# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne_02_15_mo
_database_code_depnum_ccdc_archive 'CCDC 2284420'
loop_
_audit_author_name
_audit_author_address
'Farzaneh Fadaei Tirani'
;EPFL
Switzerland
;
_audit_update_record             
;
2023-07-25 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2023-07-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H57 Au3 N6 O3'
_chemical_formula_sum            'C48 H57 Au3 N6 O3'
_chemical_formula_weight         1356.89
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C48 H57 Au3 N6 O3'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.0056(4)
_cell_length_b                   29.2892(6)
_cell_length_c                   8.03827(16)
_cell_angle_alpha                90
_cell_angle_beta                 95.696(2)
_cell_angle_gamma                90
_cell_volume                     4686.76(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18163
_cell_measurement_temperature    140.00(10)
_cell_measurement_theta_max      34.2750
_cell_measurement_theta_min      2.0370
_shelx_estimated_absorpt_T_max   0.705
_shelx_estimated_absorpt_T_min   0.113
_exptl_absorpt_coefficient_mu    9.414
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.361
_exptl_absorpt_correction_type   Gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.75a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2592
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.0210
1 0 0 0.0210
0 0 1 0.0997
0 0 -1 0.2976
0 -1 0 0.0245
0 1 0 0.0169
1 -1 0 0.0220
-1 1 0 0.0179

_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.0000 0.0000 -0.0000 -0.0319 0.0024 0.0158
1.0000 -0.0000 0.0000 0.0319 -0.0024 -0.0158
0.0000 0.0000 1.0000 0.0471 0.0012 0.0751
-0.0000 -0.0000 -1.0000 -0.0471 -0.0012 -0.0751
0.0000 -1.0000 -0.0000 -0.0012 -0.0242 0.0012
-0.0000 1.0000 0.0000 0.0012 0.0242 -0.0012
1.0000 -1.0000 0.0000 0.0306 -0.0266 -0.0146
-1.0000 1.0000 -0.0000 -0.0306 0.0266 0.0146

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            54089
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         2.046
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      140.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     10.00  44.00   0.50   10.00    --   -0.82  47.00 174.90   68
  2  ω      8.00  39.00   0.50   10.00    --   -0.82  65.00 -83.06   62
  3  ω     -3.00  25.00   0.50   10.00    --   -0.82  95.00  18.80   56
  4  ω      9.00  34.00   0.50   10.00    --   -0.82  58.00   0.18   50
  5  ω    -13.00  12.00   0.50   10.00    --   -0.82 102.00-153.41   50
  6  ω    -12.00  34.00   0.50   10.00    --  -14.00  28.00 168.21   92
  7  ω     -8.00  25.00   0.50   10.00    --  -18.00  30.00  38.77   66
  8  ω    -49.00 -24.00   0.50   10.00    --  -18.00 135.00  33.12   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0318511000
_diffrn_orient_matrix_UB_12      0.0012465000
_diffrn_orient_matrix_UB_13      0.0470848000
_diffrn_orient_matrix_UB_21      -0.0024116000
_diffrn_orient_matrix_UB_22      0.0241692000
_diffrn_orient_matrix_UB_23      0.0012453000
_diffrn_orient_matrix_UB_31      -0.0157753000
_diffrn_orient_matrix_UB_32      -0.0011874000
_diffrn_orient_matrix_UB_33      0.0750888000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10387
_reflns_number_total             14329
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         1.569
_refine_diff_density_min         -1.494
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         14329
_refine_ls_number_restraints     564
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0295
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0197P)²+6.2292P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0575
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O2A-C29 = C29-O2B
 1.2 with sigma of 0.01
 C7B-C2 \\sim C2-C7A
 with sigma of 0.02
 O3A-C45 \\sim O3B-C45
 with sigma of 0.02
 O1A-C13A \\sim O1B-C13B
 with sigma of 0.02
 C13A-C11A \\sim C11B-C13B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7A \\sim C8A \\sim C9A
\\sim C10A \\sim C11A \\sim C12A \\sim C7B \\sim C12B \\sim C11B \\sim C10B
\\sim C9B \\sim C8B \\sim C13A \\sim C13B \\sim C14 \\sim C15A \\sim C15B \\sim
C16A \\sim C16B \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22
\\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30
\\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38
\\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46
\\sim C47 \\sim C48 \\sim O1A \\sim O1B \\sim O2A \\sim O2B \\sim O3A \\sim
O3B: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01 within
2A
4. Others
 Sof(O1B)=Sof(C7B)=Sof(C12B)=Sof(H12B)=Sof(C11B)=Sof(C10B)=Sof(H10B)=Sof(C9B)=
 Sof(H9B)=Sof(C8B)=Sof(H8B)=Sof(C13B)=Sof(H13B)=1-FVAR(1)
 Sof(O1A)=Sof(C7A)=Sof(C8A)=Sof(H8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=Sof(H10A)=
 Sof(C11A)=Sof(C12A)=Sof(H12A)=Sof(C13A)=Sof(H13A)=FVAR(1)
 Sof(O2B)=Sof(H29A)=1-FVAR(2)
 Sof(O2A)=Sof(H29)=FVAR(2)
 Sof(O3B)=Sof(H45A)=1-FVAR(3)
 Sof(O3A)=Sof(H45)=FVAR(3)
 Sof(H14A)=Sof(C15B)=Sof(H15D)=Sof(H15E)=Sof(H15F)=Sof(C16B)=Sof(H16D)=
 Sof(H16E)=Sof(H16F)=1-FVAR(4)
 Sof(H14)=Sof(C15A)=Sof(H15A)=Sof(H15B)=Sof(H15C)=Sof(C16A)=Sof(H16A)=
 Sof(H16B)=Sof(H16C)=FVAR(4)
5.a Ternary CH refined with riding coordinates:
 C4(H4), C14(H14), C14(H14A), C20(H20), C30(H30), C36(H36), C46(H46)
5.b Aromatic/amide H refined with riding coordinates:
 C8A(H8A), C9A(H9A), C10A(H10A), C12A(H12A), C12B(H12B), C10B(H10B), C9B(H9B),
 C8B(H8B), C13A(H13A), C13B(H13B), C24(H24), C25(H25), C26(H26), C28(H28),
 C29(H29), C29(H29A), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45),
 C45(H45A)
5.c Fitted hexagon refined as free rotating group:
 C7A(C8A,C9A,C10A,C11A,C12A), C7B(C12B,C11B,C10B,C9B,C8B)
5.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C15A(H15A,H15B,H15C), C15B(H15D,H15E,H15F),
 C16A(H16A,H16B,H16C), C16B(H16D,H16E,H16F), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C37(H37A,H37B,H37C), C38(H38A,
 H38B,H38C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.32344(2) 0.59869(2) 0.23482(2) 0.03276(4) Uani 1 1 d . . . . .
Au2 Au 0.20502(2) 0.51766(2) 0.23798(2) 0.03445(4) Uani 1 1 d . . . . .
Au3 Au 0.31953(2) 0.51348(2) -0.03958(2) 0.03313(4) Uani 1 1 d . . . . .
O1A O 0.0822(4) 0.6693(3) 1.2576(9) 0.087(2) Uani 0.526(3) 1 d D U P A 1
O1B O 0.0038(5) 0.7338(4) 0.9691(10) 0.097(2) Uani 0.474(3) 1 d D U P A 2
O2A O 0.2003(3) 0.19427(19) -0.0851(8) 0.083(2) Uani 0.666(8) 1 d D U P B 1
O2B O 0.2547(6) 0.2321(4) 0.0378(16) 0.089(3) Uani 0.334(8) 1 d D U P B 2
O3A O 0.5759(3) 0.76229(19) -0.2362(10) 0.090(2) Uani 0.647(8) 1 d D U P C 1
O3B O 0.6566(5) 0.7524(4) -0.3284(17) 0.083(3) Uani 0.353(8) 1 d D U P C 2
N1 N 0.25414(16) 0.60239(11) 0.3984(4) 0.0350(7) Uani 1 1 d . . . . .
N2 N 0.20727(16) 0.56873(12) 0.4016(4) 0.0361(7) Uani 1 1 d . . . . .
N3 N 0.20342(17) 0.46607(11) 0.0759(4) 0.0384(8) Uani 1 1 d . . . . .
N4 N 0.25218(17) 0.46361(11) -0.0322(4) 0.0371(7) Uani 1 1 d . . . . .
N5 N 0.38904(15) 0.56198(10) -0.0467(4) 0.0333(7) Uani 1 1 d . . . . .
N6 N 0.39381(16) 0.59509(10) 0.0753(4) 0.0338(7) Uani 1 1 d . . . . .
C1 C 0.2446(2) 0.63401(15) 0.5162(5) 0.0416(9) Uani 1 1 d . U . . .
C2 C 0.1889(2) 0.62012(17) 0.5965(5) 0.0469(9) Uani 1 1 d D U . . .
C3 C 0.1673(2) 0.57916(16) 0.5212(5) 0.0430(9) Uani 1 1 d . U . . .
C4 C 0.2903(2) 0.67448(16) 0.5420(5) 0.0468(10) Uani 1 1 d . U . . .
H4 H 0.325936 0.671250 0.463957 0.056 Uiso 1 1 calc R U . . .
C5 C 0.2533(3) 0.7191(2) 0.4994(8) 0.0793(17) Uani 1 1 d . U . . .
H5A H 0.232250 0.717829 0.384013 0.119 Uiso 1 1 calc R U . . .
H5B H 0.285195 0.744554 0.510941 0.119 Uiso 1 1 calc R U . . .
H5C H 0.218570 0.723617 0.575683 0.119 Uiso 1 1 calc R U . . .
C6 C 0.3251(3) 0.67613(18) 0.7192(6) 0.0639(13) Uani 1 1 d . U . . .
H6A H 0.291491 0.680288 0.798643 0.096 Uiso 1 1 calc R U . . .
H6B H 0.356882 0.701685 0.729162 0.096 Uiso 1 1 calc R U . . .
H6C H 0.349393 0.647473 0.743823 0.096 Uiso 1 1 calc R U . . .
C7A C 0.1471(3) 0.6513(2) 0.7059(6) 0.0469(12) Uani 0.526(3) 1 d DG U P A 1
C8A C 0.1044(3) 0.6860(2) 0.6430(5) 0.0563(14) Uani 0.526(3) 1 d G U P A 1
H8A H 0.101523 0.693495 0.527514 0.068 Uiso 0.526(3) 1 calc R U P A 1
C9A C 0.0659(3) 0.7097(2) 0.7490(7) 0.0620(13) Uani 0.526(3) 1 d G U P A 1
H9A H 0.036757 0.733438 0.706028 0.074 Uiso 0.526(3) 1 calc R U P A 1
C10A C 0.0701(3) 0.6987(2) 0.9180(6) 0.0604(12) Uani 0.526(3) 1 d G U P A 1
H10A H 0.043843 0.714965 0.990451 0.072 Uiso 0.526(3) 1 calc R U P A 1
C11A C 0.1128(3) 0.6640(2) 0.9809(5) 0.0566(12) Uani 0.526(3) 1 d DG U P A 1
C12A C 0.1513(3) 0.6403(2) 0.8749(6) 0.0532(11) Uani 0.526(3) 1 d G U P A 1
H12A H 0.180459 0.616604 0.917850 0.064 Uiso 0.526(3) 1 calc R U P A 1
C7B C 0.1663(3) 0.6365(2) 0.7581(6) 0.0479(13) Uani 0.474(3) 1 d DG U P A 2
C12B C 0.1160(3) 0.6693(2) 0.7365(6) 0.0537(11) Uani 0.474(3) 1 d G U P A 2
H12B H 0.100390 0.679468 0.627292 0.064 Uiso 0.474(3) 1 calc R U P A 2
C11B C 0.0885(3) 0.6872(2) 0.8747(7) 0.0576(12) Uani 0.474(3) 1 d DG U P A 2
C10B C 0.1114(4) 0.6723(3) 1.0344(6) 0.0580(12) Uani 0.474(3) 1 d G U P A 2
H10B H 0.092574 0.684509 1.128866 0.070 Uiso 0.474(3) 1 calc R U P A 2
C9B C 0.1617(3) 0.6395(3) 1.0560(5) 0.0597(13) Uani 0.474(3) 1 d G U P A 2
H9B H 0.177321 0.629307 1.165205 0.072 Uiso 0.474(3) 1 calc R U P A 2
C8B C 0.1892(3) 0.6216(2) 0.9178(7) 0.0565(15) Uani 0.474(3) 1 d G U P A 2
H8B H 0.223602 0.599184 0.932589 0.068 Uiso 0.474(3) 1 calc R U P A 2
C13A C 0.1136(5) 0.6503(4) 1.1552(11) 0.0654(15) Uani 0.526(3) 1 d D U P A 1
H13A H 0.140409 0.624726 1.191510 0.078 Uiso 0.526(3) 1 calc R U P A 1
C13B C 0.0317(6) 0.7176(4) 0.8523(13) 0.0681(16) Uani 0.474(3) 1 d D U P A 2
H13B H 0.014821 0.725589 0.741517 0.082 Uiso 0.474(3) 1 calc R U P A 2
C14 C 0.1082(2) 0.54920(19) 0.5537(6) 0.0561(11) Uani 1 1 d . U . . .
H14 H 0.122543 0.522169 0.490031 0.067 Uiso 0.560(16) 1 calc R U P D 1
H14A H 0.107788 0.532880 0.444314 0.067 Uiso 0.440(16) 1 calc R U P D 2
C15A C 0.1162(5) 0.5265(4) 0.7230(14) 0.051(2) Uani 0.560(16) 1 d . U P D 1
H15A H 0.161030 0.512751 0.741770 0.076 Uiso 0.560(16) 1 calc R U P D 1
H15B H 0.082054 0.502636 0.727244 0.076 Uiso 0.560(16) 1 calc R U P D 1
H15C H 0.110825 0.549246 0.809962 0.076 Uiso 0.560(16) 1 calc R U P D 1
C15B C 0.1203(7) 0.5112(6) 0.644(2) 0.065(3) Uani 0.440(16) 1 d . U P D 2
H15D H 0.078507 0.500498 0.684543 0.098 Uiso 0.440(16) 1 calc R U P D 2
H15E H 0.153378 0.517760 0.739091 0.098 Uiso 0.440(16) 1 calc R U P D 2
H15F H 0.137963 0.487582 0.573764 0.098 Uiso 0.440(16) 1 calc R U P D 2
C16A C 0.0487(7) 0.5595(5) 0.440(2) 0.069(3) Uani 0.560(16) 1 d . U P D 1
H16A H 0.040614 0.592555 0.439028 0.104 Uiso 0.560(16) 1 calc R U P D 1
H16B H 0.009701 0.543747 0.477739 0.104 Uiso 0.560(16) 1 calc R U P D 1
H16C H 0.055684 0.549287 0.327044 0.104 Uiso 0.560(16) 1 calc R U P D 1
C16B C 0.0419(8) 0.5696(6) 0.5116(18) 0.050(3) Uani 0.440(16) 1 d . U P D 2
H16D H 0.035759 0.595096 0.587734 0.076 Uiso 0.440(16) 1 calc R U P D 2
H16E H 0.007075 0.546610 0.522526 0.076 Uiso 0.440(16) 1 calc R U P D 2
H16F H 0.038459 0.580922 0.396243 0.076 Uiso 0.440(16) 1 calc R U P D 2
C17 C 0.1639(2) 0.42916(14) 0.0553(5) 0.0416(9) Uani 1 1 d . U . . .
C18 C 0.1879(2) 0.40151(14) -0.0692(5) 0.0431(8) Uani 1 1 d . U . . .
C19 C 0.2436(2) 0.42451(14) -0.1198(5) 0.0431(9) Uani 1 1 d . U . . .
C20 C 0.1040(2) 0.42403(16) 0.1527(6) 0.0514(10) Uani 1 1 d . U . . .
H20 H 0.111836 0.445613 0.249033 0.062 Uiso 1 1 calc R U . . .
C21 C 0.0414(3) 0.4402(3) 0.0541(8) 0.100(2) Uani 1 1 d . U . . .
H21A H 0.004470 0.440538 0.125709 0.151 Uiso 1 1 calc R U . . .
H21B H 0.030080 0.419587 -0.040551 0.151 Uiso 1 1 calc R U . . .
H21C H 0.048388 0.471100 0.012435 0.151 Uiso 1 1 calc R U . . .
C22 C 0.0977(3) 0.3775(2) 0.2291(7) 0.0764(16) Uani 1 1 d . U . . .
H22A H 0.086173 0.355084 0.140494 0.115 Uiso 1 1 calc R U . . .
H22B H 0.062354 0.378135 0.305206 0.115 Uiso 1 1 calc R U . . .
H22C H 0.140504 0.369068 0.291525 0.115 Uiso 1 1 calc R U . . .
C23 C 0.1615(2) 0.35645(15) -0.1281(6) 0.0485(9) Uani 1 1 d . U . . .
C24 C 0.1070(3) 0.35233(19) -0.2462(7) 0.0626(11) Uani 1 1 d . U . . .
H24 H 0.085816 0.379001 -0.293465 0.075 Uiso 1 1 calc R U . . .
C25 C 0.0826(3) 0.3092(2) -0.2975(7) 0.0706(13) Uani 1 1 d . U . . .
H25 H 0.044365 0.306366 -0.376913 0.085 Uiso 1 1 calc R U . . .
C26 C 0.1150(3) 0.27113(19) -0.2310(7) 0.0683(12) Uani 1 1 d . U . . .
H26 H 0.099258 0.241852 -0.267539 0.082 Uiso 1 1 calc R U . . .
C27 C 0.1687(3) 0.27395(16) -0.1147(7) 0.0596(10) Uani 1 1 d . U . . .
C28 C 0.1916(2) 0.31652(15) -0.0632(6) 0.0518(10) Uani 1 1 d . U . . .
H28 H 0.228968 0.318696 0.018959 0.062 Uiso 1 1 calc R U . . .
C29 C 0.2064(4) 0.23293(17) -0.0488(8) 0.0704(13) Uani 1 1 d D U . . .
H29 H 0.241243 0.239102 0.037258 0.085 Uiso 0.666(8) 1 calc R U P B 1
H29A H 0.187828 0.204177 -0.083101 0.085 Uiso 0.334(8) 1 calc R U P B 2
C30 C 0.2886(3) 0.41451(16) -0.2541(6) 0.0572(11) Uani 1 1 d . U . . .
H30 H 0.327859 0.435585 -0.234154 0.069 Uiso 1 1 calc R U . . .
C31 C 0.3171(2) 0.36639(16) -0.2526(6) 0.0552(12) Uani 1 1 d . U . . .
H31A H 0.338696 0.359355 -0.140733 0.083 Uiso 1 1 calc R U . . .
H31B H 0.350271 0.364233 -0.334085 0.083 Uiso 1 1 calc R U . . .
H31C H 0.280688 0.344570 -0.281933 0.083 Uiso 1 1 calc R U . . .
C32 C 0.2542(4) 0.4265(3) -0.4220(7) 0.103(2) Uani 1 1 d . U . . .
H32A H 0.214123 0.407496 -0.445381 0.154 Uiso 1 1 calc R U . . .
H32B H 0.284966 0.421194 -0.507663 0.154 Uiso 1 1 calc R U . . .
H32C H 0.241146 0.458775 -0.423045 0.154 Uiso 1 1 calc R U . . .
C33 C 0.44110(19) 0.56691(13) -0.1397(4) 0.0330(8) Uani 1 1 d . U . . .
C34 C 0.47967(19) 0.60426(12) -0.0782(5) 0.0324(7) Uani 1 1 d . U . . .
C35 C 0.44844(19) 0.62079(13) 0.0579(5) 0.0340(8) Uani 1 1 d . U . . .
C36 C 0.4513(2) 0.53675(13) -0.2874(5) 0.0362(8) Uani 1 1 d . U . . .
H36 H 0.487316 0.551265 -0.347313 0.043 Uiso 1 1 calc R U . . .
C37 C 0.4761(2) 0.48908(14) -0.2356(5) 0.0441(10) Uani 1 1 d . U . . .
H37A H 0.517523 0.491560 -0.160029 0.066 Uiso 1 1 calc R U . . .
H37B H 0.485043 0.471686 -0.335151 0.066 Uiso 1 1 calc R U . . .
H37C H 0.441715 0.473376 -0.178268 0.066 Uiso 1 1 calc R U . . .
C38 C 0.3883(2) 0.53425(16) -0.4122(5) 0.0473(10) Uani 1 1 d . U . . .
H38A H 0.352934 0.517586 -0.361713 0.071 Uiso 1 1 calc R U . . .
H38B H 0.398985 0.518332 -0.513503 0.071 Uiso 1 1 calc R U . . .
H38C H 0.372682 0.565219 -0.441223 0.071 Uiso 1 1 calc R U . . .
C39 C 0.54131(19) 0.62221(13) -0.1415(5) 0.0338(7) Uani 1 1 d . U . . .
C40 C 0.5479(2) 0.66790(14) -0.1794(5) 0.0422(9) Uani 1 1 d . U . . .
H40 H 0.512202 0.688385 -0.164167 0.051 Uiso 1 1 calc R U . . .
C41 C 0.6065(2) 0.68437(14) -0.2400(6) 0.0464(9) Uani 1 1 d . U . . .
C42 C 0.6586(2) 0.65493(15) -0.2648(5) 0.0449(9) Uani 1 1 d . U . . .
H42 H 0.697884 0.666037 -0.308727 0.054 Uiso 1 1 calc R U . . .
C43 C 0.6533(2) 0.60942(15) -0.2253(5) 0.0431(9) Uani 1 1 d . U . . .
H43 H 0.689480 0.589259 -0.239375 0.052 Uiso 1 1 calc R U . . .
C44 C 0.5951(2) 0.59275(14) -0.1649(5) 0.0380(8) Uani 1 1 d . U . . .
H44 H 0.591708 0.561219 -0.139339 0.046 Uiso 1 1 calc R U . . .
C45 C 0.6124(3) 0.73337(17) -0.2745(8) 0.0661(12) Uani 1 1 d D U . . .
H45 H 0.649147 0.742623 -0.333010 0.079 Uiso 0.647(8) 1 calc R U P C 1
H45A H 0.575664 0.751832 -0.249725 0.079 Uiso 0.353(8) 1 calc R U P C 2
C46 C 0.4705(2) 0.65938(13) 0.1758(5) 0.0383(8) Uani 1 1 d . U . . .
H46 H 0.514129 0.670893 0.141404 0.046 Uiso 1 1 calc R U . . .
C47 C 0.4211(2) 0.69978(14) 0.1590(6) 0.0452(10) Uani 1 1 d . U . . .
H47A H 0.416163 0.710536 0.043000 0.068 Uiso 1 1 calc R U . . .
H47B H 0.438318 0.724627 0.232835 0.068 Uiso 1 1 calc R U . . .
H47C H 0.377255 0.689883 0.190518 0.068 Uiso 1 1 calc R U . . .
C48 C 0.4842(2) 0.64363(16) 0.3575(5) 0.0458(10) Uani 1 1 d . U . . .
H48A H 0.442421 0.632281 0.396872 0.069 Uiso 1 1 calc R U . . .
H48B H 0.501099 0.669372 0.427282 0.069 Uiso 1 1 calc R U . . .
H48C H 0.517712 0.619145 0.364681 0.069 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.3551(2) . ?
Au1 Au3 3.3264(2) . ?
Au1 N1 2.006(3) . ?
Au1 N6 1.999(3) . ?
Au2 Au3 3.3549(2) . ?
Au2 N2 1.989(3) . ?
Au2 N3 1.993(3) . ?
Au3 N4 1.992(3) . ?
Au3 N5 1.993(3) . ?
O1A C13A 1.219(10) . ?
O1B C13B 1.234(11) . ?
O2A C29 1.173(6) . ?
O2B C29 1.134(8) . ?
O3A C45 1.180(7) . ?
O3B C45 1.165(9) . ?
N1 N2 1.363(4) . ?
N1 C1 1.351(5) . ?
N2 C3 1.345(5) . ?
N3 N4 1.371(4) . ?
N3 C17 1.340(5) . ?
N4 C19 1.346(5) . ?
N5 N6 1.376(4) . ?
N5 C33 1.349(4) . ?
N6 C35 1.346(5) . ?
C1 C2 1.404(6) . ?
C1 C4 1.498(6) . ?
C2 C3 1.393(6) . ?
C2 C7A 1.566(5) . ?
C2 C7B 1.495(5) . ?
C3 C14 1.516(6) . ?
C4 H4 1.0000 . ?
C4 C5 1.524(7) . ?
C4 C6 1.523(6) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7A C8A 1.3900 . ?
C7A C12A 1.3900 . ?
C8A H8A 0.9500 . ?
C8A C9A 1.3900 . ?
C9A H9A 0.9500 . ?
C9A C10A 1.3900 . ?
C10A H10A 0.9500 . ?
C10A C11A 1.3900 . ?
C11A C12A 1.3900 . ?
C11A C13A 1.456(9) . ?
C12A H12A 0.9500 . ?
C7B C12B 1.3900 . ?
C7B C8B 1.3900 . ?
C12B H12B 0.9500 . ?
C12B C11B 1.3900 . ?
C11B C10B 1.3900 . ?
C11B C13B 1.441(10) . ?
C10B H10B 0.9500 . ?
C10B C9B 1.3900 . ?
C9B H9B 0.9500 . ?
C9B C8B 1.3900 . ?
C8B H8B 0.9500 . ?
C13A H13A 0.9500 . ?
C13B H13B 0.9500 . ?
C14 H14 1.0000 . ?
C14 H14A 1.0000 . ?
C14 C15A 1.509(11) . ?
C14 C15B 1.336(14) . ?
C14 C16A 1.459(14) . ?
C14 C16B 1.464(16) . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C17 C18 1.408(6) . ?
C17 C20 1.502(6) . ?
C18 C19 1.397(6) . ?
C18 C23 1.481(6) . ?
C19 C30 1.501(6) . ?
C20 H20 1.0000 . ?
C20 C21 1.492(7) . ?
C20 C22 1.505(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.378(7) . ?
C23 C28 1.393(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.402(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.371(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.355(8) . ?
C27 C28 1.377(6) . ?
C27 C29 1.487(8) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C29 H29A 0.9500 . ?
C30 H30 1.0000 . ?
C30 C31 1.520(6) . ?
C30 C32 1.494(8) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.400(5) . ?
C33 C36 1.510(5) . ?
C34 C35 1.399(5) . ?
C34 C39 1.477(5) . ?
C35 C46 1.512(5) . ?
C36 H36 1.0000 . ?
C36 C37 1.526(5) . ?
C36 C38 1.533(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.382(5) . ?
C39 C44 1.406(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.398(6) . ?
C41 C42 1.384(6) . ?
C41 C45 1.469(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.377(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.393(5) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C45 H45A 0.9500 . ?
C46 H46 1.0000 . ?
C46 C47 1.539(5) . ?
C46 C48 1.530(6) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au3 Au1 Au2 60.277(5) . . ?
N1 Au1 Au2 59.92(9) . . ?
N1 Au1 Au3 120.19(9) . . ?
N6 Au1 Au2 120.69(9) . . ?
N6 Au1 Au3 60.45(9) . . ?
N6 Au1 N1 178.95(14) . . ?
Au3 Au2 Au1 59.437(4) . . ?
N2 Au2 Au1 60.23(9) . . ?
N2 Au2 Au3 119.67(9) . . ?
N2 Au2 N3 179.35(14) . . ?
N3 Au2 Au1 119.79(9) . . ?
N3 Au2 Au3 60.36(9) . . ?
Au1 Au3 Au2 60.286(4) . . ?
N4 Au3 Au1 120.12(9) . . ?
N4 Au3 Au2 59.90(9) . . ?
N4 Au3 N5 178.29(13) . . ?
N5 Au3 Au1 60.90(8) . . ?
N5 Au3 Au2 121.18(8) . . ?
N2 N1 Au1 119.7(2) . . ?
C1 N1 Au1 130.6(3) . . ?
C1 N1 N2 109.7(3) . . ?
N1 N2 Au2 120.1(2) . . ?
C3 N2 Au2 131.9(3) . . ?
C3 N2 N1 107.9(3) . . ?
N4 N3 Au2 119.2(2) . . ?
C17 N3 Au2 131.6(3) . . ?
C17 N3 N4 109.1(3) . . ?
N3 N4 Au3 120.4(2) . . ?
C19 N4 Au3 131.3(3) . . ?
C19 N4 N3 108.3(3) . . ?
N6 N5 Au3 118.8(2) . . ?
C33 N5 Au3 132.2(3) . . ?
C33 N5 N6 108.5(3) . . ?
N5 N6 Au1 119.4(2) . . ?
C35 N6 Au1 131.9(3) . . ?
C35 N6 N5 108.7(3) . . ?
N1 C1 C2 107.3(4) . . ?
N1 C1 C4 120.9(3) . . ?
C2 C1 C4 131.8(4) . . ?
C1 C2 C7A 125.6(5) . . ?
C1 C2 C7B 128.9(5) . . ?
C3 C2 C1 106.0(4) . . ?
C3 C2 C7A 125.9(4) . . ?
C3 C2 C7B 123.1(5) . . ?
N2 C3 C2 109.0(4) . . ?
N2 C3 C14 121.4(4) . . ?
C2 C3 C14 129.6(4) . . ?
C1 C4 H4 107.5 . . ?
C1 C4 C5 111.8(4) . . ?
C1 C4 C6 111.8(4) . . ?
C5 C4 H4 107.5 . . ?
C6 C4 H4 107.5 . . ?
C6 C4 C5 110.5(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8A C7A C2 124.4(4) . . ?
C8A C7A C12A 120.0 . . ?
C12A C7A C2 115.5(4) . . ?
C7A C8A H8A 120.0 . . ?
C9A C8A C7A 120.0 . . ?
C9A C8A H8A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C8A C9A C10A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C11A C10A C9A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C10A C11A C12A 120.0 . . ?
C10A C11A C13A 120.0(5) . . ?
C12A C11A C13A 119.9(5) . . ?
C7A C12A H12A 120.0 . . ?
C11A C12A C7A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C12B C7B C2 113.0(4) . . ?
C12B C7B C8B 120.0 . . ?
C8B C7B C2 127.0(4) . . ?
C7B C12B H12B 120.0 . . ?
C7B C12B C11B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
C12B C11B C13B 120.2(6) . . ?
C10B C11B C12B 120.0 . . ?
C10B C11B C13B 119.5(6) . . ?
C11B C10B H10B 120.0 . . ?
C11B C10B C9B 120.0 . . ?
C9B C10B H10B 120.0 . . ?
C10B C9B H9B 120.0 . . ?
C8B C9B C10B 120.0 . . ?
C8B C9B H9B 120.0 . . ?
C7B C8B H8B 120.0 . . ?
C9B C8B C7B 120.0 . . ?
C9B C8B H8B 120.0 . . ?
O1A C13A C11A 124.5(9) . . ?
O1A C13A H13A 117.7 . . ?
C11A C13A H13A 117.7 . . ?
O1B C13B C11B 123.7(10) . . ?
O1B C13B H13B 118.2 . . ?
C11B C13B H13B 118.2 . . ?
C3 C14 H14 95.8 . . ?
C3 C14 H14A 93.7 . . ?
C15A C14 C3 113.3(5) . . ?
C15A C14 H14 95.8 . . ?
C15B C14 C3 118.2(7) . . ?
C15B C14 H14A 93.7 . . ?
C15B C14 C16B 125.3(9) . . ?
C16A C14 C3 112.0(6) . . ?
C16A C14 H14 95.8 . . ?
C16A C14 C15A 131.5(7) . . ?
C16B C14 C3 115.3(7) . . ?
C16B C14 H14A 93.7 . . ?
C14 C15A H15A 109.5 . . ?
C14 C15A H15B 109.5 . . ?
C14 C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C14 C15B H15D 109.5 . . ?
C14 C15B H15E 109.5 . . ?
C14 C15B H15F 109.5 . . ?
H15D C15B H15E 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
C14 C16A H16A 109.5 . . ?
C14 C16A H16B 109.5 . . ?
C14 C16A H16C 109.5 . . ?
H16A C16A H16B 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C14 C16B H16D 109.5 . . ?
C14 C16B H16E 109.5 . . ?
C14 C16B H16F 109.5 . . ?
H16D C16B H16E 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
N3 C17 C18 108.3(3) . . ?
N3 C17 C20 120.5(4) . . ?
C18 C17 C20 131.2(4) . . ?
C17 C18 C23 127.1(4) . . ?
C19 C18 C17 105.5(4) . . ?
C19 C18 C23 127.3(4) . . ?
N4 C19 C18 108.8(4) . . ?
N4 C19 C30 119.2(4) . . ?
C18 C19 C30 131.9(4) . . ?
C17 C20 H20 105.6 . . ?
C17 C20 C22 114.0(4) . . ?
C21 C20 C17 111.3(4) . . ?
C21 C20 H20 105.6 . . ?
C21 C20 C22 113.8(5) . . ?
C22 C20 H20 105.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C18 122.0(5) . . ?
C24 C23 C28 117.8(4) . . ?
C28 C23 C18 120.1(4) . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.7(6) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.6 . . ?
C26 C25 C24 118.7(6) . . ?
C26 C25 H25 120.6 . . ?
C25 C26 H26 118.9 . . ?
C27 C26 C25 122.1(5) . . ?
C27 C26 H26 118.9 . . ?
C26 C27 C28 118.6(5) . . ?
C26 C27 C29 122.4(5) . . ?
C28 C27 C29 118.9(6) . . ?
C23 C28 H28 119.0 . . ?
C27 C28 C23 122.0(5) . . ?
C27 C28 H28 119.0 . . ?
O2A C29 C27 130.9(8) . . ?
O2A C29 H29 114.5 . . ?
O2B C29 C27 127.3(9) . . ?
O2B C29 H29A 116.3 . . ?
C27 C29 H29 114.5 . . ?
C27 C29 H29A 116.3 . . ?
C19 C30 H30 106.4 . . ?
C19 C30 C31 115.3(4) . . ?
C31 C30 H30 106.4 . . ?
C32 C30 C19 110.4(5) . . ?
C32 C30 H30 106.4 . . ?
C32 C30 C31 111.3(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N5 C33 C34 108.5(3) . . ?
N5 C33 C36 123.1(3) . . ?
C34 C33 C36 128.4(3) . . ?
C33 C34 C39 127.3(3) . . ?
C35 C34 C33 105.8(3) . . ?
C35 C34 C39 126.8(4) . . ?
N6 C35 C34 108.5(3) . . ?
N6 C35 C46 122.9(3) . . ?
C34 C35 C46 128.6(3) . . ?
C33 C36 H36 106.9 . . ?
C33 C36 C37 112.7(3) . . ?
C33 C36 C38 112.1(3) . . ?
C37 C36 H36 106.9 . . ?
C37 C36 C38 111.0(4) . . ?
C38 C36 H36 106.9 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C34 121.5(3) . . ?
C40 C39 C44 118.3(4) . . ?
C44 C39 C34 120.2(3) . . ?
C39 C40 H40 119.6 . . ?
C39 C40 C41 120.8(4) . . ?
C41 C40 H40 119.6 . . ?
C40 C41 C45 119.3(4) . . ?
C42 C41 C40 120.3(4) . . ?
C42 C41 C45 120.3(4) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.5(4) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.4(4) . . ?
C44 C43 H43 119.8 . . ?
C39 C44 H44 119.7 . . ?
C43 C44 C39 120.5(4) . . ?
C43 C44 H44 119.7 . . ?
O3A C45 C41 126.0(5) . . ?
O3A C45 H45 117.0 . . ?
O3B C45 C41 128.2(7) . . ?
O3B C45 H45A 115.9 . . ?
C41 C45 H45 117.0 . . ?
C41 C45 H45A 115.9 . . ?
C35 C46 H46 106.7 . . ?
C35 C46 C47 112.0(3) . . ?
C35 C46 C48 112.7(3) . . ?
C47 C46 H46 106.7 . . ?
C48 C46 H46 106.7 . . ?
C48 C46 C47 111.6(3) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 -2.8(4) . . . . ?
Au1 N1 N2 C3 179.9(3) . . . . ?
Au1 N1 C1 C2 -179.9(3) . . . . ?
Au1 N1 C1 C4 -0.5(6) . . . . ?
Au1 N6 C35 C34 -178.1(3) . . . . ?
Au1 N6 C35 C46 4.1(6) . . . . ?
Au2 N2 C3 C2 -177.1(3) . . . . ?
Au2 N2 C3 C14 1.1(6) . . . . ?
Au2 N3 N4 Au3 -4.8(4) . . . . ?
Au2 N3 N4 C19 175.6(3) . . . . ?
Au2 N3 C17 C18 -175.2(3) . . . . ?
Au2 N3 C17 C20 7.2(6) . . . . ?
Au3 N4 C19 C18 -178.9(3) . . . . ?
Au3 N4 C19 C30 -2.7(6) . . . . ?
Au3 N5 N6 Au1 -8.6(4) . . . . ?
Au3 N5 N6 C35 172.9(2) . . . . ?
Au3 N5 C33 C34 -171.9(3) . . . . ?
Au3 N5 C33 C36 9.9(5) . . . . ?
N1 N2 C3 C2 -0.1(5) . . . . ?
N1 N2 C3 C14 178.1(4) . . . . ?
N1 C1 C2 C3 0.6(5) . . . . ?
N1 C1 C2 C7A -162.5(4) . . . . ?
N1 C1 C2 C7B 164.9(5) . . . . ?
N1 C1 C4 C5 115.1(5) . . . . ?
N1 C1 C4 C6 -120.4(5) . . . . ?
N2 N1 C1 C2 -0.7(5) . . . . ?
N2 N1 C1 C4 178.8(4) . . . . ?
N2 C3 C14 C15A 114.2(7) . . . . ?
N2 C3 C14 C15B 79.6(12) . . . . ?
N2 C3 C14 C16A -83.5(9) . . . . ?
N2 C3 C14 C16B -112.4(8) . . . . ?
N3 N4 C19 C18 0.7(5) . . . . ?
N3 N4 C19 C30 176.9(4) . . . . ?
N3 C17 C18 C19 -0.1(5) . . . . ?
N3 C17 C18 C23 177.3(4) . . . . ?
N3 C17 C20 C21 95.7(6) . . . . ?
N3 C17 C20 C22 -133.9(5) . . . . ?
N4 N3 C17 C18 0.5(5) . . . . ?
N4 N3 C17 C20 -177.1(4) . . . . ?
N4 C19 C30 C31 133.9(5) . . . . ?
N4 C19 C30 C32 -98.8(6) . . . . ?
N5 N6 C35 C34 0.3(4) . . . . ?
N5 N6 C35 C46 -177.6(3) . . . . ?
N5 C33 C34 C35 1.0(4) . . . . ?
N5 C33 C34 C39 -180.0(3) . . . . ?
N5 C33 C36 C37 -74.1(5) . . . . ?
N5 C33 C36 C38 52.1(5) . . . . ?
N6 N5 C33 C34 -0.8(4) . . . . ?
N6 N5 C33 C36 -179.0(3) . . . . ?
N6 C35 C46 C47 -68.5(5) . . . . ?
N6 C35 C46 C48 58.3(5) . . . . ?
C1 N1 N2 Au2 177.9(3) . . . . ?
C1 N1 N2 C3 0.5(4) . . . . ?
C1 C2 C3 N2 -0.3(5) . . . . ?
C1 C2 C3 C14 -178.3(5) . . . . ?
C1 C2 C7A C8A 70.8(7) . . . . ?
C1 C2 C7A C12A -113.4(5) . . . . ?
C1 C2 C7B C12B 97.7(6) . . . . ?
C1 C2 C7B C8B -83.9(8) . . . . ?
C2 C1 C4 C5 -65.5(7) . . . . ?
C2 C1 C4 C6 58.9(7) . . . . ?
C2 C3 C14 C15A -68.1(8) . . . . ?
C2 C3 C14 C15B -102.7(12) . . . . ?
C2 C3 C14 C16A 94.2(9) . . . . ?
C2 C3 C14 C16B 65.4(9) . . . . ?
C2 C7A C8A C9A 175.6(6) . . . . ?
C2 C7A C12A C11A -175.9(6) . . . . ?
C2 C7B C12B C11B 178.5(6) . . . . ?
C2 C7B C8B C9B -178.3(7) . . . . ?
C3 C2 C7A C8A -89.0(6) . . . . ?
C3 C2 C7A C12A 86.8(6) . . . . ?
C3 C2 C7B C12B -100.4(6) . . . . ?
C3 C2 C7B C8B 78.0(7) . . . . ?
C4 C1 C2 C3 -178.8(5) . . . . ?
C4 C1 C2 C7A 18.1(8) . . . . ?
C4 C1 C2 C7B -14.5(9) . . . . ?
C7A C2 C3 N2 162.7(4) . . . . ?
C7A C2 C3 C14 -15.3(8) . . . . ?
C7A C8A C9A C10A 0.0 . . . . ?
C8A C7A C12A C11A 0.0 . . . . ?
C8A C9A C10A C11A 0.0 . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C9A C10A C11A C13A -175.5(8) . . . . ?
C10A C11A C12A C7A 0.0 . . . . ?
C10A C11A C13A O1A -5.4(14) . . . . ?
C12A C7A C8A C9A 0.0 . . . . ?
C12A C11A C13A O1A 179.1(9) . . . . ?
C7B C2 C3 N2 -165.7(4) . . . . ?
C7B C2 C3 C14 16.3(8) . . . . ?
C7B C12B C11B C10B 0.0 . . . . ?
C7B C12B C11B C13B -173.6(9) . . . . ?
C12B C7B C8B C9B 0.0 . . . . ?
C12B C11B C10B C9B 0.0 . . . . ?
C12B C11B C13B O1B 178.2(11) . . . . ?
C11B C10B C9B C8B 0.0 . . . . ?
C10B C11B C13B O1B 4.6(17) . . . . ?
C10B C9B C8B C7B 0.0 . . . . ?
C8B C7B C12B C11B 0.0 . . . . ?
C13A C11A C12A C7A 175.5(8) . . . . ?
C13B C11B C10B C9B 173.6(9) . . . . ?
C17 N3 N4 Au3 178.9(3) . . . . ?
C17 N3 N4 C19 -0.8(5) . . . . ?
C17 C18 C19 N4 -0.4(5) . . . . ?
C17 C18 C19 C30 -176.0(5) . . . . ?
C17 C18 C23 C24 83.1(6) . . . . ?
C17 C18 C23 C28 -96.6(6) . . . . ?
C18 C17 C20 C21 -81.3(7) . . . . ?
C18 C17 C20 C22 49.1(7) . . . . ?
C18 C19 C30 C31 -50.9(8) . . . . ?
C18 C19 C30 C32 76.4(7) . . . . ?
C18 C23 C24 C25 -179.0(4) . . . . ?
C18 C23 C28 C27 -179.9(4) . . . . ?
C19 C18 C23 C24 -100.1(6) . . . . ?
C19 C18 C23 C28 80.2(6) . . . . ?
C20 C17 C18 C19 177.2(5) . . . . ?
C20 C17 C18 C23 -5.4(8) . . . . ?
C23 C18 C19 N4 -177.8(4) . . . . ?
C23 C18 C19 C30 6.7(8) . . . . ?
C23 C24 C25 C26 -1.6(8) . . . . ?
C24 C23 C28 C27 0.4(7) . . . . ?
C24 C25 C26 C27 1.6(8) . . . . ?
C25 C26 C27 C28 -0.5(7) . . . . ?
C25 C26 C27 C29 -176.6(5) . . . . ?
C26 C27 C28 C23 -0.5(7) . . . . ?
C26 C27 C29 O2A 3.8(10) . . . . ?
C26 C27 C29 O2B 173.2(10) . . . . ?
C28 C23 C24 C25 0.6(7) . . . . ?
C28 C27 C29 O2A -172.3(6) . . . . ?
C28 C27 C29 O2B -2.9(12) . . . . ?
C29 C27 C28 C23 175.7(4) . . . . ?
C33 N5 N6 Au1 178.9(2) . . . . ?
C33 N5 N6 C35 0.4(4) . . . . ?
C33 C34 C35 N6 -0.7(4) . . . . ?
C33 C34 C35 C46 176.9(4) . . . . ?
C33 C34 C39 C40 128.6(4) . . . . ?
C33 C34 C39 C44 -51.3(6) . . . . ?
C34 C33 C36 C37 108.2(5) . . . . ?
C34 C33 C36 C38 -125.7(4) . . . . ?
C34 C35 C46 C47 114.2(4) . . . . ?
C34 C35 C46 C48 -119.0(4) . . . . ?
C34 C39 C40 C41 -179.7(4) . . . . ?
C34 C39 C44 C43 179.7(4) . . . . ?
C35 C34 C39 C40 -52.5(6) . . . . ?
C35 C34 C39 C44 127.6(4) . . . . ?
C36 C33 C34 C35 179.0(4) . . . . ?
C36 C33 C34 C39 -2.0(6) . . . . ?
C39 C34 C35 N6 -179.8(3) . . . . ?
C39 C34 C35 C46 -2.1(6) . . . . ?
C39 C40 C41 C42 0.7(7) . . . . ?
C39 C40 C41 C45 -178.3(5) . . . . ?
C40 C39 C44 C43 -0.2(6) . . . . ?
C40 C41 C42 C43 -1.7(7) . . . . ?
C40 C41 C45 O3A 10.5(10) . . . . ?
C40 C41 C45 O3B -178.1(11) . . . . ?
C41 C42 C43 C44 1.7(7) . . . . ?
C42 C41 C45 O3A -168.6(7) . . . . ?
C42 C41 C45 O3B 2.9(13) . . . . ?
C42 C43 C44 C39 -0.7(6) . . . . ?
C44 C39 C40 C41 0.2(6) . . . . ?
C45 C41 C42 C43 177.4(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 1.190
_oxdiff_exptl_absorpt_empirical_full_min 0.776
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne0245
_database_code_depnum_ccdc_archive 'CCDC 2284422'
loop_
_audit_author_name
_audit_author_address
'Farzaneh Fadaei Tirani'
;EPFL
Switzerland
;
_audit_update_record             
;
2024-01-14 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2024-01-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H57 Au3 N6 O3, 1.25[CH2Cl2]'
_chemical_formula_sum            'C49.25 H59.50 Au3 Cl2.50 N6 O3'
_chemical_formula_weight         1463.05
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C49.25 H59.50 Au3 Cl2.50 N6 O3'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3005(6)
_cell_length_b                   17.0876(10)
_cell_length_c                   19.6636(9)
_cell_angle_alpha                68.300(5)
_cell_angle_beta                 87.800(5)
_cell_angle_gamma                82.613(5)
_cell_volume                     2569.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    229.99(10)
_cell_measurement_theta_max      72.1590
_cell_measurement_theta_min      2.3880
_shelx_estimated_absorpt_T_max   0.874
_shelx_estimated_absorpt_T_min   0.054
_exptl_absorpt_coefficient_mu    17.334
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   Gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1401
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 -1 0.0101
0 0 1 0.0011
0 1 0 0.0042
0 -1 0 0.0042
-1 0 0 0.1881
1 0 0 0.2125

_exptl_crystal_size_max          0.406
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.008
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0000 0.0002 -1.0010 -0.0086 0.0299 0.0785
-0.0000 -0.0002 1.0010 0.0086 -0.0299 -0.0785
0.0001 0.9992 -0.0010 0.0865 0.0204 0.0405
-0.0001 -0.9992 0.0010 -0.0865 -0.0204 -0.0405
-0.9995 0.0002 0.0010 0.0331 -0.1701 0.0705
0.9995 -0.0002 -0.0010 -0.0331 0.1701 -0.0705

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0979
_diffrn_reflns_av_unetI/netI     0.1046
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34529
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        66.601
_diffrn_reflns_theta_max         66.601
_diffrn_reflns_theta_min         2.418
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      229.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     68.00  94.00   0.50    2.00    --   66.15  28.00  21.00   52
  2  ω   -105.00 -68.00   0.50    2.00    --  -66.74 -28.00-140.00   74
  3  ω   -117.00 -92.00   0.50    2.00    --  -69.40 -28.00-140.00   50
  4  ω     85.00 111.00   0.50    2.00    --   69.60  28.00  21.00   52
  5  ω     81.00 126.00   0.50    2.00    --   78.02  28.00  21.00   90
  6  ω     44.00 105.00   0.50    2.00    --   66.15  15.00   0.00  122
  7  ω     28.00  56.00   0.50    2.00    --   66.15 -95.00 120.00   56
  8  ω   -104.00 -74.00   0.50    2.00    --  -66.74   0.00  60.00   60
  9  ω   -104.00 -78.00   0.50    2.00    --  -66.74   0.00-180.00   52
 10  ω   -103.00 -73.00   0.50    2.00    --  -66.74   0.00  90.00   60
 11  ω   -104.00 -73.00   0.50    2.00    --  -66.74   0.00 150.00   62
 12  ω    -66.00 -25.00   0.50    2.00    --  -66.74 125.00  30.00   82
 13  ω   -104.00 -74.00   0.50    2.00    --  -66.74   0.00 -60.00   60
 14  ω    -96.00 -71.00   0.50    2.00    --  -69.40 125.00 150.00   50
 15  ω   -104.00 -79.00   0.50    2.00    --  -69.40   0.00 -30.00   50
 16  ω    -64.00 -35.00   0.50    2.00    --  -69.40 125.00 150.00   58
 17  ω     38.00 115.00   0.50    2.00    --   69.60  15.00 120.00  154
 18  ω     32.00  87.00   0.50    2.00    --   69.60-125.00-150.00  110
 19  ω     32.00  57.00   0.50    2.00    --   69.60 -95.00 -30.00   50
 20  ω     40.00  66.00   0.50    2.00    --   69.60 -95.00  30.00   52
 21  ω     40.00  78.00   0.50    2.00    --   69.60 -95.00   0.00   76
 22  ω     45.00  71.00   0.50    2.00    --   69.60 -95.00 120.00   52
 23  ω     35.00  74.00   0.50    2.00    --   69.60 -95.00  60.00   78
 24  ω   -119.00 -67.00   0.50    2.00    --  -74.00 152.00-159.57  104
 25  ω    -65.00 -40.00   0.50    2.00    --  -74.85 144.00  56.00   50
 26  ω   -114.00 -69.00   0.50    2.00    --  -74.85 144.00  56.00   90
 27  ω    -77.00 -47.00   0.50    2.00    --  -74.85 142.00 -69.21   60
 28  ω   -113.00 -83.00   0.50    2.00    --  -74.85 142.00 -69.21   60
 29  ω   -114.00 -44.00   0.50    2.00    --  -74.85 144.00 157.28  140
 30  ω     47.00 121.00   0.50    2.00    --   78.02  15.00 -90.00  148
 31  ω     43.00 105.00   0.50    2.00    --   78.02-125.00-120.00  124
 32  ω     42.00  67.00   0.50    2.00    --   78.02-125.00 -90.00   50
 33  ω     37.00 104.00   0.50    2.00    --   78.02-125.00-150.00  134
 34  ω     39.00 105.00   0.50    2.00    --   78.02-125.00 120.00  132
 35  ω     80.00 105.00   0.50    2.00    --   78.02-125.00 -30.00   50
 36  ω     41.00  66.00   0.50    2.00    --   78.02-125.00 -30.00   50
 37  ω     46.00 105.00   0.50    2.00    --   78.02-125.00   0.00  118
 38  ω     88.00 123.00   0.50    2.00    --   78.02  15.00-180.00   70
 39  ω     56.00 105.00   0.50    2.00    --   78.02-125.00 -60.00   98
 40  ω     58.00  84.00   0.50    2.00    --   78.02  15.00-180.00   52
 41  ω     59.00 118.00   0.50    2.00    --   78.02  15.00 -30.00  118
 42  ω     80.00 105.00   0.50    2.00    --   78.02-125.00 150.00   50
 43  ω     80.00 105.00   0.50    2.00    --   78.02-125.00  60.00   50
 44  ω     40.00  66.00   0.50    2.00    --   78.02 -95.00  60.00   52
 45  ω     44.00  71.00   0.50    2.00    --   78.02-125.00  60.00   54
 46  ω     88.00 113.00   0.50    2.00    --   78.02  15.00 120.00   50
 47  ω     49.00  76.00   0.50    2.00    --   78.02-125.00-180.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0331178000
_diffrn_orient_matrix_UB_12      0.0866310000
_diffrn_orient_matrix_UB_13      0.0086335000
_diffrn_orient_matrix_UB_21      0.1701534000
_diffrn_orient_matrix_UB_22      0.0204049000
_diffrn_orient_matrix_UB_23      -0.0299032000
_diffrn_orient_matrix_UB_31      -0.0705708000
_diffrn_orient_matrix_UB_32      0.0404882000
_diffrn_orient_matrix_UB_33      -0.0783715000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5489
_reflns_number_total             9020
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         1.914
_refine_diff_density_min         -2.617
_refine_diff_density_rms         0.311
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         9020
_refine_ls_number_restraints     649
_refine_ls_R_factor_all          0.1083
_refine_ls_R_factor_gt           0.0609
_refine_ls_restrained_S_all      0.979
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1169P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1994
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C39-C34 = C29-C26
 1.5 with sigma of 0.02
 O2A-C29 = O2B-C29
 1.2 with sigma of 0.02
 C38A-C36 = C38B-C36 = C37A-C36 = C37B-C36
 1.54 with sigma of 0.02
 O3A-C45 \\sim O3B-C45
 with sigma of 0.01
 O1A-C13 \\sim O1B-C13
 with sigma of 0.01
 C38A-C37A \\sim C38B-C37B
 with sigma of 0.02
3. Restrained planarity
 O2A, C23, C24, C25, C26, C27, C28, C29
 with sigma of 0.1
 O1A, O1B, C7, C8, C9, C10, C11, C12, C13
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
O1A \\sim O1B \\sim O2A \\sim O2B \\sim O3A \\sim O3B \\sim C13 \\sim C29 \\sim
C45: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01 within
2A
C36 \\sim C37A \\sim C37B \\sim C38A \\sim C38B: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01 within 2A
C46 \\sim C47 \\sim C48: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01 within 2A
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(O3B)=Sof(H45A)=1-FVAR(1)
 Sof(O3A)=Sof(H45)=FVAR(1)
 Sof(O1B)=Sof(H13A)=1-FVAR(2)
 Sof(O1A)=Sof(H13)=FVAR(2)
 Sof(O2B)=Sof(H29A)=1-FVAR(3)
 Sof(O2A)=Sof(H29)=FVAR(3)
 Sof(H36A)=Sof(C37B)=Sof(H37D)=Sof(H37E)=Sof(H37F)=Sof(C38B)=Sof(H38D)=
 Sof(H38E)=Sof(H38F)=1-FVAR(4)
 Sof(H36)=Sof(C37A)=Sof(H37A)=Sof(H37B)=Sof(H37C)=Sof(C38A)=Sof(H38A)=
 Sof(H38B)=Sof(H38C)=FVAR(4)
7.a Ternary CH refined with riding coordinates:
 C4(H4), C14(H14), C20(H20), C30(H30), C36(H36), C36(H36A), C46(H46)
7.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C11(H11), C9(H9), C8(H8), C13(H13), C13(H13A), C28(H28), C27(H27),
 C25(H25), C24(H24), C29(H29), C29(H29A), C44(H44), C43(H43), C41(H41),
 C40(H40), C45(H45), C45(H45A)
7.c Fitted hexagon refined as free rotating group:
 C7(C12,C11,C10,C9,C8), C23(C28,C27,C26,C25,C24), C39(C44,C43,C42,C41,C40)
7.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C),
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C37A(H37A,H37B,H37C), C37B(H37D,H37E,H37F), C38A(H38A,H38B,H38C),
 C38B(H38D,H38E,H38F), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.32221(8) 0.28562(4) 0.42660(3) 0.0475(2) Uani 1 1 d . . . . .
Au2 Au 0.01602(8) 0.43631(4) 0.35193(3) 0.0468(2) Uani 1 1 d . . . . .
Au3 Au 0.31881(8) 0.39846(4) 0.24645(3) 0.0501(2) Uani 1 1 d . . . . .
O1A O -0.3607(15) 0.2463(11) 0.8977(7) 0.081(4) Uani 0.842(19) 1 d D U P A 1
O1B O -0.361(4) 0.133(3) 0.905(3) 0.084(6) Uani 0.158(19) 1 d D U P A 2
O2A O -0.217(3) 0.9517(12) -0.1459(9) 0.141(8) Uani 0.77(2) 1 d D U P B 1
O2B O -0.438(5) 0.907(5) -0.129(3) 0.144(10) Uani 0.23(2) 1 d D U P B 2
O3A O 1.486(3) 0.0658(16) 0.2915(16) 0.094(5) Uani 0.54(2) 1 d D U P C 1
O3B O 1.375(4) -0.0287(18) 0.3014(19) 0.096(6) Uani 0.46(2) 1 d D U P C 2
N1 N 0.1384(16) 0.3094(8) 0.4891(6) 0.053(3) Uani 1 1 d . . . . .
N2 N 0.0096(15) 0.3678(9) 0.4579(6) 0.053(3) Uani 1 1 d . . . . .
N3 N 0.0173(15) 0.5073(10) 0.2457(7) 0.065(4) Uani 1 1 d . . . . .
N4 N 0.1321(15) 0.4885(8) 0.2000(6) 0.052(3) Uani 1 1 d . . . . .
N5 N 0.5092(14) 0.3094(8) 0.2925(6) 0.044(3) Uani 1 1 d . . . . .
N6 N 0.5103(15) 0.2663(9) 0.3643(6) 0.057(3) Uani 1 1 d . . . . .
C1 C 0.1117(19) 0.2708(10) 0.5611(7) 0.048(3) Uani 1 1 d . . . . .
C2 C -0.0381(18) 0.3060(11) 0.5765(7) 0.052(4) Uani 1 1 d . . . . .
C3 C -0.0982(19) 0.3656(10) 0.5112(7) 0.049(3) Uani 1 1 d . . . . .
C4 C 0.232(2) 0.2011(11) 0.6131(8) 0.056(4) Uani 1 1 d . . . . .
H4 H 0.185693 0.187074 0.662660 0.067 Uiso 1 1 calc R U . . .
C5 C 0.249(2) 0.1198(11) 0.5973(10) 0.072(5) Uani 1 1 d . . . . .
H5A H 0.144358 0.098822 0.602654 0.108 Uiso 1 1 calc R U . . .
H5B H 0.326376 0.077492 0.631528 0.108 Uiso 1 1 calc R U . . .
H5C H 0.287295 0.131241 0.547732 0.108 Uiso 1 1 calc R U . . .
C6 C 0.397(2) 0.2361(12) 0.6154(8) 0.067(4) Uani 1 1 d . . . . .
H6A H 0.446990 0.251155 0.567623 0.101 Uiso 1 1 calc R U . . .
H6B H 0.468864 0.192809 0.651528 0.101 Uiso 1 1 calc R U . . .
H6C H 0.375980 0.285920 0.628394 0.101 Uiso 1 1 calc R U . . .
C7 C -0.1188(11) 0.2814(6) 0.6502(4) 0.049(3) Uani 1 1 d G . . . .
C12 C -0.1559(13) 0.3402(5) 0.6838(5) 0.057(4) Uani 1 1 d G . . . .
H12 H -0.135338 0.396628 0.659519 0.069 Uiso 1 1 calc R U . . .
C11 C -0.2234(12) 0.3153(6) 0.7532(5) 0.075(5) Uani 1 1 d G . . . .
H11 H -0.248544 0.355051 0.775898 0.090 Uiso 1 1 calc R U . . .
C10 C -0.2538(9) 0.2318(7) 0.7890(3) 0.065(4) Uani 1 1 d G . . . .
C9 C -0.2167(13) 0.1731(5) 0.7555(5) 0.077(6) Uani 1 1 d G . . . .
H9 H -0.237272 0.116648 0.779704 0.093 Uiso 1 1 calc R U . . .
C8 C -0.1492(14) 0.1979(6) 0.6860(5) 0.070(5) Uani 1 1 d G . . . .
H8 H -0.124067 0.158224 0.663325 0.083 Uiso 1 1 calc R U . . .
C13 C -0.3247(16) 0.2006(14) 0.8638(9) 0.082(4) Uani 1 1 d D U . . .
H13 H -0.341729 0.143223 0.885270 0.099 Uiso 0.842(19) 1 calc R U P A 1
H13A H -0.345784 0.243176 0.883609 0.099 Uiso 0.158(19) 1 calc R U P A 2
C14 C -0.2607(19) 0.4235(11) 0.4946(8) 0.053(3) Uani 1 1 d . . . . .
H14 H -0.322960 0.407812 0.540662 0.064 Uiso 1 1 calc R U . . .
C15 C -0.361(2) 0.4098(12) 0.4391(9) 0.068(5) Uani 1 1 d . . . . .
H15A H -0.465312 0.444471 0.433186 0.102 Uiso 1 1 calc R U . . .
H15B H -0.377190 0.350451 0.455647 0.102 Uiso 1 1 calc R U . . .
H15C H -0.304925 0.425641 0.392655 0.102 Uiso 1 1 calc R U . . .
C16 C -0.238(2) 0.5155(10) 0.4727(9) 0.061(4) Uani 1 1 d . . . . .
H16A H -0.157625 0.530092 0.434562 0.092 Uiso 1 1 calc R U . . .
H16B H -0.202316 0.525436 0.514899 0.092 Uiso 1 1 calc R U . . .
H16C H -0.340786 0.550482 0.454693 0.092 Uiso 1 1 calc R U . . .
C17 C -0.0819(18) 0.5753(11) 0.2058(8) 0.053(4) Uani 1 1 d . . . . .
C18 C -0.031(2) 0.6015(11) 0.1320(8) 0.056(4) Uani 1 1 d . . . . .
C19 C 0.1020(18) 0.5448(10) 0.1324(7) 0.048(3) Uani 1 1 d . . . . .
C20 C -0.221(2) 0.6120(13) 0.2434(9) 0.072(5) Uani 1 1 d . . . . .
H20 H -0.187135 0.593800 0.295150 0.086 Uiso 1 1 calc R U . . .
C21 C -0.373(2) 0.5705(16) 0.2448(11) 0.098(7) Uani 1 1 d . . . . .
H21A H -0.412312 0.585894 0.195167 0.147 Uiso 1 1 calc R U . . .
H21B H -0.456019 0.589724 0.273090 0.147 Uiso 1 1 calc R U . . .
H21C H -0.347361 0.509329 0.267029 0.147 Uiso 1 1 calc R U . . .
C22 C -0.247(3) 0.7087(13) 0.2147(9) 0.087(6) Uani 1 1 d . . . . .
H22A H -0.145948 0.729569 0.219173 0.131 Uiso 1 1 calc R U . . .
H22B H -0.330324 0.727591 0.242981 0.131 Uiso 1 1 calc R U . . .
H22C H -0.280081 0.730436 0.163647 0.131 Uiso 1 1 calc R U . . .
C23 C -0.0996(12) 0.6735(6) 0.0669(5) 0.058(4) Uani 1 1 d G . . . .
C28 C -0.0012(11) 0.7349(8) 0.0280(6) 0.085(6) Uani 1 1 d G . . . .
H28 H 0.109077 0.727932 0.040923 0.102 Uiso 1 1 calc R U . . .
C27 C -0.0658(16) 0.8066(7) -0.0299(6) 0.114(9) Uani 1 1 d G . . . .
H27 H 0.000759 0.848120 -0.056174 0.136 Uiso 1 1 calc R U . . .
C26 C -0.2289(16) 0.8169(6) -0.0490(5) 0.103(8) Uani 1 1 d DG . . . .
C25 C -0.3273(11) 0.7555(8) -0.0101(6) 0.089(6) Uani 1 1 d G . . . .
H25 H -0.437550 0.762439 -0.022982 0.107 Uiso 1 1 calc R U . . .
C24 C -0.2627(12) 0.6838(7) 0.0478(6) 0.068(5) Uani 1 1 d G . . . .
H24 H -0.329235 0.642250 0.074116 0.082 Uiso 1 1 calc R U . . .
C29 C -0.296(3) 0.8966(11) -0.1119(8) 0.142(8) Uani 1 1 d D U . . .
H29 H -0.406161 0.902860 -0.124784 0.171 Uiso 0.77(2) 1 calc R U P B 1
H29A H -0.227624 0.937536 -0.137292 0.171 Uiso 0.23(2) 1 calc R U P B 2
C30 C 0.2062(18) 0.5388(11) 0.0677(7) 0.051(3) Uani 1 1 d . . . . .
H30 H 0.152343 0.581649 0.022958 0.061 Uiso 1 1 calc R U . . .
C31 C 0.206(2) 0.4533(12) 0.0604(9) 0.072(5) Uani 1 1 d . . . . .
H31A H 0.261297 0.409095 0.102337 0.108 Uiso 1 1 calc R U . . .
H31B H 0.261734 0.453949 0.015974 0.108 Uiso 1 1 calc R U . . .
H31C H 0.094860 0.442408 0.058246 0.108 Uiso 1 1 calc R U . . .
C32 C 0.3759(19) 0.5638(12) 0.0701(9) 0.067(5) Uani 1 1 d . . . . .
H32A H 0.366487 0.621879 0.067819 0.101 Uiso 1 1 calc R U . . .
H32B H 0.438197 0.558993 0.028773 0.101 Uiso 1 1 calc R U . . .
H32C H 0.430619 0.526311 0.115303 0.101 Uiso 1 1 calc R U . . .
C33 C 0.6484(18) 0.2851(11) 0.2626(8) 0.054(4) Uani 1 1 d . . . . .
C34 C 0.7366(16) 0.2246(11) 0.3192(8) 0.055(4) Uani 1 1 d D . . . .
C35 C 0.6471(19) 0.2138(12) 0.3816(8) 0.057(4) Uani 1 1 d . . . . .
C36 C 0.671(2) 0.3289(11) 0.1808(8) 0.068(4) Uani 1 1 d D U . . .
H36 H 0.579872 0.374734 0.161616 0.082 Uiso 0.65(3) 1 calc R U P D 1
H36A H 0.561902 0.349747 0.158028 0.082 Uiso 0.35(3) 1 calc R U P D 2
C37A C 0.830(3) 0.369(2) 0.1657(15) 0.074(5) Uani 0.65(3) 1 d D U P D 1
H37A H 0.830197 0.407523 0.191996 0.111 Uiso 0.65(3) 1 calc R U P D 1
H37B H 0.838834 0.400928 0.113649 0.111 Uiso 0.65(3) 1 calc R U P D 1
H37C H 0.921501 0.325213 0.182037 0.111 Uiso 0.65(3) 1 calc R U P D 1
C37B C 0.762(7) 0.408(3) 0.166(3) 0.071(6) Uani 0.35(3) 1 d D U P D 2
H37D H 0.684437 0.456270 0.164029 0.107 Uiso 0.35(3) 1 calc R U P D 2
H37E H 0.819294 0.420515 0.120186 0.107 Uiso 0.35(3) 1 calc R U P D 2
H37F H 0.839721 0.395925 0.205621 0.107 Uiso 0.35(3) 1 calc R U P D 2
C38A C 0.661(4) 0.2629(16) 0.1451(14) 0.073(5) Uani 0.65(3) 1 d D U P D 1
H38A H 0.743424 0.214822 0.166571 0.110 Uiso 0.65(3) 1 calc R U P D 1
H38B H 0.679097 0.288569 0.092875 0.110 Uiso 0.65(3) 1 calc R U P D 1
H38C H 0.554446 0.243754 0.153413 0.110 Uiso 0.65(3) 1 calc R U P D 1
C38B C 0.757(8) 0.267(3) 0.146(3) 0.074(5) Uani 0.35(3) 1 d D U P D 2
H38D H 0.872514 0.257418 0.156978 0.110 Uiso 0.35(3) 1 calc R U P D 2
H38E H 0.741260 0.292197 0.092991 0.110 Uiso 0.35(3) 1 calc R U P D 2
H38F H 0.711745 0.213967 0.164981 0.110 Uiso 0.35(3) 1 calc R U P D 2
C39 C 0.9010(10) 0.1783(6) 0.3123(6) 0.050(3) Uani 1 1 d DG . . . .
C44 C 0.9057(10) 0.1011(6) 0.3033(6) 0.061(4) Uani 1 1 d G . . . .
H44 H 0.808477 0.079711 0.300393 0.073 Uiso 1 1 calc R U . . .
C43 C 1.0543(13) 0.0555(6) 0.2986(6) 0.078(5) Uani 1 1 d G . . . .
H43 H 1.057429 0.003297 0.292580 0.094 Uiso 1 1 calc R U . . .
C42 C 1.1981(10) 0.0872(7) 0.3030(6) 0.065(4) Uani 1 1 d G . . . .
C41 C 1.1934(10) 0.1644(7) 0.3119(6) 0.076(5) Uani 1 1 d G . . . .
H41 H 1.290645 0.185765 0.314839 0.091 Uiso 1 1 calc R U . . .
C40 C 1.0449(13) 0.2100(6) 0.3166(6) 0.075(5) Uani 1 1 d G . . . .
H40 H 1.041694 0.262180 0.322652 0.090 Uiso 1 1 calc R U . . .
C45 C 1.358(2) 0.0414(12) 0.2984(13) 0.094(5) Uani 1 1 d D U . . .
H45 H 1.358646 -0.014840 0.301410 0.112 Uiso 0.54(2) 1 calc R U P C 1
H45A H 1.451040 0.069541 0.292871 0.112 Uiso 0.46(2) 1 calc R U P C 2
C46 C 0.678(3) 0.1511(13) 0.4603(9) 0.078(4) Uani 1 1 d . U . . .
H46 H 0.591536 0.166479 0.490761 0.093 Uiso 1 1 calc R U . . .
C47 C 0.666(3) 0.0620(13) 0.4675(10) 0.091(5) Uani 1 1 d . U . . .
H47A H 0.614792 0.062170 0.423895 0.137 Uiso 1 1 calc R U . . .
H47B H 0.600789 0.035229 0.509911 0.137 Uiso 1 1 calc R U . . .
H47C H 0.773617 0.030604 0.473558 0.137 Uiso 1 1 calc R U . . .
C48 C 0.839(3) 0.1562(13) 0.4913(10) 0.088(5) Uani 1 1 d . U . . .
H48A H 0.927157 0.134687 0.466721 0.132 Uiso 1 1 calc R U . . .
H48B H 0.844178 0.122360 0.543294 0.132 Uiso 1 1 calc R U . . .
H48C H 0.848253 0.214809 0.483811 0.132 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.3247(9) . ?
Au1 Au3 3.3480(8) . ?
Au1 N1 2.017(13) . ?
Au1 N6 2.017(12) . ?
Au2 Au3 3.3482(9) . ?
Au2 N2 1.980(11) . ?
Au2 N3 1.991(13) . ?
Au3 N4 2.015(12) . ?
Au3 N5 2.027(12) . ?
O1A C13 1.21(2) . ?
O1B C13 1.21(2) . ?
O2A C29 1.194(18) . ?
O2B C29 1.21(2) . ?
O3A C45 1.17(2) . ?
O3B C45 1.17(2) . ?
N1 N2 1.356(16) . ?
N1 C1 1.345(18) . ?
N2 C3 1.344(17) . ?
N3 N4 1.373(16) . ?
N3 C17 1.332(19) . ?
N4 C19 1.331(17) . ?
N5 N6 1.330(15) . ?
N5 C33 1.362(18) . ?
N6 C35 1.32(2) . ?
C1 C2 1.38(2) . ?
C1 C4 1.53(2) . ?
C2 C3 1.374(19) . ?
C2 C7 1.507(15) . ?
C3 C14 1.54(2) . ?
C4 H4 0.9900 . ?
C4 C5 1.52(2) . ?
C4 C6 1.57(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 C12 1.3900 . ?
C7 C8 1.3900 . ?
C12 H12 0.9400 . ?
C12 C11 1.3900 . ?
C11 H11 0.9400 . ?
C11 C10 1.3900 . ?
C10 C9 1.3900 . ?
C10 C13 1.492(18) . ?
C9 H9 0.9400 . ?
C9 C8 1.3900 . ?
C8 H8 0.9400 . ?
C13 H13 0.9400 . ?
C13 H13A 0.9400 . ?
C14 H14 0.9900 . ?
C14 C15 1.50(2) . ?
C14 C16 1.50(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 C18 1.42(2) . ?
C17 C20 1.54(2) . ?
C18 C19 1.37(2) . ?
C18 C23 1.480(17) . ?
C19 C30 1.539(19) . ?
C20 H20 0.9900 . ?
C20 C21 1.52(3) . ?
C20 C22 1.52(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 C28 1.3900 . ?
C23 C24 1.3900 . ?
C28 H28 0.9400 . ?
C28 C27 1.3900 . ?
C27 H27 0.9400 . ?
C27 C26 1.3900 . ?
C26 C25 1.3900 . ?
C26 C29 1.519(15) . ?
C25 H25 0.9400 . ?
C25 C24 1.3900 . ?
C24 H24 0.9400 . ?
C29 H29 0.9400 . ?
C29 H29A 0.9400 . ?
C30 H30 0.9900 . ?
C30 C31 1.52(2) . ?
C30 C32 1.53(2) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 C34 1.36(2) . ?
C33 C36 1.52(2) . ?
C34 C35 1.374(19) . ?
C34 C39 1.515(13) . ?
C35 C46 1.53(2) . ?
C36 H36 0.9900 . ?
C36 H36A 0.9900 . ?
C36 C37A 1.535(17) . ?
C36 C37B 1.560(19) . ?
C36 C38A 1.546(17) . ?
C36 C38B 1.549(18) . ?
C37A H37A 0.9700 . ?
C37A H37B 0.9700 . ?
C37A H37C 0.9700 . ?
C37B H37D 0.9700 . ?
C37B H37E 0.9700 . ?
C37B H37F 0.9700 . ?
C38A H38A 0.9700 . ?
C38A H38B 0.9700 . ?
C38A H38C 0.9700 . ?
C38B H38D 0.9700 . ?
C38B H38E 0.9700 . ?
C38B H38F 0.9700 . ?
C39 C44 1.3900 . ?
C39 C40 1.3900 . ?
C44 H44 0.9400 . ?
C44 C43 1.3900 . ?
C43 H43 0.9400 . ?
C43 C42 1.3900 . ?
C42 C41 1.3900 . ?
C42 C45 1.47(2) . ?
C41 H41 0.9400 . ?
C41 C40 1.3900 . ?
C40 H40 0.9400 . ?
C45 H45 0.9400 . ?
C45 H45A 0.9400 . ?
C46 H46 0.9900 . ?
C46 C47 1.49(3) . ?
C46 C48 1.51(2) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C47 H47C 0.9700 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C48 H48C 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au3 60.235(19) . . ?
N1 Au1 Au2 59.6(3) . . ?
N1 Au1 Au3 119.8(3) . . ?
N6 Au1 Au2 120.0(3) . . ?
N6 Au1 Au3 59.8(3) . . ?
N6 Au1 N1 177.5(6) . . ?
Au1 Au2 Au3 60.228(19) . . ?
N2 Au2 Au1 61.4(4) . . ?
N2 Au2 Au3 121.6(4) . . ?
N2 Au2 N3 178.5(5) . . ?
N3 Au2 Au1 120.2(3) . . ?
N3 Au2 Au3 60.0(3) . . ?
Au1 Au3 Au2 59.538(19) . . ?
N4 Au3 Au1 120.3(3) . . ?
N4 Au3 Au2 60.8(3) . . ?
N4 Au3 N5 179.0(5) . . ?
N5 Au3 Au1 60.3(3) . . ?
N5 Au3 Au2 119.8(3) . . ?
N2 N1 Au1 120.3(9) . . ?
C1 N1 Au1 130.1(10) . . ?
C1 N1 N2 109.5(12) . . ?
N1 N2 Au2 118.6(9) . . ?
C3 N2 Au2 134.2(10) . . ?
C3 N2 N1 107.2(11) . . ?
N4 N3 Au2 121.2(9) . . ?
C17 N3 Au2 130.7(10) . . ?
C17 N3 N4 108.1(12) . . ?
N3 N4 Au3 117.5(9) . . ?
C19 N4 Au3 133.5(10) . . ?
C19 N4 N3 108.3(12) . . ?
N6 N5 Au3 119.0(9) . . ?
N6 N5 C33 109.9(11) . . ?
C33 N5 Au3 131.0(9) . . ?
N5 N6 Au1 120.9(9) . . ?
C35 N6 Au1 131.1(10) . . ?
C35 N6 N5 108.0(12) . . ?
N1 C1 C2 107.8(13) . . ?
N1 C1 C4 123.4(13) . . ?
C2 C1 C4 128.8(13) . . ?
C1 C2 C7 126.3(12) . . ?
C3 C2 C1 106.0(12) . . ?
C3 C2 C7 127.6(13) . . ?
N2 C3 C2 109.5(14) . . ?
N2 C3 C14 121.1(12) . . ?
C2 C3 C14 129.4(13) . . ?
C1 C4 H4 106.3 . . ?
C1 C4 C6 110.2(13) . . ?
C5 C4 C1 112.3(13) . . ?
C5 C4 H4 106.3 . . ?
C5 C4 C6 114.7(15) . . ?
C6 C4 H4 106.3 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 C2 120.8(9) . . ?
C12 C7 C8 120.0 . . ?
C8 C7 C2 119.1(9) . . ?
C7 C12 H12 120.0 . . ?
C7 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 C13 122.9(12) . . ?
C9 C10 C13 117.1(12) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
O1A C13 C10 122(2) . . ?
O1A C13 H13 118.9 . . ?
O1B C13 C10 134(4) . . ?
O1B C13 H13A 112.8 . . ?
C10 C13 H13 118.9 . . ?
C10 C13 H13A 112.8 . . ?
C3 C14 H14 106.9 . . ?
C15 C14 C3 112.4(14) . . ?
C15 C14 H14 106.9 . . ?
C15 C14 C16 111.3(13) . . ?
C16 C14 C3 112.1(14) . . ?
C16 C14 H14 106.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C17 C18 108.6(14) . . ?
N3 C17 C20 119.6(13) . . ?
C18 C17 C20 131.8(14) . . ?
C17 C18 C23 129.6(14) . . ?
C19 C18 C17 104.7(14) . . ?
C19 C18 C23 125.6(13) . . ?
N4 C19 C18 110.2(13) . . ?
N4 C19 C30 120.9(14) . . ?
C18 C19 C30 128.9(13) . . ?
C17 C20 H20 105.6 . . ?
C21 C20 C17 110.4(17) . . ?
C21 C20 H20 105.6 . . ?
C21 C20 C22 115.1(16) . . ?
C22 C20 C17 113.6(16) . . ?
C22 C20 H20 105.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C18 118.7(10) . . ?
C28 C23 C24 120.0 . . ?
C24 C23 C18 121.2(10) . . ?
C23 C28 H28 120.0 . . ?
C27 C28 C23 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 C29 118.6(14) . . ?
C25 C26 C29 121.4(14) . . ?
C26 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
O2A C29 C26 124(2) . . ?
O2A C29 H29 118.2 . . ?
O2B C29 C26 120(4) . . ?
O2B C29 H29A 120.1 . . ?
C26 C29 H29 118.2 . . ?
C26 C29 H29A 120.1 . . ?
C19 C30 H30 106.3 . . ?
C31 C30 C19 111.5(13) . . ?
C31 C30 H30 106.3 . . ?
C31 C30 C32 114.2(15) . . ?
C32 C30 C19 111.7(13) . . ?
C32 C30 H30 106.3 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N5 C33 C34 106.1(12) . . ?
N5 C33 C36 117.7(13) . . ?
C34 C33 C36 136.2(14) . . ?
C33 C34 C35 107.1(13) . . ?
C33 C34 C39 125.1(12) . . ?
C35 C34 C39 127.8(13) . . ?
N6 C35 C34 108.9(13) . . ?
N6 C35 C46 120.1(14) . . ?
C34 C35 C46 130.9(16) . . ?
C33 C36 H36 108.2 . . ?
C33 C36 H36A 107.5 . . ?
C33 C36 C37A 110.4(16) . . ?
C33 C36 C37B 109(2) . . ?
C33 C36 C38A 107.6(16) . . ?
C33 C36 C38B 112(2) . . ?
C37A C36 H36 108.2 . . ?
C37A C36 C38A 114.2(19) . . ?
C37B C36 H36A 107.5 . . ?
C38A C36 H36 108.2 . . ?
C38B C36 H36A 107.5 . . ?
C38B C36 C37B 112(2) . . ?
C36 C37A H37A 109.5 . . ?
C36 C37A H37B 109.5 . . ?
C36 C37A H37C 109.5 . . ?
H37A C37A H37B 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C36 C37B H37D 109.5 . . ?
C36 C37B H37E 109.5 . . ?
C36 C37B H37F 109.5 . . ?
H37D C37B H37E 109.5 . . ?
H37D C37B H37F 109.5 . . ?
H37E C37B H37F 109.5 . . ?
C36 C38A H38A 109.5 . . ?
C36 C38A H38B 109.5 . . ?
C36 C38A H38C 109.5 . . ?
H38A C38A H38B 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
C36 C38B H38D 109.5 . . ?
C36 C38B H38E 109.5 . . ?
C36 C38B H38F 109.5 . . ?
H38D C38B H38E 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C44 C39 C34 118.2(10) . . ?
C44 C39 C40 120.0 . . ?
C40 C39 C34 121.8(10) . . ?
C39 C44 H44 120.0 . . ?
C39 C44 C43 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 C45 122.2(11) . . ?
C41 C42 C45 117.8(11) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
O3A C45 C42 129(2) . . ?
O3A C45 H45 115.7 . . ?
O3B C45 C42 122(2) . . ?
O3B C45 H45A 118.9 . . ?
C42 C45 H45 115.7 . . ?
C42 C45 H45A 118.9 . . ?
C35 C46 H46 107.1 . . ?
C47 C46 C35 112.1(16) . . ?
C47 C46 H46 107.1 . . ?
C47 C46 C48 110.2(17) . . ?
C48 C46 C35 113.0(16) . . ?
C48 C46 H46 107.1 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 -5.6(16) . . . . ?
Au1 N1 N2 C3 175.4(11) . . . . ?
Au1 N1 C1 C2 -175.1(12) . . . . ?
Au1 N1 C1 C4 5(2) . . . . ?
Au1 N6 C35 C34 179.9(13) . . . . ?
Au1 N6 C35 C46 3(3) . . . . ?
Au2 N2 C3 C2 -178.5(13) . . . . ?
Au2 N2 C3 C14 2(3) . . . . ?
Au2 N3 N4 Au3 -9.3(18) . . . . ?
Au2 N3 N4 C19 178.6(11) . . . . ?
Au2 N3 C17 C18 -178.7(13) . . . . ?
Au2 N3 C17 C20 2(3) . . . . ?
Au3 N4 C19 C18 -169.8(13) . . . . ?
Au3 N4 C19 C30 12(2) . . . . ?
Au3 N5 N6 Au1 2.3(16) . . . . ?
Au3 N5 N6 C35 -178.6(11) . . . . ?
Au3 N5 C33 C34 177.7(12) . . . . ?
Au3 N5 C33 C36 -1(2) . . . . ?
N1 N2 C3 C2 0.3(19) . . . . ?
N1 N2 C3 C14 -179.2(14) . . . . ?
N1 C1 C2 C3 0.5(19) . . . . ?
N1 C1 C2 C7 179.2(14) . . . . ?
N1 C1 C4 C5 -68(2) . . . . ?
N1 C1 C4 C6 61(2) . . . . ?
N2 N1 C1 C2 -0.4(19) . . . . ?
N2 N1 C1 C4 179.8(14) . . . . ?
N2 C3 C14 C15 59(2) . . . . ?
N2 C3 C14 C16 -68(2) . . . . ?
N3 N4 C19 C18 0.5(19) . . . . ?
N3 N4 C19 C30 -177.7(14) . . . . ?
N3 C17 C18 C19 0(2) . . . . ?
N3 C17 C18 C23 -179.7(16) . . . . ?
N3 C17 C20 C21 -89(2) . . . . ?
N3 C17 C20 C22 139.6(18) . . . . ?
N4 N3 C17 C18 0(2) . . . . ?
N4 N3 C17 C20 -178.8(16) . . . . ?
N4 C19 C30 C31 57.0(19) . . . . ?
N4 C19 C30 C32 -72.1(19) . . . . ?
N5 N6 C35 C34 1(2) . . . . ?
N5 N6 C35 C46 -175.9(15) . . . . ?
N5 C33 C34 C35 0(2) . . . . ?
N5 C33 C34 C39 179.5(15) . . . . ?
N5 C33 C36 C37A 123(2) . . . . ?
N5 C33 C36 C37B 91(3) . . . . ?
N5 C33 C36 C38A -111(2) . . . . ?
N5 C33 C36 C38B -143(3) . . . . ?
N6 N5 C33 C34 0.1(19) . . . . ?
N6 N5 C33 C36 -178.6(14) . . . . ?
N6 C35 C46 C47 108(2) . . . . ?
N6 C35 C46 C48 -127(2) . . . . ?
C1 N1 N2 Au2 179.0(11) . . . . ?
C1 N1 N2 C3 0.1(18) . . . . ?
C1 C2 C3 N2 0(2) . . . . ?
C1 C2 C3 C14 178.9(17) . . . . ?
C1 C2 C7 C12 118.9(16) . . . . ?
C1 C2 C7 C8 -58.1(19) . . . . ?
C2 C1 C4 C5 112(2) . . . . ?
C2 C1 C4 C6 -118.4(19) . . . . ?
C2 C3 C14 C15 -120.6(19) . . . . ?
C2 C3 C14 C16 113.1(19) . . . . ?
C2 C7 C12 C11 -177.0(10) . . . . ?
C2 C7 C8 C9 177.1(9) . . . . ?
C3 C2 C7 C12 -62.7(19) . . . . ?
C3 C2 C7 C8 120.2(16) . . . . ?
C4 C1 C2 C3 -179.7(16) . . . . ?
C4 C1 C2 C7 -1(3) . . . . ?
C7 C2 C3 N2 -179.1(15) . . . . ?
C7 C2 C3 C14 0(3) . . . . ?
C7 C12 C11 C10 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C12 C11 C10 C13 179.4(6) . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C11 C10 C13 O1A 0.4(11) . . . . ?
C11 C10 C13 O1B 179.9(8) . . . . ?
C10 C9 C8 C7 0.0 . . . . ?
C9 C10 C13 O1A 179.8(7) . . . . ?
C9 C10 C13 O1B -0.7(13) . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C13 C10 C9 C8 -179.5(6) . . . . ?
C17 N3 N4 Au3 171.6(12) . . . . ?
C17 N3 N4 C19 -0.5(19) . . . . ?
C17 C18 C19 N4 -0.3(19) . . . . ?
C17 C18 C19 C30 177.7(15) . . . . ?
C17 C18 C23 C28 120.6(17) . . . . ?
C17 C18 C23 C24 -54(2) . . . . ?
C18 C17 C20 C21 92(2) . . . . ?
C18 C17 C20 C22 -39(3) . . . . ?
C18 C19 C30 C31 -120.7(18) . . . . ?
C18 C19 C30 C32 110.2(19) . . . . ?
C18 C23 C28 C27 -175.0(11) . . . . ?
C18 C23 C24 C25 174.9(11) . . . . ?
C19 C18 C23 C28 -59.0(19) . . . . ?
C19 C18 C23 C24 126.1(16) . . . . ?
C20 C17 C18 C19 178.9(19) . . . . ?
C20 C17 C18 C23 -1(3) . . . . ?
C23 C18 C19 N4 179.4(15) . . . . ?
C23 C18 C19 C30 -3(3) . . . . ?
C23 C28 C27 C26 0.0 . . . . ?
C28 C23 C24 C25 0.0 . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C28 C27 C26 C29 179.2(8) . . . . ?
C27 C26 C25 C24 0.0 . . . . ?
C27 C26 C29 O2A -0.6(15) . . . . ?
C27 C26 C29 O2B -180(5) . . . . ?
C26 C25 C24 C23 0.0 . . . . ?
C25 C26 C29 O2A 178.6(9) . . . . ?
C25 C26 C29 O2B 0(6) . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
C29 C26 C25 C24 -179.2(9) . . . . ?
C33 N5 N6 Au1 -179.8(11) . . . . ?
C33 N5 N6 C35 -0.6(19) . . . . ?
C33 C34 C35 N6 -1(2) . . . . ?
C33 C34 C35 C46 175.5(19) . . . . ?
C33 C34 C39 C44 -93.0(18) . . . . ?
C33 C34 C39 C40 88.7(19) . . . . ?
C34 C33 C36 C37A -55(3) . . . . ?
C34 C33 C36 C37B -87(4) . . . . ?
C34 C33 C36 C38A 70(3) . . . . ?
C34 C33 C36 C38B 38(4) . . . . ?
C34 C35 C46 C47 -68(3) . . . . ?
C34 C35 C46 C48 57(3) . . . . ?
C34 C39 C44 C43 -178.3(11) . . . . ?
C34 C39 C40 C41 178.2(11) . . . . ?
C35 C34 C39 C44 86(2) . . . . ?
C35 C34 C39 C40 -92(2) . . . . ?
C36 C33 C34 C35 179(2) . . . . ?
C36 C33 C34 C39 -2(3) . . . . ?
C39 C34 C35 N6 -179.9(16) . . . . ?
C39 C34 C35 C46 -4(3) . . . . ?
C39 C44 C43 C42 0.0 . . . . ?
C44 C39 C40 C41 0.0 . . . . ?
C44 C43 C42 C41 0.0 . . . . ?
C44 C43 C42 C45 180.0(15) . . . . ?
C43 C42 C41 C40 0.0 . . . . ?
C43 C42 C45 O3A 169(3) . . . . ?
C43 C42 C45 O3B -11(4) . . . . ?
C42 C41 C40 C39 0.0 . . . . ?
C41 C42 C45 O3A -11(4) . . . . ?
C41 C42 C45 O3B 169(3) . . . . ?
C40 C39 C44 C43 0.0 . . . . ?
C45 C42 C41 C40 -180.0(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.808 0.000 0.000 280.7 96.9 '2.5 DCM'
2 0.225 0.266 0.156 10.9 1.9 ?
3 0.775 0.734 0.844 10.9 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 4.123
_oxdiff_exptl_absorpt_empirical_full_min 0.438
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne02_16_cu
_database_code_depnum_ccdc_archive 'CCDC 2284421'
loop_
_audit_author_name
_audit_author_address
'Farzaneh Fadaei Tirani'
;EPFL
Switzerland
;
_audit_update_record             
;
2024-01-14 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2024-01-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C105 H132 Au6 N18, 4[CH2Cl2]'
_chemical_formula_sum            'C109 H140 Au6 Cl8 N18'
_chemical_formula_weight         3167.78
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C109 H140 Au6 Cl8 N18'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.6340(3)
_cell_length_b                   17.1978(2)
_cell_length_c                   25.4548(4)
_cell_angle_alpha                94.8137(12)
_cell_angle_beta                 107.0463(15)
_cell_angle_gamma                107.4465(15)
_cell_volume                     6130.60(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    32375
_cell_measurement_temperature    140.00(10)
_cell_measurement_theta_max      71.7530
_cell_measurement_theta_min      1.8320
_shelx_estimated_absorpt_T_max   0.659
_shelx_estimated_absorpt_T_min   0.313
_exptl_absorpt_coefficient_mu    15.148
_exptl_absorpt_correction_T_max  0.787
_exptl_absorpt_correction_T_min  0.385
_exptl_absorpt_correction_type   Gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.100a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3060
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 -1 0.0168
-1 0 1 0.0084
0 0 1 0.0303
0 0 -1 0.0413
0 1 -1 0.0227
0 -1 1 0.0472
0 1 0 0.0136
0 -1 0 0.0355
0 -1 -1 0.0287

_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.9995 0.0009 -0.9999 -0.0008 0.0965 0.0461
-0.9995 -0.0009 0.9999 0.0008 -0.0965 -0.0461
0.0008 -0.0002 0.9995 -0.0314 0.0079 -0.0557
-0.0008 0.0002 -0.9995 0.0314 -0.0079 0.0557
-0.0005 1.0005 -0.9997 0.0960 0.0417 0.0055
0.0005 -1.0005 0.9997 -0.0960 -0.0417 -0.0055
0.0003 1.0003 -0.0002 0.0646 0.0496 -0.0502
-0.0003 -1.0003 0.0002 -0.0646 -0.0496 0.0502
-0.0011 -1.0001 -0.9993 -0.0332 -0.0575 0.1059

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            105980
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        66.601
_diffrn_reflns_theta_max         66.601
_diffrn_reflns_theta_min         1.848
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      140.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -114.00 -59.00   0.50    0.50    --  -74.75 144.00-159.67  110
  2  ω    -74.00 -40.00   0.50    0.50    --  -74.75 143.00 -20.04   68
  3  ω   -111.00 -36.00   0.50    0.50    --  -74.75 144.00  94.23  150
  4  ω   -113.00 -85.00   0.50    0.50    --  -74.75 143.00 151.47   56
  5  ω    -60.00 -34.00   0.50    0.50    --  -74.75 143.00 151.47   52
  6  ω    -74.00 -28.00   0.50    0.50    --  -69.26 125.00 150.00   92
  7  ω    -96.00 -29.00   0.50    0.50    --  -69.26 125.00  60.00  134
  8  ω    -79.00 -37.00   0.50    0.50    --  -74.75 143.00  16.07   84
  9  ω   -111.00 -85.00   0.50    0.50    --  -74.75 143.00  16.07   52
 10  ω   -112.00 -40.00   0.50    0.50    --  -74.75 142.00 -64.14  144
 11  ω    -96.00 -44.00   0.50    0.50    --  -69.26 125.00 -90.00  104
 12  ω    -72.00 -38.00   0.50    0.50    --  -69.26   0.00 150.00   68
 13  ω    -56.00 -29.00   0.50    0.50    --  -66.85   0.00  60.00   54
 14  ω   -112.00 -78.00   0.50    0.50    --  -66.85 -15.00-120.00   68
 15  ω    -65.00 -34.00   0.50    0.50    --  -69.26   0.00-150.00   62
 16  ω     37.00  96.00   0.50    0.50    --   66.10  15.00-120.00  118
 17  ω     42.00 115.00   0.50    0.50    --   69.46  15.00 -30.00  146
 18  ω     86.00 114.00   0.50    0.50    --   69.46  15.00  30.00   56
 19  ω     80.00 111.00   0.50    0.50    --   69.46  15.00  60.00   62
 20  ω     80.00 111.00   0.50    0.50    --   69.46  15.00 120.00   62
 21  ω     45.00  74.00   0.50    0.50    --   69.46  15.00 120.00   58
 22  ω     39.00  64.00   0.50    0.50    --   69.46  15.00  60.00   50
 23  ω     46.00  75.00   0.50    0.50    --   69.46  15.00  30.00   58
 24  ω     49.00 122.00   0.50    0.50    --   78.01  15.00  30.00  146
 25  ω     42.00 106.00   0.50    0.50    --   78.01   0.00 120.00  128
 26  ω     47.00 108.00   0.50    0.50    --   78.01  15.00 -30.00  122
 27  ω     54.00  79.00   0.50    0.50    --   78.01  15.00 -90.00   50
 28  ω     54.00 110.00   0.50    0.50    --   78.01  15.00-180.00  112
 29  ω     30.00  67.00   0.50    0.50    --   66.10 -95.00-120.00   74
 30  ω     61.00  96.00   0.50    0.50    --   69.46-125.00 -30.00   70
 31  ω     41.00  95.00   0.50    0.50    --   69.46-125.00  30.00  108
 32  ω     55.00 105.00   0.50    0.50    --   78.01-125.00 150.00  100
 33  ω     48.00  73.00   0.50    0.50    --   78.01-125.00  60.00   50
 34  ω     43.00  68.00   0.50    0.50    --   78.01-125.00   0.00   50
 35  ω     79.00 104.00   0.50    0.50    --   78.01-125.00   0.00   50
 36  ω     45.00 104.00   0.50    0.50    --   78.01-125.00 -30.00  118
 37  ω     44.00 105.00   0.50    0.50    --   78.01-125.00 -90.00  122
 38  ω     80.00 105.00   0.50    0.50    --   78.01-125.00-150.00   50
 39  ω     78.00 105.00   0.50    0.50    --   78.01-125.00-120.00   54
 40  ω     80.00 105.00   0.50    0.50    --   78.01-125.00  30.00   50
 41  ω     80.00 105.00   0.50    0.50    --   78.01-125.00  60.00   50
 42  ω     77.00 105.00   0.50    0.50    --   78.01-125.00  90.00   56
 43  ω     38.00  67.00   0.50    0.50    --   78.01-125.00  90.00   58
 44  ω     33.00  59.00   0.50    0.50    --   69.46 -95.00 150.00   52
 45  ω     46.00  73.00   0.50    0.50    --   66.10 -95.00  60.00   54
 46  ω     28.00  62.00   0.50    0.50    --   66.10 -95.00  30.00   68
 47  ω     32.00  57.00   0.50    0.50    --   69.46 -95.00 -30.00   50
 48  ω     38.00  63.00   0.50    0.50    --   69.46 -95.00 -90.00   50
 49  ω     38.00  64.00   0.50    0.50    --   66.10 -95.00-180.00   52
 50  ω     33.00  78.00   0.50    0.50    --   69.46 -95.00-150.00   90
 51  ω     34.00  72.00   0.50    0.50    --   66.10 -95.00  90.00   76
 52  ω     28.00  72.00   0.50    0.50    --   66.10 -95.00 150.00   88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0322533000
_diffrn_orient_matrix_UB_12      0.0645627000
_diffrn_orient_matrix_UB_13      -0.0313735000
_diffrn_orient_matrix_UB_21      0.1043257000
_diffrn_orient_matrix_UB_22      0.0495537000
_diffrn_orient_matrix_UB_23      0.0078484000
_diffrn_orient_matrix_UB_31      -0.0095973000
_diffrn_orient_matrix_UB_32      -0.0501735000
_diffrn_orient_matrix_UB_33      -0.0557558000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16251
_reflns_number_total             21590
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.100a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.104a 64-bit (release 22-12-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.100a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         1.430
_refine_diff_density_min         -1.494
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1293
_refine_ls_number_reflns         21590
_refine_ls_number_restraints     2281
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0446
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0639P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1184
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01 within 2A
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: Au1A(0.87) Au1B(0.08) Au1C(0.05) Au2A(0.87) Au2B(0.08) Au2C(0.05)
 Au3A(0.87) Au3B(0.08) Au3C(0.05) Au4A(0.87) Au4B(0.08) Au4C(0.05) Au5A(0.87)
 Au5B(0.08) Au5C(0.05) Au6A(0.87) Au6B(0.08) Au6C(0.05)
5.a Ternary CH refined with riding coordinates:
 C4(H4), C7(H7), C30(H30), C33(H33), C39(H39), C42(H42), C65(H65), C68(H68),
 C74(H74), C77(H77), C100(H100), C103(H103)
5.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C52(H52A,H52B), C53(H53A,
 H53B), C54(H54A,H54B), C87(H87A,H87B), C88(H88A,H88B), C89(H89A,H89B)
5.c Me refined with riding coordinates:
 C43(H43A,H43B,H43C)
5.d Aromatic/amide H refined with riding coordinates:
 C11(H11), C13(H13), C14(H14), C15(H15), C16(H16), C20(H20), C22(H22),
 C24(H24), C25(H25), C26(H26), C46(H46), C48(H48), C49(H49), C50(H50), C51(H51),
  C55(H55), C57(H57), C58(H58), C59(H59), C61(H61), C81(H81), C83(H83),
 C84(H84), C85(H85), C86(H86), C90(H90), C92(H92), C94(H94), C95(H95), C96(H96)
5.e Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C),
 C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C44(H44A,H44B,H44C), C66(H66A,H66B,
 H66C), C67(H67A,H67B,H67C), C69(H69A,H69B,H69C), C70(H70A,H70B,H70C), C75(H75A,
 H75B,H75C), C76(H76A,H76B,H76C), C78(H78A,H78B,H78C), C79(H79A,H79B,H79C),
 C101(H10A,H10B,H10C), C102(H10D,H10E,H10F), C104(H10G,H10H,H10I), C105(H10J,
 H10K,H10L)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1A Au 0.55024(4) 0.83868(3) 0.73358(2) 0.03546(17) Uani 0.87 1 d . U P A 1
Au1B Au 0.5206(6) 0.8223(5) 0.7425(4) 0.0534(18) Uani 0.08 1 d . U P A 2
Au1C Au 0.5906(7) 0.8480(6) 0.7255(4) 0.0405(19) Uani 0.05 1 d . U P A 3
Au2A Au 0.57995(4) 0.66453(4) 0.77237(2) 0.03853(17) Uani 0.87 1 d . U P A 1
Au2B Au 0.5404(6) 0.6473(5) 0.7806(3) 0.0623(18) Uani 0.08 1 d . U P A 2
Au2C Au 0.6156(8) 0.6709(8) 0.7647(5) 0.051(2) Uani 0.05 1 d . U P A 3
Au3A Au 0.45462(4) 0.66274(4) 0.63999(2) 0.0378(2) Uani 0.87 1 d . U P A 1
Au3B Au 0.4192(6) 0.6486(5) 0.6509(3) 0.0549(18) Uani 0.08 1 d . U P A 2
Au3C Au 0.4864(9) 0.6695(9) 0.6315(6) 0.044(2) Uani 0.05 1 d . U P A 3
Au4A Au 0.03356(4) 0.65322(3) 0.86506(2) 0.03738(13) Uani 0.87 1 d . U P B 1
Au4B Au -0.0139(5) 0.6386(4) 0.8669(3) 0.0558(15) Uani 0.08 1 d . U P B 2
Au4C Au 0.0575(8) 0.6581(6) 0.8449(4) 0.0565(18) Uani 0.05 1 d . U P B 3
Au5A Au 0.07743(4) 0.47566(3) 0.88255(2) 0.03880(14) Uani 0.87 1 d . U P B 1
Au5B Au 0.0304(5) 0.4637(4) 0.8879(2) 0.0492(14) Uani 0.08 1 d . U P B 2
Au5C Au 0.1071(8) 0.4834(6) 0.8646(4) 0.0552(18) Uani 0.05 1 d . U P B 3
Au6A Au -0.04580(8) 0.49422(5) 0.75724(2) 0.04584(17) Uani 0.87 1 d . U P B 1
Au6B Au -0.1028(4) 0.4765(3) 0.7599(2) 0.0487(12) Uani 0.08 1 d . U P B 2
Au6C Au -0.0467(16) 0.4894(11) 0.7412(5) 0.056(2) Uani 0.05 1 d . U P B 3
N1 N 0.6288(5) 0.8412(3) 0.8119(2) 0.0482(12) Uani 1 1 d . U . . .
N2 N 0.6326(5) 0.7690(4) 0.8286(2) 0.0492(13) Uani 1 1 d . U . . .
N3 N 0.5283(5) 0.5602(4) 0.7153(2) 0.0546(13) Uani 1 1 d . U . . .
N4 N 0.4779(5) 0.5597(4) 0.6612(2) 0.0534(13) Uani 1 1 d . U . . .
N5 N 0.4336(5) 0.7660(3) 0.6175(2) 0.0462(12) Uani 1 1 d . U . . .
N6 N 0.4714(4) 0.8368(3) 0.6568(2) 0.0412(11) Uani 1 1 d . U . . .
N7 N 0.1076(5) 0.6422(3) 0.9401(2) 0.0475(12) Uani 1 1 d . U . . .
N8 N 0.1218(5) 0.5683(4) 0.9479(2) 0.0502(13) Uani 1 1 d . U . . .
N9 N 0.0310(5) 0.3812(4) 0.8180(2) 0.0552(14) Uani 1 1 d . U . . .
N10 N -0.0150(5) 0.3906(4) 0.7661(2) 0.0523(13) Uani 1 1 d . U . . .
N11 N -0.0825(5) 0.5953(4) 0.7466(2) 0.0569(15) Uani 1 1 d . U . . .
N12 N -0.0461(5) 0.6615(4) 0.7901(2) 0.0526(12) Uani 1 1 d . U . . .
N13 N 0.7212(7) 0.9298(5) 1.1450(3) 0.090(2) Uani 1 1 d . U . . .
N14 N 0.5103(6) 0.7479(5) 1.1870(3) 0.0743(17) Uani 1 1 d . U . . .
N15 N 0.2660(6) 0.0595(4) 0.5968(3) 0.0634(16) Uani 1 1 d . U . . .
N16 N 0.0944(6) -0.0311(5) 0.6842(3) 0.0766(17) Uani 1 1 d . U . . .
N17 N 0.0603(5) 0.8161(4) 0.4329(3) 0.0569(14) Uani 1 1 d . U . . .
N18 N -0.1004(5) 0.8063(5) 0.5381(3) 0.0649(15) Uani 1 1 d . U . . .
C1 C 0.6724(6) 0.9033(5) 0.8569(3) 0.0514(14) Uani 1 1 d . U . . .
C2 C 0.7029(6) 0.8712(5) 0.9028(3) 0.0496(14) Uani 1 1 d . U . . .
C3 C 0.6775(6) 0.7862(5) 0.8844(3) 0.0503(14) Uani 1 1 d . U . . .
C4 C 0.6796(7) 0.9906(5) 0.8490(3) 0.0636(18) Uani 1 1 d . U . . .
H4 H 0.644374 0.987509 0.808758 0.076 Uiso 1 1 calc R U . . .
C5 C 0.7806(8) 1.0454(6) 0.8609(4) 0.085(3) Uani 1 1 d . U . . .
H5A H 0.818486 1.047013 0.899450 0.127 Uiso 1 1 calc R U . . .
H5B H 0.782216 1.101680 0.855887 0.127 Uiso 1 1 calc R U . . .
H5C H 0.807114 1.023415 0.835009 0.127 Uiso 1 1 calc R U . . .
C6 C 0.6318(8) 1.0278(6) 0.8832(4) 0.081(3) Uani 1 1 d . U . . .
H6A H 0.565913 0.991086 0.874270 0.122 Uiso 1 1 calc R U . . .
H6B H 0.632496 1.082270 0.874397 0.122 Uiso 1 1 calc R U . . .
H6C H 0.666236 1.033979 0.923170 0.122 Uiso 1 1 calc R U . . .
C7 C 0.6881(6) 0.7149(5) 0.9142(3) 0.0576(17) Uani 1 1 d . U . . .
H7 H 0.689524 0.670397 0.886810 0.069 Uiso 1 1 calc R U . . .
C8 C 0.7796(7) 0.7401(6) 0.9640(4) 0.083(3) Uani 1 1 d . U . . .
H8A H 0.834273 0.762496 0.951601 0.124 Uiso 1 1 calc R U . . .
H8B H 0.784391 0.691410 0.980530 0.124 Uiso 1 1 calc R U . . .
H8C H 0.779045 0.782474 0.992013 0.124 Uiso 1 1 calc R U . . .
C9 C 0.6022(7) 0.6794(5) 0.9319(4) 0.072(2) Uani 1 1 d . U . . .
H9A H 0.596374 0.723130 0.956482 0.108 Uiso 1 1 calc R U . . .
H9B H 0.609682 0.634382 0.951919 0.108 Uiso 1 1 calc R U . . .
H9C H 0.544748 0.657831 0.898667 0.108 Uiso 1 1 calc R U . . .
C10 C 0.7540(7) 0.9142(5) 0.9632(3) 0.0538(15) Uani 1 1 d . U . . .
C11 C 0.7036(7) 0.9058(5) 0.9990(3) 0.0591(16) Uani 1 1 d . U . . .
H11 H 0.636466 0.879706 0.984282 0.071 Uiso 1 1 calc R U . . .
C12 C 0.7466(7) 0.9337(6) 1.0561(3) 0.0681(17) Uani 1 1 d . U . . .
C13 C 0.8404(7) 0.9702(6) 1.0760(4) 0.074(2) Uani 1 1 d . U . . .
H13 H 0.870681 0.986900 1.115365 0.089 Uiso 1 1 calc R U . . .
C14 C 0.8964(8) 0.9851(6) 1.0420(4) 0.076(2) Uani 1 1 d . U . . .
H14 H 0.962849 1.014837 1.057141 0.091 Uiso 1 1 calc R U . . .
C15 C 0.8506(7) 0.9542(5) 0.9839(3) 0.0673(18) Uani 1 1 d . U . . .
H15 H 0.886599 0.961131 0.959308 0.081 Uiso 1 1 calc R U . . .
C16 C 0.6875(8) 0.9121(6) 1.0935(4) 0.0770(19) Uani 1 1 d . U . . .
H16 H 0.621058 0.883362 1.076632 0.092 Uiso 1 1 calc R U . . .
C17 C 0.6516(8) 0.8930(7) 1.1745(4) 0.092(2) Uani 1 1 d . U . . .
H17A H 0.585212 0.879581 1.149492 0.110 Uiso 1 1 calc R U . . .
H17B H 0.662630 0.932216 1.208547 0.110 Uiso 1 1 calc R U . . .
C18 C 0.6708(8) 0.8124(7) 1.1901(4) 0.088(2) Uani 1 1 d . U . . .
H18A H 0.655282 0.772282 1.155622 0.106 Uiso 1 1 calc R U . . .
H18B H 0.739001 0.826034 1.211900 0.106 Uiso 1 1 calc R U . . .
C19 C 0.6115(7) 0.7749(7) 1.2238(4) 0.083(2) Uani 1 1 d . U . . .
H19A H 0.627531 0.726816 1.236935 0.100 Uiso 1 1 calc R U . . .
H19B H 0.622838 0.816162 1.256916 0.100 Uiso 1 1 calc R U . . .
C20 C 0.4538(7) 0.7598(5) 1.2101(3) 0.0638(17) Uani 1 1 d . U . . .
H20 H 0.477207 0.785679 1.248438 0.077 Uiso 1 1 calc R U . . .
C21 C 0.3516(6) 0.7344(5) 1.1788(3) 0.0541(15) Uani 1 1 d . U . . .
C22 C 0.3153(6) 0.7072(4) 1.1205(3) 0.0514(15) Uani 1 1 d . U . . .
H22 H 0.357363 0.707463 1.100091 0.062 Uiso 1 1 calc R U . . .
C23 C 0.2192(6) 0.6802(5) 1.0933(3) 0.0504(14) Uani 1 1 d . U . . .
C24 C 0.1605(7) 0.6823(5) 1.1238(3) 0.0600(17) Uani 1 1 d . U . . .
H24 H 0.093712 0.663827 1.104947 0.072 Uiso 1 1 calc R U . . .
C25 C 0.1953(7) 0.7105(5) 1.1814(3) 0.0640(18) Uani 1 1 d . U . . .
H25 H 0.153898 0.712815 1.201893 0.077 Uiso 1 1 calc R U . . .
C26 C 0.2912(7) 0.7346(5) 1.2072(3) 0.0621(17) Uani 1 1 d . U . . .
H26 H 0.316416 0.752288 1.246648 0.074 Uiso 1 1 calc R U . . .
C27 C 0.1777(6) 0.6492(4) 1.0307(3) 0.0494(14) Uani 1 1 d . U . . .
C28 C 0.1445(6) 0.6930(4) 0.9911(3) 0.0488(14) Uani 1 1 d . U . . .
C29 C 0.1626(6) 0.5730(5) 1.0036(3) 0.0553(15) Uani 1 1 d . U . . .
C30 C 0.1449(6) 0.7812(5) 0.9993(3) 0.0549(17) Uani 1 1 d . U . . .
H30 H 0.179663 0.805018 1.039984 0.066 Uiso 1 1 calc R U . . .
C31 C 0.2020(7) 0.8323(5) 0.9685(3) 0.069(2) Uani 1 1 d . U . . .
H31A H 0.266638 0.830070 0.980857 0.104 Uiso 1 1 calc R U . . .
H31B H 0.204783 0.889971 0.976189 0.104 Uiso 1 1 calc R U . . .
H31C H 0.171968 0.810331 0.928213 0.104 Uiso 1 1 calc R U . . .
C32 C 0.0458(7) 0.7855(5) 0.9876(3) 0.065(2) Uani 1 1 d . U . . .
H32A H 0.009023 0.764168 0.947780 0.098 Uiso 1 1 calc R U . . .
H32B H 0.050148 0.843275 0.997206 0.098 Uiso 1 1 calc R U . . .
H32C H 0.014063 0.751862 1.010106 0.098 Uiso 1 1 calc R U . . .
C33 C 0.1834(7) 0.4984(6) 1.0258(4) 0.0688(19) Uani 1 1 d . U . . .
H33 H 0.153669 0.461224 0.988153 0.083 Uiso 1 1 calc R U . . .
C34 C 0.2782(8) 0.5000(7) 1.0310(5) 0.114(3) Uani 1 1 d . U . . .
H34A H 0.290561 0.510228 0.996228 0.171 Uiso 1 1 calc R U . . .
H34B H 0.284100 0.446530 1.038463 0.171 Uiso 1 1 calc R U . . .
H34C H 0.324346 0.544356 1.062051 0.171 Uiso 1 1 calc R U . . .
C35 C 0.1167(9) 0.4523(7) 1.0475(5) 0.114(3) Uani 1 1 d . U . . .
H35A H 0.092541 0.489420 1.065641 0.171 Uiso 1 1 calc R U . . .
H35B H 0.146798 0.423588 1.075078 0.171 Uiso 1 1 calc R U . . .
H35C H 0.063848 0.411354 1.017195 0.171 Uiso 1 1 calc R U . . .
C36 C 0.5348(7) 0.4837(4) 0.7171(3) 0.0549(15) Uani 1 1 d . U . . .
C37 C 0.4866(6) 0.4339(4) 0.6657(3) 0.0522(14) Uani 1 1 d . U . . .
C38 C 0.4508(6) 0.4849(5) 0.6307(3) 0.0564(15) Uani 1 1 d . U . . .
C39 C 0.5903(7) 0.4616(5) 0.7693(3) 0.0629(18) Uani 1 1 d . U . . .
H39 H 0.582386 0.401698 0.759655 0.075 Uiso 1 1 calc R U . . .
C40 C 0.6948(7) 0.5083(6) 0.7901(4) 0.082(3) Uani 1 1 d . U . . .
H40A H 0.721133 0.500999 0.760306 0.124 Uiso 1 1 calc R U . . .
H40B H 0.725694 0.487195 0.822329 0.124 Uiso 1 1 calc R U . . .
H40C H 0.706077 0.567409 0.801438 0.124 Uiso 1 1 calc R U . . .
C41 C 0.5454(8) 0.4686(5) 0.8151(3) 0.079(2) Uani 1 1 d . U . . .
H41A H 0.574212 0.444760 0.846408 0.118 Uiso 1 1 calc R U . . .
H41B H 0.476760 0.438316 0.799718 0.118 Uiso 1 1 calc R U . . .
H41C H 0.556692 0.527139 0.828374 0.118 Uiso 1 1 calc R U . . .
C42 C 0.3925(7) 0.4679(5) 0.5697(3) 0.068(2) Uani 1 1 d . U . . .
H42 H 0.402120 0.522630 0.557329 0.082 Uiso 1 1 calc R U . . .
C43 C 0.2885(8) 0.4297(7) 0.5612(4) 0.116(4) Uani 1 1 d . U . . .
H43A H 0.251850 0.419123 0.521270 0.174 Uiso 1 1 calc R U . . .
H43B H 0.277151 0.377292 0.574969 0.174 Uiso 1 1 calc R U . . .
H43C H 0.268708 0.467783 0.581857 0.174 Uiso 1 1 calc R U . . .
C44 C 0.4234(9) 0.4148(6) 0.5330(4) 0.099(3) Uani 1 1 d . U . . .
H44A H 0.413178 0.359898 0.543331 0.149 Uiso 1 1 calc R U . . .
H44B H 0.491044 0.441565 0.538505 0.149 Uiso 1 1 calc R U . . .
H44C H 0.385846 0.408671 0.493658 0.149 Uiso 1 1 calc R U . . .
C45 C 0.4750(6) 0.3453(4) 0.6496(3) 0.0512(14) Uani 1 1 d . U . . .
C46 C 0.3890(6) 0.2841(4) 0.6414(3) 0.0527(15) Uani 1 1 d . U . . .
H46 H 0.338143 0.298605 0.647454 0.063 Uiso 1 1 calc R U . . .
C47 C 0.3764(6) 0.2005(5) 0.6242(3) 0.0538(15) Uani 1 1 d . U . . .
C48 C 0.4500(6) 0.1792(5) 0.6159(3) 0.0544(16) Uani 1 1 d . U . . .
H48 H 0.441025 0.122847 0.603147 0.065 Uiso 1 1 calc R U . . .
C49 C 0.5369(7) 0.2399(5) 0.6264(3) 0.0552(16) Uani 1 1 d . U . . .
H49 H 0.588887 0.225475 0.622016 0.066 Uiso 1 1 calc R U . . .
C50 C 0.5481(7) 0.3225(5) 0.6433(3) 0.0562(16) Uani 1 1 d . U . . .
H50 H 0.608303 0.364044 0.650679 0.067 Uiso 1 1 calc R U . . .
C51 C 0.2830(7) 0.1368(5) 0.6139(3) 0.0585(16) Uani 1 1 d . U . . .
H51 H 0.233517 0.153531 0.620072 0.070 Uiso 1 1 calc R U . . .
C52 C 0.1696(7) 0.0012(5) 0.5845(4) 0.0695(19) Uani 1 1 d . U . . .
H52A H 0.142626 -0.023412 0.544116 0.083 Uiso 1 1 calc R U . . .
H52B H 0.129199 0.031840 0.592857 0.083 Uiso 1 1 calc R U . . .
C53 C 0.1670(8) -0.0669(6) 0.6176(4) 0.0741(19) Uani 1 1 d . U . . .
H53A H 0.216172 -0.090559 0.614578 0.089 Uiso 1 1 calc R U . . .
H53B H 0.104301 -0.111481 0.600918 0.089 Uiso 1 1 calc R U . . .
C54 C 0.1837(7) -0.0391(6) 0.6797(4) 0.0771(19) Uani 1 1 d . U . . .
H54A H 0.201017 -0.080493 0.701390 0.092 Uiso 1 1 calc R U . . .
H54B H 0.236189 0.014864 0.694722 0.092 Uiso 1 1 calc R U . . .
C55 C 0.1034(7) 0.0404(5) 0.7000(3) 0.0672(17) Uani 1 1 d . U . . .
H55 H 0.162815 0.082940 0.707033 0.081 Uiso 1 1 calc R U . . .
C56 C 0.0208(7) 0.0629(5) 0.7085(3) 0.0581(15) Uani 1 1 d . U . . .
C57 C -0.0718(7) 0.0065(5) 0.6973(3) 0.0601(17) Uani 1 1 d . U . . .
H57 H -0.084763 -0.050591 0.684118 0.072 Uiso 1 1 calc R U . . .
C58 C -0.1430(7) 0.0305(5) 0.7048(3) 0.0601(17) Uani 1 1 d . U . . .
H58 H -0.204810 -0.009070 0.696467 0.072 Uiso 1 1 calc R U . . .
C59 C -0.1249(6) 0.1145(5) 0.7251(3) 0.0527(16) Uani 1 1 d . U . . .
H59 H -0.174587 0.132057 0.729988 0.063 Uiso 1 1 calc R U . . .
C60 C -0.0339(6) 0.1720(4) 0.7379(3) 0.0480(14) Uani 1 1 d . U . . .
C61 C 0.0363(7) 0.1448(5) 0.7290(3) 0.0531(15) Uani 1 1 d . U . . .
H61 H 0.098103 0.184257 0.737306 0.064 Uiso 1 1 calc R U . . .
C62 C -0.0134(6) 0.2611(4) 0.7604(3) 0.0482(14) Uani 1 1 d . U . . .
C63 C 0.0324(6) 0.3035(4) 0.8155(3) 0.0496(14) Uani 1 1 d . U . . .
C64 C -0.0448(6) 0.3179(4) 0.7301(3) 0.0523(14) Uani 1 1 d . U . . .
C65 C 0.0844(6) 0.2777(5) 0.8686(3) 0.0549(17) Uani 1 1 d . U . . .
H65 H 0.091959 0.319073 0.901132 0.066 Uiso 1 1 calc R U . . .
C66 C 0.0260(7) 0.1936(5) 0.8752(3) 0.072(2) Uani 1 1 d . U . . .
H66A H -0.036587 0.194411 0.874848 0.108 Uiso 1 1 calc R U . . .
H66B H 0.058789 0.180824 0.910832 0.108 Uiso 1 1 calc R U . . .
H66C H 0.017984 0.151042 0.844319 0.108 Uiso 1 1 calc R U . . .
C67 C 0.1815(7) 0.2798(7) 0.8716(4) 0.085(3) Uani 1 1 d . U . . .
H67A H 0.176748 0.234412 0.843734 0.127 Uiso 1 1 calc R U . . .
H67B H 0.215532 0.273279 0.909090 0.127 Uiso 1 1 calc R U . . .
H67C H 0.216176 0.332976 0.864139 0.127 Uiso 1 1 calc R U . . .
C68 C -0.0986(6) 0.3033(5) 0.6693(3) 0.0555(17) Uani 1 1 d . U . . .
H68 H -0.098207 0.248856 0.652440 0.067 Uiso 1 1 calc R U . . .
C69 C -0.2014(7) 0.2941(6) 0.6596(3) 0.072(2) Uani 1 1 d . U . . .
H69A H -0.230971 0.246042 0.674278 0.109 Uiso 1 1 calc R U . . .
H69B H -0.235064 0.285820 0.619354 0.109 Uiso 1 1 calc R U . . .
H69C H -0.204871 0.344282 0.678744 0.109 Uiso 1 1 calc R U . . .
C70 C -0.0504(7) 0.3689(5) 0.6398(3) 0.066(2) Uani 1 1 d . U . . .
H70A H -0.062076 0.420543 0.648510 0.098 Uiso 1 1 calc R U . . .
H70B H -0.076717 0.348522 0.599228 0.098 Uiso 1 1 calc R U . . .
H70C H 0.018261 0.379276 0.652712 0.098 Uiso 1 1 calc R U . . .
C71 C 0.3854(6) 0.7817(4) 0.5680(3) 0.0460(14) Uani 1 1 d . U . . .
C72 C 0.3936(6) 0.8644(4) 0.5758(3) 0.0405(13) Uani 1 1 d . U . . .
C73 C 0.4456(6) 0.8977(4) 0.6317(3) 0.0419(13) Uani 1 1 d . U . . .
C74 C 0.3391(7) 0.7177(5) 0.5147(3) 0.0591(18) Uani 1 1 d . U . . .
H74 H 0.313147 0.746151 0.484266 0.071 Uiso 1 1 calc R U . . .
C75 C 0.4107(7) 0.6861(5) 0.4983(3) 0.076(2) Uani 1 1 d . U . . .
H75A H 0.430790 0.650579 0.523981 0.114 Uiso 1 1 calc R U . . .
H75B H 0.466303 0.733282 0.500303 0.114 Uiso 1 1 calc R U . . .
H75C H 0.381166 0.653966 0.459984 0.114 Uiso 1 1 calc R U . . .
C76 C 0.2573(7) 0.6489(5) 0.5172(4) 0.082(3) Uani 1 1 d . U . . .
H76A H 0.227514 0.610039 0.481273 0.123 Uiso 1 1 calc R U . . .
H76B H 0.210613 0.671303 0.524995 0.123 Uiso 1 1 calc R U . . .
H76C H 0.279511 0.619774 0.546987 0.123 Uiso 1 1 calc R U . . .
C77 C 0.4750(6) 0.9831(4) 0.6633(3) 0.0495(16) Uani 1 1 d . U . . .
H77 H 0.440679 1.013250 0.637670 0.059 Uiso 1 1 calc R U . . .
C78 C 0.4447(7) 0.9867(5) 0.7150(3) 0.061(2) Uani 1 1 d . U . . .
H78A H 0.376440 0.956075 0.704417 0.092 Uiso 1 1 calc R U . . .
H78B H 0.458042 1.044662 0.730908 0.092 Uiso 1 1 calc R U . . .
H78C H 0.480298 0.961613 0.742778 0.092 Uiso 1 1 calc R U . . .
C79 C 0.5816(7) 1.0311(5) 0.6780(3) 0.064(2) Uani 1 1 d . U . . .
H79A H 0.618500 1.006192 0.705242 0.096 Uiso 1 1 calc R U . . .
H79B H 0.595494 1.089121 0.693999 0.096 Uiso 1 1 calc R U . . .
H79C H 0.598963 1.028488 0.644011 0.096 Uiso 1 1 calc R U . . .
C80 C 0.3515(5) 0.9081(4) 0.5329(3) 0.0391(13) Uani 1 1 d . U . . .
C81 C 0.2552(6) 0.8759(4) 0.5011(3) 0.0441(14) Uani 1 1 d . U . . .
H81 H 0.216503 0.825377 0.506868 0.053 Uiso 1 1 calc R U . . .
C82 C 0.2147(6) 0.9165(4) 0.4609(3) 0.0453(13) Uani 1 1 d . U . . .
C83 C 0.2734(6) 0.9882(4) 0.4520(3) 0.0481(15) Uani 1 1 d . U . . .
H83 H 0.247151 1.015080 0.423538 0.058 Uiso 1 1 calc R U . . .
C84 C 0.3681(6) 1.0216(5) 0.4826(3) 0.0486(15) Uani 1 1 d . U . . .
H84 H 0.405937 1.071931 0.475940 0.058 Uiso 1 1 calc R U . . .
C85 C 0.4094(6) 0.9826(4) 0.5234(3) 0.0456(14) Uani 1 1 d . U . . .
H85 H 0.475328 1.005401 0.544467 0.055 Uiso 1 1 calc R U . . .
C86 C 0.1133(6) 0.8846(5) 0.4309(3) 0.0506(15) Uani 1 1 d . U . . .
H86 H 0.086017 0.918190 0.408499 0.061 Uiso 1 1 calc R U . . .
C87 C -0.0419(6) 0.7921(6) 0.4036(3) 0.0632(17) Uani 1 1 d . U . . .
H87A H -0.062643 0.745821 0.371688 0.076 Uiso 1 1 calc R U . . .
H87B H -0.057462 0.839588 0.389020 0.076 Uiso 1 1 calc R U . . .
C88 C -0.0923(7) 0.7650(6) 0.4459(3) 0.0685(18) Uani 1 1 d . U . . .
H88A H -0.161835 0.741998 0.426082 0.082 Uiso 1 1 calc R U . . .
H88B H -0.072159 0.720334 0.462000 0.082 Uiso 1 1 calc R U . . .
C89 C -0.0708(7) 0.8363(6) 0.4934(3) 0.0680(18) Uani 1 1 d . U . . .
H89A H -0.001579 0.867576 0.507765 0.082 Uiso 1 1 calc R U . . .
H89B H -0.104032 0.874717 0.478796 0.082 Uiso 1 1 calc R U . . .
C90 C -0.1668(6) 0.8249(5) 0.5475(3) 0.0562(15) Uani 1 1 d . U . . .
H90 H -0.196278 0.856263 0.524042 0.067 Uiso 1 1 calc R U . . .
C91 C -0.2002(6) 0.8000(4) 0.5931(3) 0.0483(14) Uani 1 1 d . U . . .
C92 C -0.1517(6) 0.7650(4) 0.6338(3) 0.0468(14) Uani 1 1 d . U . . .
H92 H -0.093879 0.758944 0.632490 0.056 Uiso 1 1 calc R U . . .
C93 C -0.1852(6) 0.7389(4) 0.6758(3) 0.0481(14) Uani 1 1 d . U . . .
C94 C -0.2695(6) 0.7506(4) 0.6778(3) 0.0523(15) Uani 1 1 d . U . . .
H94 H -0.293550 0.733240 0.706686 0.063 Uiso 1 1 calc R U . . .
C95 C -0.3180(6) 0.7869(5) 0.6383(3) 0.0544(16) Uani 1 1 d . U . . .
H95 H -0.373607 0.796548 0.640641 0.065 Uiso 1 1 calc R U . . .
C96 C -0.2840(6) 0.8088(4) 0.5956(3) 0.0508(15) Uani 1 1 d . U . . .
H96 H -0.319141 0.830517 0.567027 0.061 Uiso 1 1 calc R U . . .
C97 C -0.1346(6) 0.6950(4) 0.7158(3) 0.0538(15) Uani 1 1 d . U . . .
C98 C -0.1354(7) 0.6142(5) 0.7020(3) 0.0623(16) Uani 1 1 d . U . . .
C99 C -0.0794(7) 0.7216(5) 0.7718(3) 0.0556(15) Uani 1 1 d . U . . .
C100 C -0.1836(8) 0.5518(5) 0.6474(3) 0.074(2) Uani 1 1 d . U . . .
H100 H -0.185093 0.496334 0.657099 0.088 Uiso 1 1 calc R U . . .
C101 C -0.1283(8) 0.5670(6) 0.6069(4) 0.094(3) Uani 1 1 d . U . . .
H10A H -0.158329 0.521334 0.574500 0.141 Uiso 1 1 calc R U . . .
H10B H -0.062643 0.570205 0.625677 0.141 Uiso 1 1 calc R U . . .
H10C H -0.128403 0.619350 0.594338 0.141 Uiso 1 1 calc R U . . .
C102 C -0.2865(8) 0.5453(5) 0.6199(4) 0.095(3) Uani 1 1 d . U . . .
H10D H -0.288904 0.599542 0.611886 0.143 Uiso 1 1 calc R U . . .
H10E H -0.322416 0.527701 0.645072 0.143 Uiso 1 1 calc R U . . .
H10F H -0.314618 0.504523 0.584834 0.143 Uiso 1 1 calc R U . . .
C103 C -0.0517(7) 0.8016(5) 0.8116(3) 0.0669(19) Uani 1 1 d . U . . .
H103 H 0.009508 0.809461 0.841848 0.080 Uiso 1 1 calc R U . . .
C104 C -0.0433(9) 0.8749(6) 0.7888(4) 0.115(4) Uani 1 1 d . U . . .
H10G H -0.104453 0.869300 0.761047 0.173 Uiso 1 1 calc R U . . .
H10H H 0.005461 0.883571 0.770831 0.173 Uiso 1 1 calc R U . . .
H10I H -0.025069 0.922405 0.818804 0.173 Uiso 1 1 calc R U . . .
C105 C -0.1321(8) 0.7932(7) 0.8385(4) 0.107(3) Uani 1 1 d . U . . .
H10J H -0.105398 0.829808 0.875205 0.161 Uiso 1 1 calc R U . . .
H10K H -0.157932 0.735590 0.842794 0.161 Uiso 1 1 calc R U . . .
H10L H -0.183125 0.808886 0.814102 0.161 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1A Au2A 3.3498(8) . ?
Au1A Au3A 3.3251(8) . ?
Au1A N1 2.001(6) . ?
Au1A N6 1.972(5) . ?
Au1B Au2B 3.311(11) . ?
Au1B Au3B 3.270(12) . ?
Au1B N1 1.977(11) . ?
Au1B N6 2.152(10) . ?
Au1C Au2C 3.379(16) . ?
Au1C Au3C 3.359(17) . ?
Au1C N1 2.127(11) . ?
Au1C N6 2.093(11) . ?
Au2A Au3A 3.3572(8) . ?
Au2A N2 1.985(6) . ?
Au2A N3 1.997(6) . ?
Au2B Au3B 3.296(12) . ?
Au2B N2 2.162(10) . ?
Au2B N3 2.067(10) . ?
Au2C N2 2.139(14) . ?
Au2C N3 2.026(14) . ?
Au3A N4 1.999(6) . ?
Au3A N5 2.000(6) . ?
Au3B N4 2.004(10) . ?
Au3B N5 2.230(10) . ?
Au3C N4 2.074(16) . ?
Au3C N5 2.076(16) . ?
Au4A Au5A 3.3613(7) . ?
Au4A Au6A 3.3554(8) . ?
Au4A N7 1.981(6) . ?
Au4A N12 1.993(6) . ?
Au4B Au5B 3.333(8) . ?
Au4B Au6B 3.362(8) . ?
Au4B N7 2.219(8) . ?
Au4B N12 1.976(9) . ?
Au4C Au5C 3.361(13) . ?
Au4C Au6C 3.376(16) . ?
Au4C N7 2.386(10) . ?
Au4C N12 1.822(11) . ?
Au5A Au6A 3.3052(9) . ?
Au5A N8 2.000(6) . ?
Au5A N9 2.003(6) . ?
Au5B Au6B 3.380(8) . ?
Au5B N8 2.080(8) . ?
Au5B N9 2.185(8) . ?
Au5C N8 2.382(10) . ?
Au5C N9 1.866(11) . ?
Au6A N10 1.994(6) . ?
Au6A N11 2.003(6) . ?
Au6B N10 2.284(7) . ?
Au6B N11 2.045(8) . ?
Au6C N10 2.008(19) . ?
Au6C N11 2.07(2) . ?
N1 N2 1.357(8) . ?
N1 C1 1.349(9) . ?
N2 C3 1.350(9) . ?
N3 N4 1.370(8) . ?
N3 C36 1.353(8) . ?
N4 C38 1.323(9) . ?
N5 N6 1.360(7) . ?
N5 C71 1.361(8) . ?
N6 C73 1.373(8) . ?
N7 N8 1.373(7) . ?
N7 C28 1.359(8) . ?
N8 C29 1.359(9) . ?
N9 N10 1.357(8) . ?
N9 C63 1.339(8) . ?
N10 C64 1.352(8) . ?
N11 N12 1.369(7) . ?
N11 C98 1.324(9) . ?
N12 C99 1.348(9) . ?
N13 C16 1.233(10) . ?
N13 C17 1.516(13) . ?
N14 C19 1.488(12) . ?
N14 C20 1.250(11) . ?
N15 C51 1.285(9) . ?
N15 C52 1.463(11) . ?
N16 C54 1.480(12) . ?
N16 C55 1.213(10) . ?
N17 C86 1.235(10) . ?
N17 C87 1.461(10) . ?
N18 C89 1.428(10) . ?
N18 C90 1.252(10) . ?
C1 C2 1.355(10) . ?
C1 C4 1.507(10) . ?
C2 C3 1.392(10) . ?
C2 C10 1.511(10) . ?
C3 C7 1.520(10) . ?
C4 H4 1.0000 . ?
C4 C5 1.502(13) . ?
C4 C6 1.516(12) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C8 1.522(11) . ?
C7 C9 1.514(12) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.359(11) . ?
C10 C15 1.371(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(10) . ?
C12 C13 1.327(13) . ?
C12 C16 1.506(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(13) . ?
C14 H14 0.9500 . ?
C14 C15 1.414(11) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.561(14) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.488(13) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20 0.9500 . ?
C20 C21 1.468(12) . ?
C21 C22 1.404(10) . ?
C21 C26 1.348(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.368(11) . ?
C23 C24 1.371(11) . ?
C23 C27 1.513(9) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.362(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(9) . ?
C27 C29 1.347(10) . ?
C28 C30 1.511(9) . ?
C29 C33 1.526(10) . ?
C30 H30 1.0000 . ?
C30 C31 1.497(12) . ?
C30 C32 1.516(12) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33 1.0000 . ?
C33 C34 1.440(13) . ?
C33 C35 1.393(13) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.363(10) . ?
C36 C39 1.506(10) . ?
C37 C38 1.418(9) . ?
C37 C45 1.486(9) . ?
C38 C42 1.504(10) . ?
C39 H39 1.0000 . ?
C39 C40 1.493(13) . ?
C39 C41 1.541(12) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42 1.0000 . ?
C42 C43 1.501(14) . ?
C42 C44 1.525(12) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.382(11) . ?
C45 C50 1.360(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.404(9) . ?
C47 C48 1.372(11) . ?
C47 C51 1.473(12) . ?
C48 H48 0.9500 . ?
C48 C49 1.378(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.393(10) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C53 1.497(12) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C54 1.534(11) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55 0.9500 . ?
C55 C56 1.520(12) . ?
C56 C57 1.411(12) . ?
C56 C61 1.383(10) . ?
C57 H57 0.9500 . ?
C57 C58 1.354(12) . ?
C58 H58 0.9500 . ?
C58 C59 1.406(10) . ?
C59 H59 0.9500 . ?
C59 C60 1.392(11) . ?
C60 C61 1.381(11) . ?
C60 C62 1.494(9) . ?
C61 H61 0.9500 . ?
C62 C63 1.391(9) . ?
C62 C64 1.408(9) . ?
C63 C65 1.535(9) . ?
C64 C68 1.486(9) . ?
C65 H65 1.0000 . ?
C65 C66 1.516(11) . ?
C65 C67 1.486(12) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68 1.0000 . ?
C68 C69 1.508(12) . ?
C68 C70 1.540(11) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.381(9) . ?
C71 C74 1.508(9) . ?
C72 C73 1.386(9) . ?
C72 C80 1.482(9) . ?
C73 C77 1.483(9) . ?
C74 H74 1.0000 . ?
C74 C75 1.526(11) . ?
C74 C76 1.481(13) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77 1.0000 . ?
C77 C78 1.525(10) . ?
C77 C79 1.536(11) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 C81 1.392(10) . ?
C80 C85 1.417(10) . ?
C81 H81 0.9500 . ?
C81 C82 1.392(9) . ?
C82 C83 1.381(10) . ?
C82 C86 1.447(11) . ?
C83 H83 0.9500 . ?
C83 C84 1.367(11) . ?
C84 H84 0.9500 . ?
C84 C85 1.389(9) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.536(11) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C88 C89 1.531(11) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90 0.9500 . ?
C90 C91 1.451(11) . ?
C91 C92 1.388(9) . ?
C91 C96 1.382(11) . ?
C92 H92 0.9500 . ?
C92 C93 1.375(10) . ?
C93 C94 1.405(11) . ?
C93 C97 1.499(9) . ?
C94 H94 0.9500 . ?
C94 C95 1.386(10) . ?
C95 H95 0.9500 . ?
C95 C96 1.376(11) . ?
C96 H96 0.9500 . ?
C97 C98 1.400(10) . ?
C97 C99 1.386(10) . ?
C98 C100 1.517(10) . ?
C99 C103 1.502(10) . ?
C100 H100 1.0000 . ?
C100 C101 1.521(14) . ?
C100 C102 1.520(13) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 H103 1.0000 . ?
C103 C104 1.418(12) . ?
C103 C105 1.575(14) . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C105 H10K 0.9800 . ?
C105 H10L 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au3A Au1A Au2A 60.390(17) . . ?
N1 Au1A Au2A 59.73(16) . . ?
N1 Au1A Au3A 120.09(16) . . ?
N6 Au1A Au2A 120.67(15) . . ?
N6 Au1A Au3A 60.35(15) . . ?
N6 Au1A N1 179.1(3) . . ?
Au3B Au1B Au2B 60.1(3) . . ?
N1 Au1B Au2B 67.2(3) . . ?
N1 Au1B Au3B 124.0(5) . . ?
N1 Au1B N6 148.4(5) . . ?
N6 Au1B Au2B 123.9(4) . . ?
N6 Au1B Au3B 65.2(3) . . ?
Au3C Au1C Au2C 60.5(4) . . ?
N1 Au1C Au2C 60.9(3) . . ?
N1 Au1C Au3C 118.2(5) . . ?
N6 Au1C Au2C 117.4(4) . . ?
N6 Au1C Au3C 61.4(4) . . ?
N6 Au1C N1 140.6(6) . . ?
Au1A Au2A Au3A 59.441(17) . . ?
N2 Au2A Au1A 60.07(16) . . ?
N2 Au2A Au3A 119.47(17) . . ?
N2 Au2A N3 179.2(3) . . ?
N3 Au2A Au1A 119.63(17) . . ?
N3 Au2A Au3A 60.26(17) . . ?
Au3B Au2B Au1B 59.3(3) . . ?
N2 Au2B Au1B 56.6(3) . . ?
N2 Au2B Au3B 113.9(3) . . ?
N3 Au2B Au1B 113.4(4) . . ?
N3 Au2B Au3B 59.6(3) . . ?
N3 Au2B N2 140.6(5) . . ?
N2 Au2C Au1C 62.3(4) . . ?
N3 Au2C Au1C 119.5(5) . . ?
N3 Au2C N2 146.0(7) . . ?
Au1A Au3A Au2A 60.170(17) . . ?
N4 Au3A Au1A 120.16(17) . . ?
N4 Au3A Au2A 60.09(17) . . ?
N4 Au3A N5 178.5(3) . . ?
N5 Au3A Au1A 60.32(15) . . ?
N5 Au3A Au2A 120.46(15) . . ?
Au1B Au3B Au2B 60.6(2) . . ?
N4 Au3B Au1B 118.3(4) . . ?
N4 Au3B Au2B 63.9(3) . . ?
N4 Au3B N5 141.5(5) . . ?
N5 Au3B Au1B 63.1(3) . . ?
N5 Au3B Au2B 121.8(4) . . ?
N4 Au3C Au1C 117.7(6) . . ?
N4 Au3C N5 148.9(7) . . ?
N5 Au3C Au1C 61.3(4) . . ?
Au6A Au4A Au5A 58.955(18) . . ?
N7 Au4A Au5A 60.43(16) . . ?
N7 Au4A Au6A 119.39(16) . . ?
N7 Au4A N12 177.5(3) . . ?
N12 Au4A Au5A 119.10(16) . . ?
N12 Au4A Au6A 60.21(16) . . ?
Au5B Au4B Au6B 60.64(16) . . ?
N7 Au4B Au5B 60.7(2) . . ?
N7 Au4B Au6B 118.4(3) . . ?
N12 Au4B Au5B 118.6(3) . . ?
N12 Au4B Au6B 62.2(2) . . ?
N12 Au4B N7 142.5(5) . . ?
Au5C Au4C Au6C 60.3(4) . . ?
N7 Au4C Au5C 65.2(3) . . ?
N7 Au4C Au6C 120.1(4) . . ?
N12 Au4C Au5C 123.8(4) . . ?
N12 Au4C Au6C 65.8(5) . . ?
N12 Au4C N7 141.1(7) . . ?
Au6A Au5A Au4A 60.433(18) . . ?
N8 Au5A Au4A 59.61(16) . . ?
N8 Au5A Au6A 120.02(16) . . ?
N8 Au5A N9 178.6(3) . . ?
N9 Au5A Au4A 121.01(17) . . ?
N9 Au5A Au6A 60.58(17) . . ?
Au4B Au5B Au6B 60.10(17) . . ?
N8 Au5B Au4B 65.1(2) . . ?
N8 Au5B Au6B 122.4(3) . . ?
N8 Au5B N9 139.6(4) . . ?
N9 Au5B Au4B 119.6(3) . . ?
N9 Au5B Au6B 64.8(2) . . ?
N8 Au5C Au4C 65.5(3) . . ?
N9 Au5C Au4C 122.0(5) . . ?
N9 Au5C N8 140.6(6) . . ?
Au5A Au6A Au4A 60.612(15) . . ?
N10 Au6A Au4A 121.55(16) . . ?
N10 Au6A Au5A 61.00(16) . . ?
N10 Au6A N11 177.6(3) . . ?
N11 Au6A Au4A 60.12(16) . . ?
N11 Au6A Au5A 120.54(16) . . ?
Au4B Au6B Au5B 59.26(16) . . ?
N10 Au6B Au4B 114.4(3) . . ?
N10 Au6B Au5B 61.3(2) . . ?
N11 Au6B Au4B 58.4(2) . . ?
N11 Au6B Au5B 113.9(3) . . ?
N11 Au6B N10 134.7(4) . . ?
N10 Au6C Au4C 111.7(6) . . ?
N10 Au6C N11 157.5(8) . . ?
N11 Au6C Au4C 52.3(4) . . ?
N2 N1 Au1A 119.6(4) . . ?
N2 N1 Au1B 111.9(5) . . ?
N2 N1 Au1C 120.4(5) . . ?
C1 N1 Au1A 131.0(5) . . ?
C1 N1 Au1B 132.6(6) . . ?
C1 N1 Au1C 129.1(6) . . ?
C1 N1 N2 108.7(6) . . ?
N1 N2 Au2A 119.9(4) . . ?
N1 N2 Au2B 124.0(5) . . ?
N1 N2 Au2C 116.0(6) . . ?
C3 N2 Au2A 132.4(5) . . ?
C3 N2 Au2B 124.9(5) . . ?
C3 N2 Au2C 132.0(6) . . ?
C3 N2 N1 107.7(6) . . ?
N4 N3 Au2A 119.7(4) . . ?
N4 N3 Au2B 121.1(5) . . ?
N4 N3 Au2C 118.1(6) . . ?
C36 N3 Au2A 133.2(5) . . ?
C36 N3 Au2B 128.0(6) . . ?
C36 N3 Au2C 129.8(7) . . ?
C36 N3 N4 107.1(6) . . ?
N3 N4 Au3A 120.0(4) . . ?
N3 N4 Au3B 115.4(5) . . ?
N3 N4 Au3C 121.1(6) . . ?
C38 N4 Au3A 130.4(5) . . ?
C38 N4 Au3B 130.0(6) . . ?
C38 N4 Au3C 126.5(6) . . ?
C38 N4 N3 109.6(6) . . ?
N6 N5 Au3A 118.7(4) . . ?
N6 N5 Au3B 115.4(5) . . ?
N6 N5 Au3C 119.3(6) . . ?
N6 N5 C71 109.1(5) . . ?
C71 N5 Au3A 132.3(4) . . ?
C71 N5 Au3B 131.6(5) . . ?
C71 N5 Au3C 128.5(6) . . ?
N5 N6 Au1A 120.6(4) . . ?
N5 N6 Au1B 116.2(5) . . ?
N5 N6 Au1C 117.8(5) . . ?
N5 N6 C73 107.6(5) . . ?
C73 N6 Au1A 131.8(4) . . ?
C73 N6 Au1B 133.7(5) . . ?
C73 N6 Au1C 129.2(6) . . ?
N8 N7 Au4A 119.6(4) . . ?
N8 N7 Au4B 117.2(5) . . ?
N8 N7 Au4C 114.8(5) . . ?
C28 N7 Au4A 132.7(5) . . ?
C28 N7 Au4B 128.5(5) . . ?
C28 N7 Au4C 136.3(5) . . ?
C28 N7 N8 107.5(5) . . ?
N7 N8 Au5A 120.2(4) . . ?
N7 N8 Au5B 116.9(5) . . ?
N7 N8 Au5C 114.3(5) . . ?
C29 N8 Au5A 131.7(5) . . ?
C29 N8 Au5B 127.9(5) . . ?
C29 N8 Au5C 135.4(5) . . ?
C29 N8 N7 108.1(5) . . ?
N10 N9 Au5A 119.3(4) . . ?
N10 N9 Au5B 116.1(5) . . ?
N10 N9 Au5C 111.5(5) . . ?
C63 N9 Au5A 131.7(5) . . ?
C63 N9 Au5B 128.7(5) . . ?
C63 N9 Au5C 135.3(6) . . ?
C63 N9 N10 108.9(5) . . ?
N9 N10 Au6A 118.9(4) . . ?
N9 N10 Au6B 117.3(5) . . ?
N9 N10 Au6C 129.5(5) . . ?
C64 N10 Au6A 131.2(5) . . ?
C64 N10 Au6B 122.6(5) . . ?
C64 N10 Au6C 121.4(6) . . ?
C64 N10 N9 109.0(6) . . ?
N12 N11 Au6A 119.5(4) . . ?
N12 N11 Au6B 121.8(5) . . ?
N12 N11 Au6C 128.7(6) . . ?
C98 N11 Au6A 131.3(5) . . ?
C98 N11 Au6B 123.3(6) . . ?
C98 N11 Au6C 121.3(6) . . ?
C98 N11 N12 109.2(6) . . ?
N11 N12 Au4A 120.0(4) . . ?
N11 N12 Au4B 117.6(5) . . ?
N11 N12 Au4C 112.8(5) . . ?
C99 N12 Au4A 132.1(5) . . ?
C99 N12 Au4B 127.3(5) . . ?
C99 N12 Au4C 135.6(6) . . ?
C99 N12 N11 107.8(6) . . ?
C16 N13 C17 114.3(10) . . ?
C20 N14 C19 115.3(8) . . ?
C51 N15 C52 118.6(8) . . ?
C55 N16 C54 111.9(9) . . ?
C86 N17 C87 119.0(7) . . ?
C90 N18 C89 117.7(8) . . ?
N1 C1 C2 108.8(6) . . ?
N1 C1 C4 119.0(6) . . ?
C2 C1 C4 132.2(7) . . ?
C1 C2 C3 106.5(6) . . ?
C1 C2 C10 129.6(7) . . ?
C3 C2 C10 123.9(7) . . ?
N2 C3 C2 108.2(6) . . ?
N2 C3 C7 118.4(6) . . ?
C2 C3 C7 133.4(7) . . ?
C1 C4 H4 107.1 . . ?
C1 C4 C6 111.7(8) . . ?
C5 C4 C1 112.1(8) . . ?
C5 C4 H4 107.1 . . ?
C5 C4 C6 111.3(8) . . ?
C6 C4 H4 107.1 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C7 H7 107.9 . . ?
C3 C7 C8 112.8(7) . . ?
C8 C7 H7 107.9 . . ?
C9 C7 C3 109.4(7) . . ?
C9 C7 H7 107.9 . . ?
C9 C7 C8 110.8(8) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C2 118.4(8) . . ?
C11 C10 C15 119.2(8) . . ?
C15 C10 C2 122.1(8) . . ?
C10 C11 H11 118.8 . . ?
C10 C11 C12 122.4(9) . . ?
C12 C11 H11 118.8 . . ?
C11 C12 C16 118.9(9) . . ?
C13 C12 C11 118.1(10) . . ?
C13 C12 C16 122.5(8) . . ?
C12 C13 H13 118.5 . . ?
C12 C13 C14 123.1(9) . . ?
C14 C13 H13 118.5 . . ?
C13 C14 H14 121.3 . . ?
C13 C14 C15 117.3(10) . . ?
C15 C14 H14 121.3 . . ?
C10 C15 C14 119.8(9) . . ?
C10 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
N13 C16 C12 123.1(10) . . ?
N13 C16 H16 118.4 . . ?
C12 C16 H16 118.4 . . ?
N13 C17 H17A 110.7 . . ?
N13 C17 H17B 110.7 . . ?
N13 C17 C18 105.2(9) . . ?
H17A C17 H17B 108.8 . . ?
C18 C17 H17A 110.7 . . ?
C18 C17 H17B 110.7 . . ?
C17 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 C17 109.7(9) . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
N14 C19 C18 107.2(8) . . ?
N14 C19 H19A 110.3 . . ?
N14 C19 H19B 110.3 . . ?
C18 C19 H19A 110.3 . . ?
C18 C19 H19B 110.3 . . ?
H19A C19 H19B 108.5 . . ?
N14 C20 H20 119.6 . . ?
N14 C20 C21 120.8(8) . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 121.7(8) . . ?
C26 C21 C20 118.8(7) . . ?
C26 C21 C22 119.5(8) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(8) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 118.7(7) . . ?
C22 C23 C27 121.1(8) . . ?
C24 C23 C27 120.2(8) . . ?
C23 C24 H24 118.9 . . ?
C23 C24 C25 122.3(9) . . ?
C25 C24 H24 118.9 . . ?
C24 C25 H25 121.4 . . ?
C26 C25 C24 117.2(9) . . ?
C26 C25 H25 121.4 . . ?
C21 C26 C25 122.5(8) . . ?
C21 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C28 C27 C23 125.9(6) . . ?
C29 C27 C23 126.4(7) . . ?
C29 C27 C28 107.6(6) . . ?
N7 C28 C27 108.0(6) . . ?
N7 C28 C30 123.0(6) . . ?
C27 C28 C30 128.9(6) . . ?
N8 C29 C33 120.4(7) . . ?
C27 C29 N8 108.7(6) . . ?
C27 C29 C33 130.8(7) . . ?
C28 C30 H30 106.1 . . ?
C28 C30 C32 112.5(7) . . ?
C31 C30 C28 110.6(7) . . ?
C31 C30 H30 106.1 . . ?
C31 C30 C32 114.6(7) . . ?
C32 C30 H30 106.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 H33 94.1 . . ?
C34 C33 C29 112.6(9) . . ?
C34 C33 H33 94.1 . . ?
C35 C33 C29 114.6(9) . . ?
C35 C33 H33 94.1 . . ?
C35 C33 C34 131.2(9) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N3 C36 C37 109.9(6) . . ?
N3 C36 C39 122.6(7) . . ?
C37 C36 C39 127.5(6) . . ?
C36 C37 C38 105.3(6) . . ?
C36 C37 C45 127.4(6) . . ?
C38 C37 C45 127.3(7) . . ?
N4 C38 C37 108.1(6) . . ?
N4 C38 C42 119.9(6) . . ?
C37 C38 C42 132.0(7) . . ?
C36 C39 H39 106.6 . . ?
C36 C39 C41 109.8(7) . . ?
C40 C39 C36 115.0(8) . . ?
C40 C39 H39 106.6 . . ?
C40 C39 C41 111.8(8) . . ?
C41 C39 H39 106.6 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C38 C42 H42 107.3 . . ?
C38 C42 C44 113.1(7) . . ?
C43 C42 C38 110.7(8) . . ?
C43 C42 H42 107.3 . . ?
C43 C42 C44 110.9(8) . . ?
C44 C42 H42 107.3 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C37 120.0(8) . . ?
C50 C45 C37 121.3(8) . . ?
C50 C45 C46 118.7(7) . . ?
C45 C46 H46 119.9 . . ?
C45 C46 C47 120.3(8) . . ?
C47 C46 H46 119.9 . . ?
C46 C47 C51 119.1(8) . . ?
C48 C47 C46 120.1(8) . . ?
C48 C47 C51 120.8(7) . . ?
C47 C48 H48 120.2 . . ?
C47 C48 C49 119.6(7) . . ?
C49 C48 H48 120.2 . . ?
C48 C49 H49 120.2 . . ?
C48 C49 C50 119.6(8) . . ?
C50 C49 H49 120.2 . . ?
C45 C50 C49 121.7(9) . . ?
C45 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
N15 C51 C47 122.3(8) . . ?
N15 C51 H51 118.8 . . ?
C47 C51 H51 118.8 . . ?
N15 C52 H52A 109.1 . . ?
N15 C52 H52B 109.1 . . ?
N15 C52 C53 112.5(8) . . ?
H52A C52 H52B 107.8 . . ?
C53 C52 H52A 109.1 . . ?
C53 C52 H52B 109.1 . . ?
C52 C53 H53A 108.8 . . ?
C52 C53 H53B 108.8 . . ?
C52 C53 C54 114.0(8) . . ?
H53A C53 H53B 107.6 . . ?
C54 C53 H53A 108.8 . . ?
C54 C53 H53B 108.8 . . ?
N16 C54 C53 107.7(8) . . ?
N16 C54 H54A 110.2 . . ?
N16 C54 H54B 110.2 . . ?
C53 C54 H54A 110.2 . . ?
C53 C54 H54B 110.2 . . ?
H54A C54 H54B 108.5 . . ?
N16 C55 H55 119.6 . . ?
N16 C55 C56 120.8(10) . . ?
C56 C55 H55 119.6 . . ?
C57 C56 C55 125.3(7) . . ?
C61 C56 C55 118.5(9) . . ?
C61 C56 C57 116.3(8) . . ?
C56 C57 H57 118.7 . . ?
C58 C57 C56 122.5(8) . . ?
C58 C57 H57 118.7 . . ?
C57 C58 H58 120.2 . . ?
C57 C58 C59 119.5(9) . . ?
C59 C58 H58 120.2 . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.9(8) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 C62 120.3(7) . . ?
C61 C60 C59 118.6(7) . . ?
C61 C60 C62 121.1(8) . . ?
C56 C61 H61 118.4 . . ?
C60 C61 C56 123.2(9) . . ?
C60 C61 H61 118.4 . . ?
C63 C62 C60 128.2(6) . . ?
C63 C62 C64 105.7(6) . . ?
C64 C62 C60 125.9(6) . . ?
N9 C63 C62 108.8(6) . . ?
N9 C63 C65 119.3(6) . . ?
C62 C63 C65 131.8(6) . . ?
N10 C64 C62 107.6(6) . . ?
N10 C64 C68 125.0(6) . . ?
C62 C64 C68 127.4(6) . . ?
C63 C65 H65 107.0 . . ?
C66 C65 C63 111.4(7) . . ?
C66 C65 H65 107.0 . . ?
C67 C65 C63 113.1(8) . . ?
C67 C65 H65 107.0 . . ?
C67 C65 C66 110.8(7) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C64 C68 H68 106.6 . . ?
C64 C68 C69 110.9(7) . . ?
C64 C68 C70 112.5(7) . . ?
C69 C68 H68 106.6 . . ?
C69 C68 C70 113.1(7) . . ?
C70 C68 H68 106.6 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N5 C71 C72 108.2(6) . . ?
N5 C71 C74 122.9(6) . . ?
C72 C71 C74 128.7(6) . . ?
C71 C72 C73 106.7(6) . . ?
C71 C72 C80 126.5(6) . . ?
C73 C72 C80 126.8(6) . . ?
N6 C73 C72 108.4(5) . . ?
N6 C73 C77 121.4(6) . . ?
C72 C73 C77 130.1(6) . . ?
C71 C74 H74 106.8 . . ?
C71 C74 C75 112.0(7) . . ?
C75 C74 H74 106.8 . . ?
C76 C74 C71 112.0(7) . . ?
C76 C74 H74 106.8 . . ?
C76 C74 C75 111.9(7) . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C74 C76 H76A 109.5 . . ?
C74 C76 H76B 109.5 . . ?
C74 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C73 C77 H77 106.3 . . ?
C73 C77 C78 113.4(7) . . ?
C73 C77 C79 112.9(7) . . ?
C78 C77 H77 106.3 . . ?
C78 C77 C79 111.1(6) . . ?
C79 C77 H77 106.3 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C81 C80 C72 120.7(7) . . ?
C81 C80 C85 119.2(6) . . ?
C85 C80 C72 120.1(7) . . ?
C80 C81 H81 119.4 . . ?
C80 C81 C82 121.3(7) . . ?
C82 C81 H81 119.4 . . ?
C81 C82 C86 120.1(8) . . ?
C83 C82 C81 118.1(7) . . ?
C83 C82 C86 121.8(7) . . ?
C82 C83 H83 118.9 . . ?
C84 C83 C82 122.2(7) . . ?
C84 C83 H83 118.9 . . ?
C83 C84 H84 119.8 . . ?
C83 C84 C85 120.4(8) . . ?
C85 C84 H84 119.8 . . ?
C80 C85 H85 120.6 . . ?
C84 C85 C80 118.9(7) . . ?
C84 C85 H85 120.6 . . ?
N17 C86 C82 123.6(7) . . ?
N17 C86 H86 118.2 . . ?
C82 C86 H86 118.2 . . ?
N17 C87 H87A 110.3 . . ?
N17 C87 H87B 110.3 . . ?
N17 C87 C88 107.3(7) . . ?
H87A C87 H87B 108.5 . . ?
C88 C87 H87A 110.3 . . ?
C88 C87 H87B 110.3 . . ?
C87 C88 H88A 109.0 . . ?
C87 C88 H88B 109.0 . . ?
H88A C88 H88B 107.8 . . ?
C89 C88 C87 112.9(8) . . ?
C89 C88 H88A 109.0 . . ?
C89 C88 H88B 109.0 . . ?
N18 C89 C88 111.5(8) . . ?
N18 C89 H89A 109.3 . . ?
N18 C89 H89B 109.3 . . ?
C88 C89 H89A 109.3 . . ?
C88 C89 H89B 109.3 . . ?
H89A C89 H89B 108.0 . . ?
N18 C90 H90 118.9 . . ?
N18 C90 C91 122.1(8) . . ?
C91 C90 H90 118.9 . . ?
C92 C91 C90 121.8(8) . . ?
C96 C91 C90 119.6(7) . . ?
C96 C91 C92 118.5(7) . . ?
C91 C92 H92 119.1 . . ?
C93 C92 C91 121.7(8) . . ?
C93 C92 H92 119.1 . . ?
C92 C93 C94 118.2(7) . . ?
C92 C93 C97 119.5(7) . . ?
C94 C93 C97 122.2(7) . . ?
C93 C94 H94 119.5 . . ?
C95 C94 C93 121.0(8) . . ?
C95 C94 H94 119.5 . . ?
C94 C95 H95 120.6 . . ?
C96 C95 C94 118.7(8) . . ?
C96 C95 H95 120.6 . . ?
C91 C96 H96 119.2 . . ?
C95 C96 C91 121.7(7) . . ?
C95 C96 H96 119.2 . . ?
C98 C97 C93 124.6(6) . . ?
C99 C97 C93 130.1(6) . . ?
C99 C97 C98 105.3(6) . . ?
N11 C98 C97 108.8(6) . . ?
N11 C98 C100 120.2(6) . . ?
C97 C98 C100 131.0(7) . . ?
N12 C99 C97 108.9(6) . . ?
N12 C99 C103 119.1(7) . . ?
C97 C99 C103 131.9(7) . . ?
C98 C100 H100 106.5 . . ?
C98 C100 C101 113.0(8) . . ?
C98 C100 C102 112.4(8) . . ?
C101 C100 H100 106.5 . . ?
C102 C100 H100 106.5 . . ?
C102 C100 C101 111.4(8) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C100 C102 H10D 109.5 . . ?
C100 C102 H10E 109.5 . . ?
C100 C102 H10F 109.5 . . ?
H10D C102 H10E 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C99 C103 H103 108.9 . . ?
C99 C103 C105 107.3(8) . . ?
C104 C103 C99 117.4(8) . . ?
C104 C103 H103 108.9 . . ?
C104 C103 C105 105.1(9) . . ?
C105 C103 H103 108.9 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10H 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C105 H10J 109.5 . . ?
C103 C105 H10K 109.5 . . ?
C103 C105 H10L 109.5 . . ?
H10J C105 H10K 109.5 . . ?
H10J C105 H10L 109.5 . . ?
H10K C105 H10L 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1A N1 N2 Au2A 10.9(8) . . . . ?
Au1A N1 N2 C3 -170.9(5) . . . . ?
Au1A N1 C1 C2 169.4(6) . . . . ?
Au1A N1 C1 C4 -10.8(13) . . . . ?
Au1A N6 C73 C72 176.6(5) . . . . ?
Au1A N6 C73 C77 -2.0(12) . . . . ?
Au1B N1 N2 Au2B 5.8(8) . . . . ?
Au1B N1 N2 C3 -154.2(6) . . . . ?
Au1B N1 C1 C2 146.9(7) . . . . ?
Au1B N1 C1 C4 -33.3(13) . . . . ?
Au1B N6 C73 C72 -162.5(6) . . . . ?
Au1B N6 C73 C77 18.9(13) . . . . ?
Au1C N1 N2 Au2C 7.4(9) . . . . ?
Au1C N1 N2 C3 167.0(6) . . . . ?
Au1C N1 C1 C2 -165.6(7) . . . . ?
Au1C N1 C1 C4 14.2(13) . . . . ?
Au1C N6 C73 C72 151.1(6) . . . . ?
Au1C N6 C73 C77 -27.5(12) . . . . ?
Au2A N2 C3 C2 177.5(6) . . . . ?
Au2A N2 C3 C7 -4.2(13) . . . . ?
Au2A N3 N4 Au3A -1.1(9) . . . . ?
Au2A N3 N4 C38 179.9(6) . . . . ?
Au2A N3 C36 C37 -179.3(7) . . . . ?
Au2A N3 C36 C39 -0.6(15) . . . . ?
Au2B N2 C3 C2 -160.2(6) . . . . ?
Au2B N2 C3 C7 18.0(11) . . . . ?
Au2B N3 N4 Au3B 0.2(9) . . . . ?
Au2B N3 N4 C38 -157.2(6) . . . . ?
Au2B N3 C36 C37 155.5(7) . . . . ?
Au2B N3 C36 C39 -25.9(14) . . . . ?
Au2C N2 C3 C2 154.7(7) . . . . ?
Au2C N2 C3 C7 -27.1(13) . . . . ?
Au2C N3 N4 Au3C -2.5(10) . . . . ?
Au2C N3 N4 C38 159.6(7) . . . . ?
Au2C N3 C36 C37 -155.8(8) . . . . ?
Au2C N3 C36 C39 22.8(14) . . . . ?
Au3A N4 C38 C37 179.5(6) . . . . ?
Au3A N4 C38 C42 0.0(14) . . . . ?
Au3A N5 N6 Au1A 2.7(8) . . . . ?
Au3A N5 N6 C73 -178.7(5) . . . . ?
Au3A N5 C71 C72 180.0(6) . . . . ?
Au3A N5 C71 C74 -4.0(13) . . . . ?
Au3B N4 C38 C37 -154.7(7) . . . . ?
Au3B N4 C38 C42 25.7(14) . . . . ?
Au3B N5 N6 Au1B 5.1(7) . . . . ?
Au3B N5 N6 C73 -159.5(6) . . . . ?
Au3B N5 C71 C72 156.5(6) . . . . ?
Au3B N5 C71 C74 -27.6(12) . . . . ?
Au3C N4 C38 C37 159.3(7) . . . . ?
Au3C N4 C38 C42 -20.3(13) . . . . ?
Au3C N5 N6 Au1C 6.1(9) . . . . ?
Au3C N5 N6 C73 162.6(7) . . . . ?
Au3C N5 C71 C72 -159.1(7) . . . . ?
Au3C N5 C71 C74 16.9(13) . . . . ?
Au4A N7 N8 Au5A 5.2(8) . . . . ?
Au4A N7 N8 C29 -171.8(6) . . . . ?
Au4A N7 C28 C27 171.3(6) . . . . ?
Au4A N7 C28 C30 -7.8(13) . . . . ?
Au4A N12 C99 C97 -178.0(6) . . . . ?
Au4A N12 C99 C103 3.3(14) . . . . ?
Au4B N7 N8 Au5B 2.4(8) . . . . ?
Au4B N7 N8 C29 -150.5(6) . . . . ?
Au4B N7 C28 C27 147.1(7) . . . . ?
Au4B N7 C28 C30 -32.1(12) . . . . ?
Au4B N12 C99 C97 -151.2(7) . . . . ?
Au4B N12 C99 C103 30.1(13) . . . . ?
Au4C Au5C N9 N10 26.8(9) . . . . ?
Au4C Au5C N9 C63 -179.9(8) . . . . ?
Au4C N7 N8 Au5C 5.8(8) . . . . ?
Au4C N7 N8 C29 171.5(6) . . . . ?
Au4C N7 C28 C27 -167.3(7) . . . . ?
Au4C N7 C28 C30 13.5(14) . . . . ?
Au4C N12 C99 C97 153.1(9) . . . . ?
Au4C N12 C99 C103 -25.6(15) . . . . ?
Au5A N8 C29 C27 -178.8(6) . . . . ?
Au5A N8 C29 C33 0.9(13) . . . . ?
Au5A N9 N10 Au6A -5.9(9) . . . . ?
Au5A N9 N10 C64 -176.2(6) . . . . ?
Au5A N9 C63 C62 177.1(6) . . . . ?
Au5A N9 C63 C65 -5.8(13) . . . . ?
Au5B N8 C29 C27 -151.4(7) . . . . ?
Au5B N8 C29 C33 28.4(13) . . . . ?
Au5B N9 N10 Au6B -8.5(8) . . . . ?
Au5B N9 N10 C64 -153.6(6) . . . . ?
Au5B N9 C63 C62 150.8(6) . . . . ?
Au5B N9 C63 C65 -32.2(12) . . . . ?
Au5C Au4C N12 N11 -21.8(9) . . . . ?
Au5C Au4C N12 C99 -176.2(8) . . . . ?
Au5C N8 C29 C27 158.9(7) . . . . ?
Au5C N8 C29 C33 -21.4(14) . . . . ?
Au5C N9 N10 Au6C -22.3(13) . . . . ?
Au5C N9 N10 C64 161.5(7) . . . . ?
Au5C N9 C63 C62 -153.4(8) . . . . ?
Au5C N9 C63 C65 23.6(14) . . . . ?
Au6A N10 C64 C62 -170.7(6) . . . . ?
Au6A N10 C64 C68 10.9(14) . . . . ?
Au6A N11 N12 Au4A -5.3(9) . . . . ?
Au6A N11 N12 C99 178.4(6) . . . . ?
Au6A N11 C98 C97 -176.5(7) . . . . ?
Au6A N11 C98 C100 2.7(15) . . . . ?
Au6B N10 C64 C62 -144.8(6) . . . . ?
Au6B N10 C64 C68 36.8(12) . . . . ?
Au6B N11 N12 Au4B -0.2(9) . . . . ?
Au6B N11 N12 C99 -152.7(7) . . . . ?
Au6B N11 C98 C97 153.6(7) . . . . ?
Au6B N11 C98 C100 -27.2(13) . . . . ?
Au6C Au4C N12 N11 -4.6(6) . . . . ?
Au6C Au4C N12 C99 -159.0(11) . . . . ?
Au6C N10 C64 C62 -178.5(10) . . . . ?
Au6C N10 C64 C68 3.0(15) . . . . ?
Au6C N11 N12 Au4C 8.8(12) . . . . ?
Au6C N11 N12 C99 170.3(10) . . . . ?
Au6C N11 C98 C97 -169.9(10) . . . . ?
Au6C N11 C98 C100 9.3(15) . . . . ?
N1 N2 C3 C2 -0.5(10) . . . . ?
N1 N2 C3 C7 177.8(7) . . . . ?
N1 C1 C2 C3 0.8(11) . . . . ?
N1 C1 C2 C10 -178.9(8) . . . . ?
N1 C1 C4 C5 -113.5(9) . . . . ?
N1 C1 C4 C6 120.8(9) . . . . ?
N2 N1 C1 C2 -1.1(10) . . . . ?
N2 N1 C1 C4 178.6(8) . . . . ?
N2 C3 C7 C8 147.2(8) . . . . ?
N2 C3 C7 C9 -89.0(9) . . . . ?
N3 N4 C38 C37 -1.6(11) . . . . ?
N3 N4 C38 C42 178.9(8) . . . . ?
N3 C36 C37 C38 1.3(11) . . . . ?
N3 C36 C37 C45 -179.3(9) . . . . ?
N3 C36 C39 C40 -63.4(12) . . . . ?
N3 C36 C39 C41 63.6(12) . . . . ?
N4 N3 C36 C37 -2.3(11) . . . . ?
N4 N3 C36 C39 176.4(8) . . . . ?
N4 C38 C42 C43 -96.5(10) . . . . ?
N4 C38 C42 C44 138.4(9) . . . . ?
N5 N6 C73 C72 -1.8(9) . . . . ?
N5 N6 C73 C77 179.6(7) . . . . ?
N5 C71 C72 C73 -1.7(10) . . . . ?
N5 C71 C72 C80 -179.5(7) . . . . ?
N5 C71 C74 C75 -59.2(11) . . . . ?
N5 C71 C74 C76 67.5(11) . . . . ?
N6 N5 C71 C72 0.6(9) . . . . ?
N6 N5 C71 C74 176.6(8) . . . . ?
N6 C73 C77 C78 -56.2(10) . . . . ?
N6 C73 C77 C79 71.3(10) . . . . ?
N7 Au4C N12 N11 -113.2(8) . . . . ?
N7 Au4C N12 C99 92.3(12) . . . . ?
N7 N8 C29 C27 -2.4(10) . . . . ?
N7 N8 C29 C33 177.4(8) . . . . ?
N7 C28 C30 C31 -61.7(11) . . . . ?
N7 C28 C30 C32 67.9(11) . . . . ?
N8 Au5C N9 N10 116.2(9) . . . . ?
N8 Au5C N9 C63 -90.5(13) . . . . ?
N8 N7 C28 C27 -2.6(10) . . . . ?
N8 N7 C28 C30 178.2(8) . . . . ?
N8 C29 C33 C34 92.6(12) . . . . ?
N8 C29 C33 C35 -99.9(11) . . . . ?
N9 N10 C64 C62 -2.0(10) . . . . ?
N9 N10 C64 C68 179.6(8) . . . . ?
N9 C63 C65 C66 135.5(9) . . . . ?
N9 C63 C65 C67 -98.8(10) . . . . ?
N10 N9 C63 C62 0.3(10) . . . . ?
N10 N9 C63 C65 177.4(8) . . . . ?
N10 C64 C68 C69 -76.3(11) . . . . ?
N10 C64 C68 C70 51.5(12) . . . . ?
N11 N12 C99 C97 -2.2(11) . . . . ?
N11 N12 C99 C103 179.1(8) . . . . ?
N11 C98 C100 C101 -97.8(10) . . . . ?
N11 C98 C100 C102 135.1(10) . . . . ?
N12 N11 C98 C97 0.1(11) . . . . ?
N12 N11 C98 C100 179.3(9) . . . . ?
N12 C99 C103 C104 148.3(10) . . . . ?
N12 C99 C103 C105 -93.7(10) . . . . ?
N13 C17 C18 C19 175.2(8) . . . . ?
N14 C20 C21 C22 -9.3(13) . . . . ?
N14 C20 C21 C26 168.2(8) . . . . ?
N15 C52 C53 C54 73.0(11) . . . . ?
N16 C55 C56 C57 -2.7(13) . . . . ?
N16 C55 C56 C61 177.0(8) . . . . ?
N17 C87 C88 C89 65.5(9) . . . . ?
N18 C90 C91 C92 9.7(12) . . . . ?
N18 C90 C91 C96 -168.3(8) . . . . ?
C1 N1 N2 Au2A -177.3(6) . . . . ?
C1 N1 N2 Au2B 161.0(6) . . . . ?
C1 N1 N2 Au2C -158.7(6) . . . . ?
C1 N1 N2 C3 1.0(9) . . . . ?
C1 C2 C3 N2 -0.2(10) . . . . ?
C1 C2 C3 C7 -178.1(10) . . . . ?
C1 C2 C10 C11 104.0(11) . . . . ?
C1 C2 C10 C15 -82.6(13) . . . . ?
C2 C1 C4 C5 66.2(13) . . . . ?
C2 C1 C4 C6 -59.5(14) . . . . ?
C2 C3 C7 C8 -35.1(14) . . . . ?
C2 C3 C7 C9 88.8(12) . . . . ?
C2 C10 C11 C12 171.5(8) . . . . ?
C2 C10 C15 C14 -172.6(8) . . . . ?
C3 C2 C10 C11 -75.7(11) . . . . ?
C3 C2 C10 C15 97.7(11) . . . . ?
C4 C1 C2 C3 -178.9(10) . . . . ?
C4 C1 C2 C10 1.4(18) . . . . ?
C10 C2 C3 N2 179.5(8) . . . . ?
C10 C2 C3 C7 1.6(16) . . . . ?
C10 C11 C12 C13 0.2(14) . . . . ?
C10 C11 C12 C16 -172.0(8) . . . . ?
C11 C10 C15 C14 0.7(13) . . . . ?
C11 C12 C13 C14 3.3(15) . . . . ?
C11 C12 C16 N13 175.1(10) . . . . ?
C12 C13 C14 C15 -4.6(15) . . . . ?
C13 C12 C16 N13 3.3(16) . . . . ?
C13 C14 C15 C10 2.4(14) . . . . ?
C15 C10 C11 C12 -2.1(13) . . . . ?
C16 N13 C17 C18 97.0(11) . . . . ?
C16 C12 C13 C14 175.2(9) . . . . ?
C17 N13 C16 C12 -172.8(9) . . . . ?
C17 C18 C19 N14 65.2(11) . . . . ?
C19 N14 C20 C21 -178.8(8) . . . . ?
C20 N14 C19 C18 -140.7(9) . . . . ?
C20 C21 C22 C23 176.8(7) . . . . ?
C20 C21 C26 C25 -178.7(8) . . . . ?
C21 C22 C23 C24 1.5(11) . . . . ?
C21 C22 C23 C27 -179.1(7) . . . . ?
C22 C21 C26 C25 -1.1(13) . . . . ?
C22 C23 C24 C25 -0.3(12) . . . . ?
C22 C23 C27 C28 -102.2(10) . . . . ?
C22 C23 C27 C29 80.8(12) . . . . ?
C23 C24 C25 C26 -1.5(13) . . . . ?
C23 C27 C28 N7 -176.2(8) . . . . ?
C23 C27 C28 C30 2.9(16) . . . . ?
C23 C27 C29 N8 178.1(8) . . . . ?
C23 C27 C29 C33 -1.6(17) . . . . ?
C24 C23 C27 C28 77.2(12) . . . . ?
C24 C23 C27 C29 -99.7(11) . . . . ?
C24 C25 C26 C21 2.2(14) . . . . ?
C26 C21 C22 C23 -0.8(12) . . . . ?
C27 C23 C24 C25 -179.8(7) . . . . ?
C27 C28 C30 C31 119.3(10) . . . . ?
C27 C28 C30 C32 -111.1(10) . . . . ?
C27 C29 C33 C34 -87.6(14) . . . . ?
C27 C29 C33 C35 79.8(14) . . . . ?
C28 N7 N8 Au5A -180.0(5) . . . . ?
C28 N7 N8 Au5B 156.0(6) . . . . ?
C28 N7 N8 Au5C -162.6(6) . . . . ?
C28 N7 N8 C29 3.1(10) . . . . ?
C28 C27 C29 N8 0.7(11) . . . . ?
C28 C27 C29 C33 -179.0(10) . . . . ?
C29 C27 C28 N7 1.2(11) . . . . ?
C29 C27 C28 C30 -179.7(9) . . . . ?
C36 N3 N4 Au3A -178.6(6) . . . . ?
C36 N3 N4 Au3B 159.8(6) . . . . ?
C36 N3 N4 Au3C -159.7(7) . . . . ?
C36 N3 N4 C38 2.4(10) . . . . ?
C36 C37 C38 N4 0.2(11) . . . . ?
C36 C37 C38 C42 179.6(10) . . . . ?
C36 C37 C45 C46 105.2(11) . . . . ?
C36 C37 C45 C50 -73.9(12) . . . . ?
C37 C36 C39 C40 115.0(11) . . . . ?
C37 C36 C39 C41 -118.0(10) . . . . ?
C37 C38 C42 C43 84.1(13) . . . . ?
C37 C38 C42 C44 -41.0(15) . . . . ?
C37 C45 C46 C47 177.7(7) . . . . ?
C37 C45 C50 C49 -177.8(7) . . . . ?
C38 C37 C45 C46 -75.6(12) . . . . ?
C38 C37 C45 C50 105.3(11) . . . . ?
C39 C36 C37 C38 -177.3(10) . . . . ?
C39 C36 C37 C45 2.1(17) . . . . ?
C45 C37 C38 N4 -179.2(9) . . . . ?
C45 C37 C38 C42 0.2(18) . . . . ?
C45 C46 C47 C48 0.7(11) . . . . ?
C45 C46 C47 C51 -177.9(7) . . . . ?
C46 C45 C50 C49 3.1(11) . . . . ?
C46 C47 C48 C49 2.0(11) . . . . ?
C46 C47 C51 N15 178.4(7) . . . . ?
C47 C48 C49 C50 -2.1(11) . . . . ?
C48 C47 C51 N15 -0.2(12) . . . . ?
C48 C49 C50 C45 -0.4(12) . . . . ?
C50 C45 C46 C47 -3.2(11) . . . . ?
C51 N15 C52 C53 -123.1(8) . . . . ?
C51 C47 C48 C49 -179.4(7) . . . . ?
C52 N15 C51 C47 -176.4(7) . . . . ?
C52 C53 C54 N16 77.4(11) . . . . ?
C54 N16 C55 C56 -179.0(7) . . . . ?
C55 N16 C54 C53 -113.5(9) . . . . ?
C55 C56 C57 C58 -178.8(7) . . . . ?
C55 C56 C61 C60 179.5(7) . . . . ?
C56 C57 C58 C59 -0.8(12) . . . . ?
C57 C56 C61 C60 -0.8(11) . . . . ?
C57 C58 C59 C60 -0.8(11) . . . . ?
C58 C59 C60 C61 1.5(11) . . . . ?
C58 C59 C60 C62 -178.8(7) . . . . ?
C59 C60 C61 C56 -0.7(11) . . . . ?
C59 C60 C62 C63 102.3(11) . . . . ?
C59 C60 C62 C64 -71.7(12) . . . . ?
C60 C62 C63 N9 -176.4(8) . . . . ?
C60 C62 C63 C65 7.0(17) . . . . ?
C60 C62 C64 N10 177.2(8) . . . . ?
C60 C62 C64 C68 -4.4(16) . . . . ?
C61 C56 C57 C58 1.6(12) . . . . ?
C61 C60 C62 C63 -78.1(12) . . . . ?
C61 C60 C62 C64 108.0(10) . . . . ?
C62 C60 C61 C56 179.6(7) . . . . ?
C62 C63 C65 C66 -48.2(14) . . . . ?
C62 C63 C65 C67 77.5(13) . . . . ?
C62 C64 C68 C69 105.6(10) . . . . ?
C62 C64 C68 C70 -126.6(10) . . . . ?
C63 N9 N10 Au6A 171.4(6) . . . . ?
C63 N9 N10 Au6B 146.1(6) . . . . ?
C63 N9 N10 Au6C 177.2(11) . . . . ?
C63 N9 N10 C64 1.0(10) . . . . ?
C63 C62 C64 N10 2.1(10) . . . . ?
C63 C62 C64 C68 -179.5(9) . . . . ?
C64 C62 C63 N9 -1.5(11) . . . . ?
C64 C62 C63 C65 -178.1(9) . . . . ?
C71 N5 N6 Au1A -177.9(5) . . . . ?
C71 N5 N6 Au1B 165.3(6) . . . . ?
C71 N5 N6 Au1C -155.8(6) . . . . ?
C71 N5 N6 C73 0.7(9) . . . . ?
C71 C72 C73 N6 2.2(9) . . . . ?
C71 C72 C73 C77 -179.4(9) . . . . ?
C71 C72 C80 C81 51.1(11) . . . . ?
C71 C72 C80 C85 -127.9(9) . . . . ?
C72 C71 C74 C75 115.9(10) . . . . ?
C72 C71 C74 C76 -117.4(10) . . . . ?
C72 C73 C77 C78 125.5(9) . . . . ?
C72 C73 C77 C79 -106.9(10) . . . . ?
C72 C80 C81 C82 179.7(6) . . . . ?
C72 C80 C85 C84 179.4(6) . . . . ?
C73 C72 C80 C81 -126.2(9) . . . . ?
C73 C72 C80 C85 54.8(11) . . . . ?
C74 C71 C72 C73 -177.4(9) . . . . ?
C74 C71 C72 C80 4.8(15) . . . . ?
C80 C72 C73 N6 179.9(7) . . . . ?
C80 C72 C73 C77 -1.6(15) . . . . ?
C80 C81 C82 C83 2.4(11) . . . . ?
C80 C81 C82 C86 -176.0(6) . . . . ?
C81 C80 C85 C84 0.4(10) . . . . ?
C81 C82 C83 C84 -2.7(11) . . . . ?
C81 C82 C86 N17 -10.4(12) . . . . ?
C82 C83 C84 C85 1.8(12) . . . . ?
C83 C82 C86 N17 171.2(7) . . . . ?
C83 C84 C85 C80 -0.6(11) . . . . ?
C85 C80 C81 C82 -1.3(10) . . . . ?
C86 N17 C87 C88 -127.7(8) . . . . ?
C86 C82 C83 C84 175.7(7) . . . . ?
C87 N17 C86 C82 176.4(7) . . . . ?
C87 C88 C89 N18 -167.0(7) . . . . ?
C89 N18 C90 C91 -177.9(7) . . . . ?
C90 N18 C89 C88 -114.0(9) . . . . ?
C90 C91 C92 C93 -177.7(7) . . . . ?
C90 C91 C96 C95 -179.3(7) . . . . ?
C91 C92 C93 C94 -1.7(11) . . . . ?
C91 C92 C93 C97 174.8(7) . . . . ?
C92 C91 C96 C95 2.7(11) . . . . ?
C92 C93 C94 C95 0.4(11) . . . . ?
C92 C93 C97 C98 -71.4(12) . . . . ?
C92 C93 C97 C99 109.1(11) . . . . ?
C93 C94 C95 C96 2.4(12) . . . . ?
C93 C97 C98 N11 179.0(9) . . . . ?
C93 C97 C98 C100 -0.1(18) . . . . ?
C93 C97 C99 N12 -178.2(9) . . . . ?
C93 C97 C99 C103 0.3(19) . . . . ?
C94 C93 C97 C98 105.0(10) . . . . ?
C94 C93 C97 C99 -74.5(13) . . . . ?
C94 C95 C96 C91 -3.9(12) . . . . ?
C96 C91 C92 C93 0.2(11) . . . . ?
C97 C93 C94 C95 -176.1(7) . . . . ?
C97 C98 C100 C101 81.2(14) . . . . ?
C97 C98 C100 C102 -45.9(15) . . . . ?
C97 C99 C103 C104 -30.1(17) . . . . ?
C97 C99 C103 C105 87.9(13) . . . . ?
C98 N11 N12 Au4A 177.7(6) . . . . ?
C98 N11 N12 Au4B 153.8(7) . . . . ?
C98 N11 N12 Au4C -160.2(8) . . . . ?
C98 N11 N12 C99 1.3(11) . . . . ?
C98 C97 C99 N12 2.2(11) . . . . ?
C98 C97 C99 C103 -179.3(10) . . . . ?
C99 C97 C98 N11 -1.4(12) . . . . ?
C99 C97 C98 C100 179.5(11) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.273 0.243 0.773 1369.8 319.8 '8 DCM'
2 0.347 0.864 0.416 7.2 0.0 ?
3 0.653 0.136 0.584 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 3.685
_oxdiff_exptl_absorpt_empirical_full_min 0.455
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne0250
_database_code_depnum_ccdc_archive 'CCDC 2284423'
loop_
_audit_author_name
_audit_author_address
'Farzaneh Fadaei Tirani'
;EPFL
Switzerland
;
_audit_update_record             
;
2024-01-14 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2024-01-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'

# start Validation Reply Form
_vrf_THETM01_ne0250              
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: There were no reflections beyond d(min)=1 Angstrom.
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H138 Au6 N18, 11.5[CH2Cl2], 1.25[CH2Cl2]'
_chemical_formula_sum            'C132.75 H163.50 Au6 Cl25.50 N18'
_chemical_formula_weight         4097.08
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C132.75 H163.50 Au6 Cl25.50 N18'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   20.8869(6)
_cell_length_b                   21.3091(7)
_cell_length_c                   21.4286(4)
_cell_angle_alpha                96.246(2)
_cell_angle_beta                 97.033(2)
_cell_angle_gamma                105.196(3)
_cell_volume                     9035.4(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    30479
_cell_measurement_temperature    140.00
_cell_measurement_theta_max      63.0460
_cell_measurement_theta_min      2.5680
_shelx_estimated_absorpt_T_max   0.785
_shelx_estimated_absorpt_T_min   0.057
_exptl_absorpt_coefficient_mu    12.743
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.214
_exptl_absorpt_correction_type   Gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.85a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_absorpt_special_details   
;    
There were no reflections beyond d(min)=1 Angstrom.
So, data are cut to this resolution.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3987
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.3345
0 0 -1 0.1819
1 0 0 0.0096
-1 0 0 0.0096
0 -1 0 0.0133
0 1 0 0.0133
1 -1 0 0.0094
-1 1 0 0.0094

_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0003 0.0008 1.0000 -0.0533 0.0217 -0.0453
0.0003 -0.0008 -1.0000 0.0533 -0.0217 0.0453
0.9997 -0.0000 0.0002 -0.0038 0.0745 0.0205
-0.9997 0.0000 -0.0002 0.0038 -0.0745 -0.0205
-0.0006 -1.0004 0.0001 -0.0425 -0.0379 0.0500
0.0006 1.0004 -0.0001 0.0425 0.0379 -0.0500
0.9990 -1.0004 0.0004 -0.0463 0.0366 0.0704
-0.9990 1.0004 -0.0004 0.0463 -0.0366 -0.0704

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0771
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            94655
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        50.436
_diffrn_reflns_theta_max         50.436
_diffrn_reflns_theta_min         2.220
_diffrn_ambient_temperature      140.00
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     28.00  53.00   0.50    2.50    --   66.21 -95.00  60.00   50
  2  ω     30.00  57.00   0.50    2.50    --   66.21 -95.00  90.00   54
  3  ω     75.00 102.00   0.50    2.50    --   66.21  15.00 150.00   54
  4  ω     28.00  64.00   0.50    2.50    --   66.21 -95.00-180.00   72
  5  ω     29.00  74.00   0.50    2.50    --   66.21 -95.00 -60.00   90
  6  ω   -103.00 -72.00   0.50    2.50    --  -66.84   0.00 -30.00   62
  7  ω   -104.00 -72.00   0.50    2.50    --  -66.84   0.00-120.00   64
  8  ω   -103.00 -73.00   0.50    2.50    --  -66.84   0.00 -90.00   60
  9  ω    -98.00 -59.00   0.50    2.50    --  -66.84 -15.00 -60.00   78
 10  ω   -104.00 -74.00   0.50    2.50    --  -66.84   0.00-180.00   60
 11  ω    -91.00 -35.00   0.50    2.50    --  -66.84 125.00-180.00  112
 12  ω   -107.00 -72.00   0.50    2.50    --  -69.31   0.00  30.00   70
 13  ω    -73.00 -38.00   0.50    2.50    --  -69.31 -15.00-120.00   70
 14  ω   -106.00 -71.00   0.50    2.50    --  -69.31 -15.00 150.00   70
 15  ω    -69.00 -38.00   0.50    2.50    --  -69.31 -15.00 150.00   62
 16  ω    -72.00 -42.00   0.50    2.50    --  -69.31 -15.00-150.00   60
 17  ω   -106.00 -73.00   0.50    2.50    --  -69.31   0.00 -60.00   66
 18  ω     31.00  89.00   0.50    2.50    --   69.48-125.00-180.00  116
 19  ω     35.00  65.00   0.50    2.50    --   69.48 -95.00-120.00   60
 20  ω     33.00  64.00   0.50    2.50    --   69.48 -95.00 120.00   62
 21  ω     33.00  71.00   0.50    2.50    --   69.48 -95.00   0.00   76
 22  ω     33.00  78.00   0.50    2.50    --   69.48 -95.00 -90.00   90
 23  ω   -115.00 -51.00   0.50    2.50    --  -74.00 148.00 -42.15  128
 24  ω   -113.00 -40.00   0.50    2.50    --  -74.78 142.00  -1.74  146
 25  ω    -72.00 -39.00   0.50    2.50    --  -74.78 141.00 104.22   66
 26  ω   -111.00 -85.00   0.50    2.50    --  -74.78 141.00 104.22   52
 27  ω    -83.00 -36.00   0.50    2.50    --  -74.78 141.00-159.33   94
 28  ω   -112.00 -86.00   0.50    2.50    --  -74.78 141.00-159.33   52
 29  ω   -109.00 -33.00   0.50    2.50    --  -74.78 138.00 -48.06  152
 30  ω     70.00 102.00   0.50    2.50    --   78.10-125.00 120.00   64
 31  ω     62.00 120.00   0.50    2.50    --   78.10  15.00   0.00  116
 32  ω     47.00 118.00   0.50    2.50    --   78.10  15.00 120.00  142
 33  ω     72.00 105.00   0.50    2.50    --   78.10-125.00   0.00   66
 34  ω     54.00  80.00   0.50    2.50    --   78.10 -95.00 -30.00   52
 35  ω     43.00  70.00   0.50    2.50    --   78.10-125.00   0.00   54
 36  ω     50.00 120.00   0.50    2.50    --   78.10  15.00-120.00  140
 37  ω     53.00  85.00   0.50    2.50    --   78.10 -95.00-150.00   64
 38  ω     80.00 105.00   0.50    2.50    --   78.10-125.00 -90.00   50
 39  ω     39.00 105.00   0.50    2.50    --   78.10-125.00  90.00  132
 40  ω     84.00 116.00   0.50    2.50    --   78.10  15.00 150.00   64
 41  ω     80.00 105.00   0.50    2.50    --   78.10-125.00-150.00   50
 42  ω     39.00 105.00   0.50    2.50    --   78.10-125.00-180.00  132
 43  ω     80.00 105.00   0.50    2.50    --   78.10-125.00 -30.00   50
 44  ω     80.00 105.00   0.50    2.50    --   78.10-125.00  60.00   50
 45  ω     38.00  63.00   0.50    2.50    --   78.10-125.00-120.00   50
 46  ω     80.00 105.00   0.50    2.50    --   78.10-125.00 150.00   50
 47  ω     80.00 105.00   0.50    2.50    --   78.10-125.00 -60.00   50
 48  ω     57.00  84.00   0.50    2.50    --   78.10 -95.00-180.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0037439000
_diffrn_orient_matrix_UB_12      0.0425223000
_diffrn_orient_matrix_UB_13      -0.0533227000
_diffrn_orient_matrix_UB_21      0.0745370000
_diffrn_orient_matrix_UB_22      0.0378318000
_diffrn_orient_matrix_UB_23      0.0217297000
_diffrn_orient_matrix_UB_31      0.0204946000
_diffrn_orient_matrix_UB_32      -0.0499708000
_diffrn_orient_matrix_UB_33      -0.0452524000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12121
_reflns_number_total             18871
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         18871
_refine_ls_number_restraints     2253
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0998P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
_refine_ls_wR_factor_ref         0.1671
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C25-C26 = C16-C13 = C20-C24 = C17-C18
 1.5 with sigma of 0.02
 C45-C44 = C46-C44 = C49-C47 = C48-C47 = C77-C75 = C76-C75 = C80-C78 = C79-C78
 = C117-C115 = C116-C115 = C120-C118 = C119-C118 = C36-C35 = C37-C35 = C40-C38 =
  C39-C38 = C9-C7 = C8-C7 = C4-C6 = C5-C4 = C88-C87 = C89-C87 = C85-C84 = C86-
 C84
 1.54 with sigma of 0.01
 N14-C24 = N13-C17
 1.47 with sigma of 0.02
 C96-C93 = C105-C106 = C104-C100 = C97-C98
 1.5 with sigma of 0.01
 N17-C97
 1.47 with sigma of 0.01
 C56-C53 = C57-C58 = C64-C60 = C65-C66
 1.5 with sigma of 0.01
 N16-C64
 1.47 with sigma of 0.01
 N18-C104
 1.47 with sigma of 0.01
 N15-C57
 1.47 with sigma of 0.01
 C26-C25 = C16-C13 = C32-C29 = C2-C10 = C24-C20 = C18-C17 = C72-C69 = C50-C42 =
  C56-C53 = C66-C65 = C64-C60 = C58-C57 = C104-C100 = C98-C97 = C96-C93 = C106-
 C105 = C112-C109 = C90-C82
 1.5 with sigma of 0.02
 C20-C24
 1.5 with sigma of 0.01
 C56-C57
 2.45 with sigma of 0.04
 C58-N15
 2.45 with sigma of 0.04
 C53-N15
 2.45 with sigma of 0.04
 C105-C104
 2.45 with sigma of 0.04
 C106-N18
 2.45 with sigma of 0.04
 N18-C100
 2.45 with sigma of 0.04
 C16-C17
 2.45 with sigma of 0.04
 C25-C24
 2.45 with sigma of 0.04
 C26-N14
 2.45 with sigma of 0.04
 N14-C20
 2.45 with sigma of 0.04
 C13-N13
 2.45 with sigma of 0.04
 N13-C18
 2.45 with sigma of 0.04
 H24A-H21
 2 with sigma of 0.04
 H97B-H64B_$1
 2.5 with sigma of 0.04
 C117-C116 \\sim C120-C119 \\sim C85-C86 \\sim C89-C88 \\sim C49-C48 \\sim
C46-C45 \\sim C76-C77 \\sim C80-
 C79 \\sim C39-C40 \\sim C37-C36 \\sim C8-C9 \\sim C6-C5
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C19 \\sim C18 \\sim C23 \\sim C22 \\sim C21 \\sim C20 \\sim C24 \\sim C25
\\sim C29 \\sim C30 \\sim C31 \\sim C26 \\sim C27 \\sim C28 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C59 \\sim C58 \\sim C63 \\sim C62 \\sim C61 \\sim C60 \\sim C64 \\sim C65
\\sim C69 \\sim C70 \\sim C71 \\sim C66 \\sim C67 \\sim C68 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81
\\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89
\\sim C93 \\sim C94 \\sim C95 \\sim C90 \\sim C91 \\sim C92 \\sim C96 \\sim C97
\\sim C99 \\sim C98 \\sim C103 \\sim C102 \\sim C101 \\sim C100 \\sim C104
\\sim C105 \\sim C106 \\sim C111 \\sim C110 \\sim C109 \\sim C108 \\sim C107
\\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116 \\sim C117 \\sim C118
\\sim C119 \\sim C120 \\sim N1 \\sim N2 \\sim N3 \\sim N4 \\sim N5 \\sim N6
\\sim N7 \\sim N8 \\sim N9 \\sim N10 \\sim N11 \\sim N12 \\sim N13 \\sim N14
\\sim N15 \\sim N16 \\sim N17 \\sim N18: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Y: C78(0.37731)
6.a Ternary CH refined with riding coordinates:
 C4(H4), C7(H7), C35(H35), C38(H38), C44(H44), C47(H47), C75(H75), C78(H78),
 C84(H84), C87(H87), C115(H115), C118(H118)
6.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C24(H24A,H24B), C57(H57A,H57B), C64(H64A,H64B), C97(H97A,
 H97B), C104(H10A,H10B)
6.c Me refined with riding coordinates:
 C8(H8A,H8B,H8C), C48(H48A,H48B,H48C)
6.d Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C19(H19), C23(H23),
 C22(H22), C21(H21), C25(H25), C30(H30), C31(H31), C27(H27), C28(H28), C51(H51),
  C52(H52), C54(H54), C55(H55), C56(H56), C59(H59), C63(H63), C62(H62),
 C61(H61), C65(H65), C70(H70), C71(H71), C67(H67), C68(H68), C94(H94), C95(H95),
  C91(H91), C92(H92), C96(H96), C99(H99), C103(H103), C102(H102), C101(H101),
 C105(H105), C111(H111), C110(H110), C108(H108), C107(H107)
6.e Fitted hexagon refined as free rotating group:
 C10(C11,C12,C13,C14,C15), C19(C18,C23,C22,C21,C20), C29(C30,C31,C26,C27,C28),
 C50(C51,C52,C53,C54,C55), C59(C58,C63,C62,C61,C60), C69(C70,C71,C66,C67,C68),
 C93(C94,C95,C90,C91,C92), C99(C98,C103,C102,C101,C100), C106(C111,C110,C109,
 C108,C107)
6.f Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C9(H9A,H9B,H9C), C36(H36A,H36B,H36C),
 C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C45(H45A,H45B,
 H45C), C46(H46A,H46B,H46C), C49(H49A,H49B,H49C), C76(H76A,H76B,H76C), C77(H77A,
 H77B,H77C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C85(H85A,H85B,H85C),
 C86(H86A,H86B,H86C), C88(H88A,H88B,H88C), C89(H89A,H89B,H89C), C116(H11A,H11B,
 H11C), C117(H11D,H11E,H11F), C119(H11G,H11H,H11I), C120(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.53496(3) 0.65387(3) 0.13152(2) 0.1001(2) Uani 1 1 d . . . . .
Au2 Au 0.57659(3) 0.51403(3) 0.10537(2) 0.0974(2) Uani 1 1 d . . . . .
Au3 Au 0.41838(3) 0.51766(3) 0.05963(2) 0.0955(2) Uani 1 1 d . . . . .
Au4 Au 0.50104(3) 0.58680(3) 0.44572(2) 0.0949(2) Uani 1 1 d . . . . .
Au5 Au 0.47219(3) 0.42429(3) 0.40190(2) 0.0925(2) Uani 1 1 d . . . . .
Au6 Au 0.34867(3) 0.49543(3) 0.37723(2) 0.0974(2) Uani 1 1 d . . . . .
N1 N 0.6303(5) 0.6544(6) 0.1658(5) 0.108(3) Uani 1 1 d . U . . .
N2 N 0.6478(6) 0.5944(6) 0.1497(5) 0.115(3) Uani 1 1 d . U . . .
N3 N 0.5077(5) 0.4317(5) 0.0711(4) 0.091(2) Uani 1 1 d . U . . .
N4 N 0.4411(6) 0.4324(5) 0.0508(4) 0.091(2) Uani 1 1 d . U . . .
N5 N 0.3927(6) 0.6012(5) 0.0749(5) 0.105(3) Uani 1 1 d . U . . .
N6 N 0.4446(6) 0.6567(6) 0.1053(5) 0.115(3) Uani 1 1 d . U . . .
N7 N 0.5788(5) 0.5487(5) 0.4508(4) 0.094(2) Uani 1 1 d . U . . .
N8 N 0.5653(5) 0.4798(5) 0.4310(4) 0.095(2) Uani 1 1 d . U . . .
N9 N 0.3844(6) 0.3729(6) 0.3655(5) 0.108(3) Uani 1 1 d . U . . .
N10 N 0.3340(5) 0.4032(5) 0.3493(5) 0.100(2) Uani 1 1 d . U . . .
N11 N 0.3658(6) 0.5918(6) 0.4028(5) 0.110(3) Uani 1 1 d . U . . .
N12 N 0.4279(6) 0.6308(6) 0.4343(5) 0.111(3) Uani 1 1 d . U . . .
N13 N 1.0057(7) 0.8091(9) 0.4169(7) 0.191(4) Uani 1 1 d D U . . .
N14 N 1.0032(6) 0.5911(8) 0.5004(8) 0.190(4) Uani 1 1 d D U . . .
N15 N 0.3028(10) 0.0091(7) -0.0048(9) 0.256(5) Uani 1 1 d D U . . .
N16 N 0.1082(9) 0.0467(7) 0.1074(8) 0.209(5) Uani 1 1 d D U . . .
N17 N 0.1029(7) 0.8057(7) 0.1686(7) 0.177(4) Uani 1 1 d D U . . .
N18 N 0.2288(10) 0.9398(8) 0.3869(9) 0.232(5) Uani 1 1 d D U . . .
C1 C 0.6850(8) 0.6997(8) 0.2042(7) 0.119(3) Uani 1 1 d . U . . .
C2 C 0.7344(7) 0.6714(8) 0.2122(6) 0.122(3) Uani 1 1 d D U . . .
C3 C 0.7097(8) 0.6046(8) 0.1768(7) 0.127(3) Uani 1 1 d . U . . .
C4 C 0.6765(8) 0.7649(7) 0.2274(6) 0.139(4) Uani 1 1 d D U . . .
H4 H 0.720544 0.786840 0.255222 0.167 Uiso 1 1 calc R U . . .
C5 C 0.6757(9) 0.8104(7) 0.1777(6) 0.174(6) Uani 1 1 d D U . . .
H5A H 0.633659 0.793971 0.147597 0.261 Uiso 1 1 calc R U . . .
H5B H 0.713815 0.811945 0.154832 0.261 Uiso 1 1 calc R U . . .
H5C H 0.679066 0.854659 0.198574 0.261 Uiso 1 1 calc R U . . .
C6 C 0.6262(8) 0.7658(8) 0.2742(6) 0.157(5) Uani 1 1 d D U . . .
H6A H 0.580254 0.749179 0.250922 0.236 Uiso 1 1 calc R U . . .
H6B H 0.633420 0.810900 0.294958 0.236 Uiso 1 1 calc R U . . .
H6C H 0.632905 0.737790 0.306334 0.236 Uiso 1 1 calc R U . . .
C7 C 0.7398(9) 0.5564(8) 0.1769(8) 0.160(4) Uani 1 1 d D U . . .
H7 H 0.780710 0.582689 0.207245 0.192 Uiso 1 1 calc R U . . .
C8 C 0.7189(9) 0.5042(8) 0.2183(7) 0.185(6) Uani 1 1 d D U . . .
H8A H 0.745088 0.472403 0.213495 0.278 Uiso 1 1 calc R U . . .
H8B H 0.727056 0.524628 0.262874 0.278 Uiso 1 1 calc R U . . .
H8C H 0.670994 0.481481 0.205596 0.278 Uiso 1 1 calc R U . . .
C9 C 0.7760(10) 0.5480(9) 0.1225(8) 0.206(7) Uani 1 1 d D U . . .
H9A H 0.806197 0.520881 0.132127 0.309 Uiso 1 1 calc R U . . .
H9B H 0.802271 0.591199 0.115101 0.309 Uiso 1 1 calc R U . . .
H9C H 0.743454 0.526492 0.084325 0.309 Uiso 1 1 calc R U . . .
C10 C 0.8006(4) 0.7023(6) 0.2490(5) 0.155(4) Uani 1 1 d DG U . . .
C11 C 0.8049(5) 0.7217(7) 0.3138(6) 0.183(4) Uani 1 1 d G U . . .
H11 H 0.765144 0.715148 0.332526 0.219 Uiso 1 1 calc R U . . .
C12 C 0.8672(6) 0.7508(7) 0.3511(4) 0.194(5) Uani 1 1 d G U . . .
H12 H 0.870061 0.764091 0.395333 0.233 Uiso 1 1 calc R U . . .
C13 C 0.9253(5) 0.7604(6) 0.3236(6) 0.176(4) Uani 1 1 d DG U . . .
C14 C 0.9211(5) 0.7410(7) 0.2588(6) 0.191(5) Uani 1 1 d G U . . .
H14 H 0.960774 0.747550 0.240039 0.229 Uiso 1 1 calc R U . . .
C15 C 0.8587(6) 0.7119(6) 0.2215(4) 0.179(4) Uani 1 1 d G U . . .
H15 H 0.855856 0.698606 0.177231 0.215 Uiso 1 1 calc R U . . .
C16 C 0.9924(7) 0.7933(10) 0.3620(8) 0.184(5) Uani 1 1 d D U . . .
H16 H 1.029006 0.802620 0.338943 0.220 Uiso 1 1 calc R U . . .
C17 C 1.0759(8) 0.8405(9) 0.4478(8) 0.208(5) Uani 1 1 d D U . . .
H17A H 1.078055 0.881124 0.476206 0.250 Uiso 1 1 calc R U . . .
H17B H 1.104398 0.852834 0.414954 0.250 Uiso 1 1 calc R U . . .
C19 C 1.0763(5) 0.7263(8) 0.4692(5) 0.208(5) Uani 1 1 d G U . . .
H19 H 1.041954 0.709278 0.433446 0.250 Uiso 1 1 calc R U . . .
C18 C 1.1028(7) 0.7939(7) 0.4865(7) 0.211(4) Uani 1 1 d DG U . . .
C23 C 1.1531(7) 0.8188(6) 0.5388(7) 0.228(5) Uani 1 1 d G U . . .
H23 H 1.171192 0.864977 0.550561 0.274 Uiso 1 1 calc R U . . .
C22 C 1.1770(6) 0.7762(8) 0.5738(5) 0.235(5) Uani 1 1 d G U . . .
H22 H 1.211351 0.793188 0.609553 0.282 Uiso 1 1 calc R U . . .
C21 C 1.1505(7) 0.7086(7) 0.5565(6) 0.226(5) Uani 1 1 d G U . . .
H21 H 1.166812 0.679444 0.580492 0.271 Uiso 1 1 calc DR U . . .
C20 C 1.1002(6) 0.6837(6) 0.5042(7) 0.210(4) Uani 1 1 d DG U . . .
C24 C 1.0777(7) 0.6106(7) 0.4992(9) 0.206(5) Uani 1 1 d D U . . .
H24A H 1.101545 0.595915 0.535157 0.247 Uiso 1 1 calc DR U . . .
H24B H 1.087459 0.590030 0.459014 0.247 Uiso 1 1 calc R U . . .
C25 C 0.9614(6) 0.5760(10) 0.4497(9) 0.188(4) Uani 1 1 d D U . . .
H25 H 0.977027 0.572852 0.410018 0.226 Uiso 1 1 calc R U . . .
C29 C 0.7498(3) 0.5387(5) 0.4497(5) 0.128(3) Uani 1 1 d DG U . . .
C30 C 0.7915(5) 0.5373(5) 0.5050(4) 0.137(3) Uani 1 1 d G U . . .
H30 H 0.772973 0.528091 0.542472 0.164 Uiso 1 1 calc R U . . .
C31 C 0.8603(5) 0.5495(6) 0.5056(4) 0.152(4) Uani 1 1 d G U . . .
H31 H 0.888783 0.548553 0.543366 0.183 Uiso 1 1 calc R U . . .
C26 C 0.8874(3) 0.5630(6) 0.4508(5) 0.168(4) Uani 1 1 d DG U . . .
C27 C 0.8457(5) 0.5643(6) 0.3955(4) 0.178(4) Uani 1 1 d G U . . .
H27 H 0.864206 0.573570 0.358023 0.213 Uiso 1 1 calc R U . . .
C28 C 0.7769(5) 0.5522(6) 0.3949(4) 0.158(4) Uani 1 1 d G U . . .
H28 H 0.748395 0.553108 0.357128 0.189 Uiso 1 1 calc R U . . .
C32 C 0.6755(6) 0.5254(8) 0.4465(5) 0.102(3) Uani 1 1 d D U . . .
C33 C 0.6442(7) 0.5749(7) 0.4596(5) 0.101(3) Uani 1 1 d . U . . .
C34 C 0.6283(7) 0.4708(7) 0.4302(5) 0.099(3) Uani 1 1 d . U . . .
C35 C 0.6672(6) 0.6481(6) 0.4779(5) 0.119(3) Uani 1 1 d D U . . .
H35 H 0.631400 0.660201 0.499574 0.143 Uiso 1 1 calc R U . . .
C36 C 0.6684(8) 0.6807(7) 0.4172(5) 0.155(6) Uani 1 1 d D U . . .
H36A H 0.688009 0.657196 0.386212 0.233 Uiso 1 1 calc R U . . .
H36B H 0.695512 0.726615 0.427691 0.233 Uiso 1 1 calc R U . . .
H36C H 0.622448 0.678902 0.399029 0.233 Uiso 1 1 calc R U . . .
C37 C 0.7322(7) 0.6746(7) 0.5249(5) 0.136(5) Uani 1 1 d D U . . .
H37A H 0.723398 0.666985 0.567664 0.204 Uiso 1 1 calc R U . . .
H37B H 0.750032 0.721930 0.524394 0.204 Uiso 1 1 calc R U . . .
H37C H 0.765127 0.652089 0.512730 0.204 Uiso 1 1 calc R U . . .
C38 C 0.6276(6) 0.3991(7) 0.4074(5) 0.113(3) Uani 1 1 d D U . . .
H38 H 0.584457 0.370172 0.415961 0.136 Uiso 1 1 calc R U . . .
C39 C 0.6835(6) 0.3771(7) 0.4417(5) 0.121(4) Uani 1 1 d D U . . .
H39A H 0.677304 0.330391 0.427011 0.182 Uiso 1 1 calc R U . . .
H39B H 0.682734 0.383623 0.487596 0.182 Uiso 1 1 calc R U . . .
H39C H 0.726814 0.402909 0.432899 0.182 Uiso 1 1 calc R U . . .
C40 C 0.6236(7) 0.3932(8) 0.3346(4) 0.144(5) Uani 1 1 d D U . . .
H40A H 0.628579 0.350326 0.317958 0.217 Uiso 1 1 calc R U . . .
H40B H 0.659570 0.428230 0.323969 0.217 Uiso 1 1 calc R U . . .
H40C H 0.579933 0.397163 0.315611 0.217 Uiso 1 1 calc R U . . .
C41 C 0.5056(8) 0.3688(7) 0.0721(5) 0.101(3) Uani 1 1 d . U . . .
C42 C 0.4406(8) 0.3291(6) 0.0526(6) 0.105(3) Uani 1 1 d D U . . .
C43 C 0.4015(8) 0.3709(7) 0.0393(6) 0.106(3) Uani 1 1 d . U . . .
C44 C 0.5669(8) 0.3521(6) 0.0934(5) 0.120(3) Uani 1 1 d D U . . .
H44 H 0.603853 0.392537 0.092132 0.144 Uiso 1 1 calc R U . . .
C45 C 0.5842(8) 0.2969(6) 0.0522(5) 0.135(5) Uani 1 1 d D U . . .
H45A H 0.632706 0.308913 0.051347 0.202 Uiso 1 1 calc R U . . .
H45B H 0.560010 0.290770 0.008860 0.202 Uiso 1 1 calc R U . . .
H45C H 0.571045 0.255961 0.070241 0.202 Uiso 1 1 calc R U . . .
C46 C 0.5691(8) 0.3459(7) 0.1641(5) 0.141(5) Uani 1 1 d D U . . .
H46A H 0.544679 0.301057 0.168696 0.212 Uiso 1 1 calc R U . . .
H46B H 0.547997 0.377124 0.184232 0.212 Uiso 1 1 calc R U . . .
H46C H 0.615878 0.355571 0.184510 0.212 Uiso 1 1 calc R U . . .
C47 C 0.3282(7) 0.3603(7) 0.0221(6) 0.129(3) Uani 1 1 d D U . . .
H47 H 0.325470 0.402658 0.007439 0.155 Uiso 1 1 calc R U . . .
C48 C 0.2876(8) 0.3090(8) -0.0340(5) 0.163(6) Uani 1 1 d D U . . .
H48A H 0.240314 0.308923 -0.038212 0.245 Uiso 1 1 calc R U . . .
H48B H 0.305027 0.319803 -0.073114 0.245 Uiso 1 1 calc R U . . .
H48C H 0.291399 0.265458 -0.026647 0.245 Uiso 1 1 calc R U . . .
C49 C 0.2940(7) 0.3601(8) 0.0815(5) 0.147(5) Uani 1 1 d D U . . .
H49A H 0.304125 0.326745 0.106073 0.220 Uiso 1 1 calc R U . . .
H49B H 0.245306 0.350008 0.068702 0.220 Uiso 1 1 calc R U . . .
H49C H 0.310740 0.403467 0.107706 0.220 Uiso 1 1 calc R U . . .
C50 C 0.4163(6) 0.2556(3) 0.0456(5) 0.137(3) Uani 1 1 d DG U . . .
C51 C 0.3976(6) 0.2270(5) 0.0983(4) 0.164(4) Uani 1 1 d G U . . .
H51 H 0.401494 0.253824 0.137737 0.197 Uiso 1 1 calc R U . . .
C52 C 0.3731(6) 0.1591(5) 0.0932(5) 0.187(4) Uani 1 1 d G U . . .
H52 H 0.360274 0.139483 0.129150 0.225 Uiso 1 1 calc R U . . .
C53 C 0.3674(7) 0.1198(3) 0.0354(6) 0.198(4) Uani 1 1 d DG U . . .
C54 C 0.3861(7) 0.1484(5) -0.0172(5) 0.181(4) Uani 1 1 d G U . . .
H54 H 0.382221 0.121608 -0.056715 0.217 Uiso 1 1 calc R U . . .
C55 C 0.4106(6) 0.2164(5) -0.0121(4) 0.158(4) Uani 1 1 d G U . . .
H55 H 0.423441 0.235949 -0.048129 0.189 Uiso 1 1 calc R U . . .
C56 C 0.3340(12) 0.0477(6) 0.0322(11) 0.238(5) Uani 1 1 d D U . . .
H56 H 0.342064 0.032308 0.071567 0.285 Uiso 1 1 calc R U . . .
C57 C 0.2631(7) -0.0599(7) -0.0081(10) 0.240(5) Uani 1 1 d D U . . .
H57A H 0.282512 -0.078822 0.027328 0.288 Uiso 1 1 calc R U . . .
H57B H 0.266770 -0.085197 -0.048371 0.288 Uiso 1 1 calc R U . . .
C59 C 0.1618(9) -0.0322(5) 0.0371(6) 0.230(5) Uani 1 1 d G U . . .
H59 H 0.189704 0.004275 0.066313 0.276 Uiso 1 1 calc R U . . .
C58 C 0.1900(6) -0.0678(8) -0.0044(8) 0.232(5) Uani 1 1 d DG U . . .
C63 C 0.1491(10) -0.1211(7) -0.0471(6) 0.238(6) Uani 1 1 d G U . . .
H63 H 0.168467 -0.145441 -0.075490 0.286 Uiso 1 1 calc R U . . .
C62 C 0.0800(9) -0.1388(5) -0.0483(6) 0.243(6) Uani 1 1 d G U . . .
H62 H 0.052060 -0.175293 -0.077511 0.292 Uiso 1 1 calc R U . . .
C61 C 0.0517(6) -0.1032(8) -0.0068(8) 0.241(6) Uani 1 1 d G U . . .
H61 H 0.004474 -0.115361 -0.007621 0.289 Uiso 1 1 calc R U . . .
C60 C 0.0926(10) -0.0499(8) 0.0359(7) 0.226(5) Uani 1 1 d DG U . . .
C64 C 0.0574(8) -0.0149(7) 0.0788(8) 0.221(5) Uani 1 1 d D U . . .
H64A H 0.018327 -0.005812 0.054194 0.265 Uiso 1 1 calc R U . . .
H64B H 0.041685 -0.041413 0.111909 0.265 Uiso 1 1 calc R U . . .
C65 C 0.1073(8) 0.0561(6) 0.1710(10) 0.190(5) Uani 1 1 d D U . . .
H65 H 0.078672 0.028180 0.194030 0.228 Uiso 1 1 calc R U . . .
C69 C 0.2486(5) 0.2323(4) 0.2680(5) 0.138(3) Uani 1 1 d DG U . . .
C70 C 0.2030(6) 0.1902(6) 0.2974(4) 0.146(4) Uani 1 1 d G U . . .
H70 H 0.202058 0.200176 0.341499 0.175 Uiso 1 1 calc R U . . .
C71 C 0.1587(5) 0.1334(5) 0.2622(6) 0.158(4) Uani 1 1 d G U . . .
H71 H 0.127504 0.104586 0.282267 0.189 Uiso 1 1 calc R U . . .
C66 C 0.1600(5) 0.1187(4) 0.1976(6) 0.167(4) Uani 1 1 d DG U . . .
C67 C 0.2057(6) 0.1609(6) 0.1683(4) 0.176(4) Uani 1 1 d G U . . .
H67 H 0.206579 0.150876 0.124136 0.211 Uiso 1 1 calc R U . . .
C68 C 0.2499(5) 0.2177(5) 0.2034(5) 0.163(4) Uani 1 1 d G U . . .
H68 H 0.281134 0.246466 0.183367 0.195 Uiso 1 1 calc R U . . .
C72 C 0.2942(7) 0.2946(7) 0.3051(6) 0.122(3) Uani 1 1 d D U . . .
C73 C 0.3607(8) 0.3084(8) 0.3392(7) 0.119(3) Uani 1 1 d . U . . .
C74 C 0.2833(8) 0.3569(8) 0.3180(7) 0.115(3) Uani 1 1 d . U . . .
C75 C 0.4019(8) 0.2611(6) 0.3467(7) 0.137(3) Uani 1 1 d D U . . .
H75 H 0.442108 0.282973 0.379724 0.165 Uiso 1 1 calc R U . . .
C76 C 0.3631(8) 0.1973(7) 0.3692(7) 0.164(5) Uani 1 1 d D U . . .
H76A H 0.320554 0.177691 0.340312 0.245 Uiso 1 1 calc R U . . .
H76B H 0.353874 0.207649 0.412294 0.245 Uiso 1 1 calc R U . . .
H76C H 0.390190 0.166063 0.369154 0.245 Uiso 1 1 calc R U . . .
C77 C 0.4269(8) 0.2477(8) 0.2828(6) 0.168(5) Uani 1 1 d D U . . .
H77A H 0.430655 0.286005 0.260526 0.252 Uiso 1 1 calc R U . . .
H77B H 0.394844 0.209121 0.256371 0.252 Uiso 1 1 calc R U . . .
H77C H 0.470946 0.239432 0.290901 0.252 Uiso 1 1 calc R U . . .
C78 C 0.2174(6) 0.377310 0.2910(6) 0.141(4) Uani 1 1 d D U . . .
H78 H 0.197061 0.332887 0.265173 0.169 Uiso 1 1 calc R U . . .
C79 C 0.2265(7) 0.4091(8) 0.2317(5) 0.147(5) Uani 1 1 d D U . . .
H79A H 0.260701 0.451654 0.242647 0.221 Uiso 1 1 calc R U . . .
H79B H 0.183809 0.415787 0.213468 0.221 Uiso 1 1 calc R U . . .
H79C H 0.240807 0.380543 0.200623 0.221 Uiso 1 1 calc R U . . .
C80 C 0.1546(8) 0.3725(10) 0.3219(7) 0.194(6) Uani 1 1 d D U . . .
H80A H 0.162775 0.410271 0.355240 0.292 Uiso 1 1 calc R U . . .
H80B H 0.143655 0.331771 0.340581 0.292 Uiso 1 1 calc R U . . .
H80C H 0.116923 0.372399 0.289674 0.292 Uiso 1 1 calc R U . . .
C81 C 0.3365(9) 0.6127(8) 0.0734(7) 0.120(3) Uani 1 1 d . U . . .
C82 C 0.3443(8) 0.6791(8) 0.0995(7) 0.126(3) Uani 1 1 d D U . . .
C83 C 0.4122(9) 0.7056(8) 0.1181(7) 0.128(3) Uani 1 1 d . U . . .
C84 C 0.2702(7) 0.5593(7) 0.0464(7) 0.134(4) Uani 1 1 d D U . . .
H84 H 0.284680 0.524849 0.020789 0.161 Uiso 1 1 calc R U . . .
C85 C 0.2417(8) 0.5251(8) 0.1007(6) 0.167(5) Uani 1 1 d D U . . .
H85A H 0.219782 0.478511 0.084983 0.251 Uiso 1 1 calc R U . . .
H85B H 0.208873 0.545905 0.116175 0.251 Uiso 1 1 calc R U . . .
H85C H 0.278343 0.529142 0.135479 0.251 Uiso 1 1 calc R U . . .
C86 C 0.2180(8) 0.5772(8) -0.0018(6) 0.173(6) Uani 1 1 d D U . . .
H86A H 0.240461 0.597753 -0.034934 0.260 Uiso 1 1 calc R U . . .
H86B H 0.197780 0.607853 0.020586 0.260 Uiso 1 1 calc R U . . .
H86C H 0.182793 0.537121 -0.021174 0.260 Uiso 1 1 calc R U . . .
C87 C 0.4561(9) 0.7723(7) 0.1498(6) 0.146(4) Uani 1 1 d D U . . .
H87 H 0.504000 0.771652 0.151849 0.175 Uiso 1 1 calc R U . . .
C88 C 0.4420(10) 0.7830(8) 0.2181(6) 0.199(7) Uani 1 1 d D U . . .
H88A H 0.474859 0.822748 0.241645 0.298 Uiso 1 1 calc R U . . .
H88B H 0.445570 0.745001 0.238903 0.298 Uiso 1 1 calc R U . . .
H88C H 0.396636 0.787979 0.217499 0.298 Uiso 1 1 calc R U . . .
C89 C 0.4453(10) 0.8243(7) 0.1086(7) 0.188(6) Uani 1 1 d D U . . .
H89A H 0.397549 0.814158 0.091002 0.282 Uiso 1 1 calc R U . . .
H89B H 0.471683 0.824316 0.073828 0.282 Uiso 1 1 calc R U . . .
H89C H 0.459723 0.867787 0.134718 0.282 Uiso 1 1 calc R U . . .
C93 C 0.1882(5) 0.7739(5) 0.1156(5) 0.157(3) Uani 1 1 d DG U . . .
C94 C 0.2062(5) 0.7387(5) 0.1625(4) 0.162(4) Uani 1 1 d G U . . .
H94 H 0.183571 0.735193 0.198417 0.194 Uiso 1 1 calc R U . . .
C95 C 0.2572(5) 0.7087(5) 0.1570(4) 0.157(3) Uani 1 1 d G U . . .
H95 H 0.269500 0.684661 0.189037 0.189 Uiso 1 1 calc R U . . .
C90 C 0.2903(5) 0.7138(5) 0.1045(5) 0.136(3) Uani 1 1 d DG U . . .
C91 C 0.2723(5) 0.7490(5) 0.0576(4) 0.145(3) Uani 1 1 d G U . . .
H91 H 0.294951 0.752524 0.021683 0.174 Uiso 1 1 calc R U . . .
C92 C 0.2213(5) 0.7790(5) 0.0631(4) 0.150(3) Uani 1 1 d G U . . .
H92 H 0.209021 0.803056 0.031062 0.180 Uiso 1 1 calc R U . . .
C96 C 0.1346(8) 0.8078(8) 0.1213(9) 0.166(4) Uani 1 1 d D U . . .
H96 H 0.123691 0.831620 0.088512 0.199 Uiso 1 1 calc R U . . .
C97 C 0.0529(8) 0.8426(7) 0.1673(7) 0.187(4) Uani 1 1 d D U . . .
H97A H 0.007592 0.811415 0.163312 0.224 Uiso 1 1 calc R U . . .
H97B H 0.054088 0.865428 0.129496 0.224 Uiso 1 1 calc DR U . . .
C99 C 0.1259(6) 0.9131(6) 0.2655(7) 0.192(4) Uani 1 1 d G U . . .
H99 H 0.162509 0.897466 0.255111 0.230 Uiso 1 1 calc R U . . .
C98 C 0.0644(8) 0.8920(5) 0.2256(5) 0.189(4) Uani 1 1 d DG U . . .
C103 C 0.0109(6) 0.9148(6) 0.2409(7) 0.203(5) Uani 1 1 d G U . . .
H103 H -0.031191 0.900383 0.213569 0.244 Uiso 1 1 calc R U . . .
C102 C 0.0190(6) 0.9587(6) 0.2961(7) 0.209(5) Uani 1 1 d G U . . .
H102 H -0.017608 0.974328 0.306528 0.251 Uiso 1 1 calc R U . . .
C101 C 0.0805(8) 0.9798(5) 0.3360(6) 0.209(5) Uani 1 1 d G U . . .
H101 H 0.086033 1.009841 0.373780 0.251 Uiso 1 1 calc R U . . .
C100 C 0.1340(6) 0.9570(6) 0.3208(7) 0.202(4) Uani 1 1 d DG U . . .
C104 C 0.1984(8) 0.9897(7) 0.3643(9) 0.212(5) Uani 1 1 d D U . . .
H10A H 0.229684 1.018743 0.341620 0.254 Uiso 1 1 calc R U . . .
H10B H 0.189748 1.016997 0.401031 0.254 Uiso 1 1 calc R U . . .
C105 C 0.2664(12) 0.9209(9) 0.3774(11) 0.224(5) Uani 1 1 d D U . . .
H105 H 0.293064 0.946051 0.351045 0.269 Uiso 1 1 calc R U . . .
C106 C 0.2925(6) 0.8640(5) 0.3930(6) 0.197(4) Uani 1 1 d DG U . . .
C111 C 0.2811(5) 0.8309(6) 0.4447(5) 0.188(4) Uani 1 1 d G U . . .
H111 H 0.256532 0.845116 0.475213 0.225 Uiso 1 1 calc R U . . .
C110 C 0.3056(6) 0.7770(5) 0.4518(5) 0.169(4) Uani 1 1 d G U . . .
H110 H 0.297774 0.754360 0.487213 0.202 Uiso 1 1 calc R U . . .
C109 C 0.3415(6) 0.7562(4) 0.4072(6) 0.152(3) Uani 1 1 d DG U . . .
C108 C 0.3530(6) 0.7893(6) 0.3555(5) 0.168(4) Uani 1 1 d G U . . .
H108 H 0.377516 0.775113 0.324948 0.202 Uiso 1 1 calc R U . . .
C107 C 0.3285(6) 0.8432(5) 0.3483(5) 0.189(4) Uani 1 1 d G U . . .
H107 H 0.336275 0.865869 0.312946 0.227 Uiso 1 1 calc R U . . .
C112 C 0.3652(8) 0.6965(7) 0.4156(7) 0.125(3) Uani 1 1 d D U . . .
C113 C 0.3249(8) 0.6329(9) 0.3916(7) 0.124(3) Uani 1 1 d . U . . .
C114 C 0.4258(8) 0.6911(8) 0.4390(7) 0.121(3) Uani 1 1 d . U . . .
C115 C 0.2542(7) 0.5973(9) 0.3566(6) 0.147(4) Uani 1 1 d D U . . .
H115 H 0.250887 0.549888 0.358655 0.176 Uiso 1 1 calc R U . . .
C116 C 0.2532(8) 0.6021(10) 0.2868(6) 0.201(7) Uani 1 1 d D U . . .
H11A H 0.264518 0.648416 0.280827 0.302 Uiso 1 1 calc R U . . .
H11B H 0.208303 0.579139 0.263502 0.302 Uiso 1 1 calc R U . . .
H11C H 0.286178 0.581783 0.270804 0.302 Uiso 1 1 calc R U . . .
C117 C 0.2004(7) 0.6097(9) 0.3930(7) 0.171(6) Uani 1 1 d D U . . .
H11D H 0.213255 0.607572 0.438091 0.257 Uiso 1 1 calc R U . . .
H11E H 0.157826 0.576256 0.376409 0.257 Uiso 1 1 calc R U . . .
H11F H 0.195127 0.653366 0.388181 0.257 Uiso 1 1 calc R U . . .
C118 C 0.4875(9) 0.7422(7) 0.4715(7) 0.148(4) Uani 1 1 d D U . . .
H118 H 0.515967 0.718355 0.494567 0.178 Uiso 1 1 calc R U . . .
C119 C 0.5268(8) 0.7715(7) 0.4203(7) 0.163(5) Uani 1 1 d D U . . .
H11G H 0.499637 0.793128 0.394223 0.244 Uiso 1 1 calc R U . . .
H11H H 0.536867 0.736344 0.393325 0.244 Uiso 1 1 calc R U . . .
H11I H 0.568790 0.803810 0.440847 0.244 Uiso 1 1 calc R U . . .
C120 C 0.4741(9) 0.7915(8) 0.5222(7) 0.195(6) Uani 1 1 d D U . . .
H12A H 0.426905 0.777228 0.528141 0.293 Uiso 1 1 calc R U . . .
H12B H 0.483586 0.834991 0.508618 0.293 Uiso 1 1 calc R U . . .
H12C H 0.503109 0.793780 0.562450 0.293 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.3261(8) . ?
Au1 Au3 3.3362(9) . ?
Au1 N1 2.034(11) . ?
Au1 N6 1.921(13) . ?
Au2 Au3 3.3532(8) . ?
Au2 N2 2.004(12) . ?
Au2 N3 1.956(11) . ?
Au3 N4 1.990(9) . ?
Au3 N5 1.994(10) . ?
Au4 Au5 3.2895(7) 2_666 ?
Au4 Au5 3.3609(8) . ?
Au4 Au6 3.3256(9) . ?
Au4 N7 1.994(10) . ?
Au4 N12 1.995(10) . ?
Au5 Au6 3.3353(7) . ?
Au5 N8 1.976(11) . ?
Au5 N9 1.892(12) . ?
Au6 N10 1.923(11) . ?
Au6 N11 1.993(12) . ?
N1 N2 1.437(14) . ?
N1 C1 1.389(17) . ?
N2 C3 1.303(17) . ?
N3 N4 1.410(13) . ?
N3 C41 1.332(14) . ?
N4 C43 1.331(15) . ?
N5 N6 1.409(14) . ?
N5 C81 1.259(16) . ?
N6 C83 1.403(17) . ?
N7 N8 1.425(13) . ?
N7 C33 1.315(15) . ?
N8 C34 1.381(15) . ?
N9 N10 1.400(13) . ?
N9 C73 1.365(16) . ?
N10 C74 1.295(16) . ?
N11 N12 1.389(14) . ?
N11 C113 1.394(17) . ?
N12 C114 1.290(17) . ?
N13 C16 1.166(17) . ?
N13 C17 1.478(14) . ?
N14 C24 1.506(14) . ?
N14 C25 1.262(19) . ?
N15 C56 1.088(19) . ?
N15 C57 1.476(9) . ?
N16 C64 1.470(9) . ?
N16 C65 1.36(2) . ?
N17 C96 1.277(17) . ?
N17 C97 1.461(9) . ?
N18 C104 1.469(9) . ?
N18 C105 1.00(2) . ?
C1 C2 1.327(18) . ?
C1 C4 1.487(18) . ?
C2 C3 1.468(19) . ?
C2 C10 1.453(13) . ?
C3 C7 1.336(18) . ?
C4 H4 1.0000 . ?
C4 C5 1.517(9) . ?
C4 C6 1.541(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C8 1.508(9) . ?
C7 C9 1.485(9) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C13 C16 1.487(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.3900 . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.532(12) . ?
C19 H19 0.9500 . ?
C19 C18 1.3900 . ?
C19 C20 1.3900 . ?
C18 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C22 1.3900 . ?
C22 H22 0.9500 . ?
C22 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C20 1.3900 . ?
C20 C24 1.492(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25 0.9500 . ?
C25 C26 1.500(11) . ?
C29 C30 1.3900 . ?
C29 C28 1.3900 . ?
C29 C32 1.494(12) . ?
C30 H30 0.9500 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C28 1.3900 . ?
C28 H28 0.9500 . ?
C32 C33 1.400(17) . ?
C32 C34 1.293(17) . ?
C33 C35 1.499(18) . ?
C34 C38 1.548(18) . ?
C35 H35 1.0000 . ?
C35 C36 1.539(9) . ?
C35 C37 1.522(9) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 1.0000 . ?
C38 C39 1.509(9) . ?
C38 C40 1.542(8) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.384(18) . ?
C41 C44 1.452(18) . ?
C42 C43 1.386(17) . ?
C42 C50 1.499(12) . ?
C43 C47 1.481(18) . ?
C44 H44 1.0000 . ?
C44 C45 1.538(8) . ?
C44 C46 1.531(8) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47 1.0000 . ?
C47 C48 1.529(9) . ?
C47 C49 1.534(9) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.3900 . ?
C50 C55 1.3900 . ?
C51 H51 0.9500 . ?
C51 C52 1.3900 . ?
C52 H52 0.9500 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C53 C56 1.501(8) . ?
C54 H54 0.9500 . ?
C54 C55 1.3900 . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.503(9) . ?
C59 H59 0.9500 . ?
C59 C58 1.3900 . ?
C59 C60 1.3900 . ?
C58 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C62 1.3900 . ?
C62 H62 0.9500 . ?
C62 C61 1.3900 . ?
C61 H61 0.9500 . ?
C61 C60 1.3900 . ?
C60 C64 1.498(9) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65 0.9500 . ?
C65 C66 1.494(8) . ?
C69 C70 1.3900 . ?
C69 C68 1.3900 . ?
C69 C72 1.490(13) . ?
C70 H70 0.9500 . ?
C70 C71 1.3900 . ?
C71 H71 0.9500 . ?
C71 C66 1.3900 . ?
C66 C67 1.3900 . ?
C67 H67 0.9500 . ?
C67 C68 1.3900 . ?
C68 H68 0.9500 . ?
C72 C73 1.428(18) . ?
C72 C74 1.410(18) . ?
C73 C75 1.496(19) . ?
C74 C78 1.610(18) . ?
C75 H75 1.0000 . ?
C75 C76 1.548(9) . ?
C75 C77 1.550(9) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78 1.0000 . ?
C78 C79 1.512(9) . ?
C78 C80 1.526(9) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.423(18) . ?
C81 C84 1.543(19) . ?
C82 C83 1.37(2) . ?
C82 C90 1.510(12) . ?
C83 C87 1.51(2) . ?
C84 H84 1.0000 . ?
C84 C85 1.538(9) . ?
C84 C86 1.558(9) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87 1.0000 . ?
C87 C88 1.533(9) . ?
C87 C89 1.534(9) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C93 C94 1.3900 . ?
C93 C92 1.3900 . ?
C93 C96 1.493(8) . ?
C94 H94 0.9500 . ?
C94 C95 1.3900 . ?
C95 H95 0.9500 . ?
C95 C90 1.3900 . ?
C90 C91 1.3900 . ?
C91 H91 0.9500 . ?
C91 C92 1.3900 . ?
C92 H92 0.9500 . ?
C96 H96 0.9500 . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C97 C98 1.494(8) . ?
C99 H99 0.9500 . ?
C99 C98 1.3900 . ?
C99 C100 1.3900 . ?
C98 C103 1.3900 . ?
C103 H103 0.9500 . ?
C103 C102 1.3900 . ?
C102 H102 0.9500 . ?
C102 C101 1.3900 . ?
C101 H101 0.9500 . ?
C101 C100 1.3900 . ?
C100 C104 1.491(9) . ?
C104 H10A 0.9900 . ?
C104 H10B 0.9900 . ?
C105 H105 0.9500 . ?
C105 C106 1.506(8) . ?
C106 C111 1.3900 . ?
C106 C107 1.3900 . ?
C111 H111 0.9500 . ?
C111 C110 1.3900 . ?
C110 H110 0.9500 . ?
C110 C109 1.3900 . ?
C109 C108 1.3900 . ?
C109 C112 1.501(12) . ?
C108 H108 0.9500 . ?
C108 C107 1.3900 . ?
C107 H107 0.9500 . ?
C112 C113 1.40(2) . ?
C112 C114 1.343(19) . ?
C113 C115 1.53(2) . ?
C114 C118 1.49(2) . ?
C115 H115 1.0000 . ?
C115 C116 1.507(9) . ?
C115 C117 1.506(9) . ?
C116 H11A 0.9800 . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C117 H11D 0.9800 . ?
C117 H11E 0.9800 . ?
C117 H11F 0.9800 . ?
C118 H118 1.0000 . ?
C118 C119 1.538(9) . ?
C118 C120 1.531(9) . ?
C119 H11G 0.9800 . ?
C119 H11H 0.9800 . ?
C119 H11I 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au3 60.438(17) . . ?
N1 Au1 Au2 62.4(3) . . ?
N1 Au1 Au3 122.7(3) . . ?
N6 Au1 Au2 120.5(3) . . ?
N6 Au1 Au3 60.1(3) . . ?
N6 Au1 N1 175.6(4) . . ?
Au1 Au2 Au3 59.931(18) . . ?
N2 Au2 Au1 61.7(3) . . ?
N2 Au2 Au3 121.7(3) . . ?
N3 Au2 Au1 120.5(3) . . ?
N3 Au2 Au3 60.8(3) . . ?
N3 Au2 N2 173.6(4) . . ?
Au1 Au3 Au2 59.632(18) . . ?
N4 Au3 Au1 119.6(3) . . ?
N4 Au3 Au2 60.2(3) . . ?
N4 Au3 N5 175.3(4) . . ?
N5 Au3 Au1 60.9(4) . . ?
N5 Au3 Au2 120.5(4) . . ?
Au5 Au4 Au5 93.123(18) 2_666 . ?
Au5 Au4 Au6 111.42(2) 2_666 . ?
Au6 Au4 Au5 59.839(17) . . ?
N7 Au4 Au5 61.2(3) . . ?
N7 Au4 Au5 78.5(2) . 2_666 ?
N7 Au4 Au6 120.5(3) . . ?
N12 Au4 Au5 121.7(4) . . ?
N12 Au4 Au5 106.1(3) . 2_666 ?
N12 Au4 Au6 61.9(4) . . ?
N12 Au4 N7 174.0(4) . . ?
Au4 Au5 Au4 86.875(19) 2_666 . ?
Au4 Au5 Au6 108.017(19) 2_666 . ?
Au6 Au5 Au4 59.554(17) . . ?
N8 Au5 Au4 60.4(3) . . ?
N8 Au5 Au4 76.0(2) . 2_666 ?
N8 Au5 Au6 119.4(3) . . ?
N9 Au5 Au4 109.8(3) . 2_666 ?
N9 Au5 Au4 119.3(3) . . ?
N9 Au5 Au6 59.8(3) . . ?
N9 Au5 N8 174.1(4) . . ?
Au4 Au6 Au5 60.607(17) . . ?
N10 Au6 Au4 119.6(3) . . ?
N10 Au6 Au5 59.0(3) . . ?
N10 Au6 N11 177.5(4) . . ?
N11 Au6 Au4 59.9(3) . . ?
N11 Au6 Au5 120.5(3) . . ?
N2 N1 Au1 116.0(9) . . ?
C1 N1 Au1 135.1(10) . . ?
C1 N1 N2 108.9(11) . . ?
N1 N2 Au2 119.6(9) . . ?
C3 N2 Au2 133.4(11) . . ?
C3 N2 N1 106.3(13) . . ?
N4 N3 Au2 119.9(7) . . ?
C41 N3 Au2 132.8(10) . . ?
C41 N3 N4 106.0(12) . . ?
N3 N4 Au3 119.1(8) . . ?
C43 N4 Au3 130.5(10) . . ?
C43 N4 N3 109.2(10) . . ?
N6 N5 Au3 116.0(9) . . ?
C81 N5 Au3 132.1(12) . . ?
C81 N5 N6 110.5(12) . . ?
N5 N6 Au1 123.1(8) . . ?
C83 N6 Au1 131.6(11) . . ?
C83 N6 N5 104.7(13) . . ?
N8 N7 Au4 117.7(8) . . ?
C33 N7 Au4 133.2(10) . . ?
C33 N7 N8 108.2(11) . . ?
N7 N8 Au5 120.7(7) . . ?
C34 N8 Au5 135.0(10) . . ?
C34 N8 N7 103.7(11) . . ?
N10 N9 Au5 120.3(9) . . ?
C73 N9 Au5 130.9(10) . . ?
C73 N9 N10 107.4(12) . . ?
N9 N10 Au6 120.1(9) . . ?
C74 N10 Au6 134.0(10) . . ?
C74 N10 N9 105.9(12) . . ?
N12 N11 Au6 121.5(8) . . ?
N12 N11 C113 107.7(12) . . ?
C113 N11 Au6 130.6(12) . . ?
N11 N12 Au4 116.5(9) . . ?
C114 N12 Au4 134.8(12) . . ?
C114 N12 N11 107.4(12) . . ?
C16 N13 C17 121.1(17) . . ?
C25 N14 C24 121.3(16) . . ?
C56 N15 C57 136(2) . . ?
C65 N16 C64 108.8(14) . . ?
C96 N17 C97 115.2(13) . . ?
C105 N18 C104 137(3) . . ?
N1 C1 C4 117.3(14) . . ?
C2 C1 N1 107.8(14) . . ?
C2 C1 C4 134.8(17) . . ?
C1 C2 C3 107.5(14) . . ?
C1 C2 C10 125.4(16) . . ?
C10 C2 C3 127.1(14) . . ?
N2 C3 C2 109.5(13) . . ?
N2 C3 C7 122.0(18) . . ?
C7 C3 C2 128.0(17) . . ?
C1 C4 H4 102.1 . . ?
C1 C4 C5 115.2(11) . . ?
C1 C4 C6 116.6(12) . . ?
C5 C4 H4 102.1 . . ?
C5 C4 C6 115.4(10) . . ?
C6 C4 H4 102.1 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C7 H7 95.3 . . ?
C3 C7 C8 118.7(13) . . ?
C3 C7 C9 115.3(14) . . ?
C8 C7 H7 95.3 . . ?
C9 C7 H7 95.3 . . ?
C9 C7 C8 123.5(12) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C2 117.9(10) . . ?
C11 C10 C15 120.0 . . ?
C15 C10 C2 122.1(10) . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C16 121.1(12) . . ?
C14 C13 C12 120.0 . . ?
C14 C13 C16 118.9(12) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 120.0 . . ?
C14 C15 H15 120.0 . . ?
N13 C16 C13 128.1(18) . . ?
N13 C16 H16 115.9 . . ?
C13 C16 H16 115.9 . . ?
N13 C17 H17A 109.5 . . ?
N13 C17 H17B 109.5 . . ?
N13 C17 C18 110.9(14) . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C18 C17 119.6(13) . . ?
C23 C18 C17 120.4(13) . . ?
C23 C18 C19 120.0 . . ?
C18 C23 H23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C19 C20 C24 130.9(12) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 C24 109.0(12) . . ?
N14 C24 H24A 110.3 . . ?
N14 C24 H24B 110.3 . . ?
C20 C24 N14 107.3(12) . . ?
C20 C24 H24A 110.3 . . ?
C20 C24 H24B 110.3 . . ?
H24A C24 H24B 108.5 . . ?
N14 C25 H25 119.3 . . ?
N14 C25 C26 121.4(16) . . ?
C26 C25 H25 119.3 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 C32 122.1(8) . . ?
C28 C29 C32 117.9(8) . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C26 C31 C30 120.0 . . ?
C26 C31 H31 120.0 . . ?
C31 C26 C25 121.3(11) . . ?
C31 C26 C27 120.0 . . ?
C27 C26 C25 118.7(11) . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C33 C32 C29 123.0(13) . . ?
C34 C32 C29 130.0(14) . . ?
C34 C32 C33 106.9(12) . . ?
N7 C33 C32 109.1(13) . . ?
N7 C33 C35 115.2(13) . . ?
C32 C33 C35 135.6(14) . . ?
N8 C34 C38 114.2(13) . . ?
C32 C34 N8 112.1(13) . . ?
C32 C34 C38 133.7(13) . . ?
C33 C35 H35 106.2 . . ?
C33 C35 C36 109.0(11) . . ?
C33 C35 C37 115.5(11) . . ?
C36 C35 H35 106.2 . . ?
C37 C35 H35 106.2 . . ?
C37 C35 C36 113.0(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38 106.8 . . ?
C39 C38 C34 114.7(11) . . ?
C39 C38 H38 106.8 . . ?
C39 C38 C40 115.4(9) . . ?
C40 C38 C34 105.8(10) . . ?
C40 C38 H38 106.8 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N3 C41 C42 110.3(12) . . ?
N3 C41 C44 119.2(14) . . ?
C42 C41 C44 130.5(13) . . ?
C41 C42 C43 106.2(12) . . ?
C41 C42 C50 127.7(13) . . ?
C43 C42 C50 126.0(14) . . ?
N4 C43 C42 108.3(14) . . ?
N4 C43 C47 118.4(13) . . ?
C42 C43 C47 133.0(15) . . ?
C41 C44 H44 104.7 . . ?
C41 C44 C45 118.1(11) . . ?
C41 C44 C46 107.5(10) . . ?
C45 C44 H44 104.7 . . ?
C46 C44 H44 104.7 . . ?
C46 C44 C45 115.7(9) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C43 C47 H47 102.7 . . ?
C43 C47 C48 120.9(12) . . ?
C43 C47 C49 111.1(11) . . ?
C48 C47 H47 102.7 . . ?
C48 C47 C49 113.8(10) . . ?
C49 C47 H47 102.7 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C42 118.3(8) . . ?
C51 C50 C55 120.0 . . ?
C55 C50 C42 121.7(8) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 C56 116.6(12) . . ?
C54 C53 C56 123.1(12) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C50 C55 H55 120.0 . . ?
C54 C55 C50 120.0 . . ?
C54 C55 H55 120.0 . . ?
N15 C56 C53 135(2) . . ?
N15 C56 H56 112.6 . . ?
C53 C56 H56 112.6 . . ?
N15 C57 H57A 108.8 . . ?
N15 C57 H57B 108.8 . . ?
N15 C57 C58 113.6(14) . . ?
H57A C57 H57B 107.7 . . ?
C58 C57 H57A 108.8 . . ?
C58 C57 H57B 108.8 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C60 C59 H59 120.0 . . ?
C59 C58 C57 128.5(16) . . ?
C59 C58 C63 120.0 . . ?
C63 C58 C57 111.3(16) . . ?
C58 C63 H63 120.0 . . ?
C62 C63 C58 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 C62 120.0 . . ?
C60 C61 H61 120.0 . . ?
C59 C60 C64 124.0(16) . . ?
C61 C60 C59 120.0 . . ?
C61 C60 C64 116.0(16) . . ?
N16 C64 C60 104.9(15) . . ?
N16 C64 H64A 110.8 . . ?
N16 C64 H64B 110.8 . . ?
C60 C64 H64A 110.8 . . ?
C60 C64 H64B 110.8 . . ?
H64A C64 H64B 108.9 . . ?
N16 C65 H65 126.7 . . ?
N16 C65 C66 106.5(15) . . ?
C66 C65 H65 126.7 . . ?
C70 C69 C68 120.0 . . ?
C70 C69 C72 120.0(10) . . ?
C68 C69 C72 119.9(10) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C66 120.0 . . ?
C66 C71 H71 120.0 . . ?
C71 C66 C65 109.4(12) . . ?
C71 C66 C67 120.0 . . ?
C67 C66 C65 130.6(12) . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.0 . . ?
C68 C67 H67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C67 C68 H68 120.0 . . ?
C73 C72 C69 130.6(14) . . ?
C74 C72 C69 129.9(14) . . ?
C74 C72 C73 99.5(13) . . ?
N9 C73 C72 111.0(13) . . ?
N9 C73 C75 122.0(14) . . ?
C72 C73 C75 127.1(15) . . ?
N10 C74 C72 116.0(14) . . ?
N10 C74 C78 117.5(12) . . ?
C72 C74 C78 126.1(13) . . ?
C73 C75 H75 107.9 . . ?
C73 C75 C76 112.4(12) . . ?
C73 C75 C77 107.7(12) . . ?
C76 C75 H75 107.9 . . ?
C76 C75 C77 112.7(10) . . ?
C77 C75 H75 107.9 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77 H77A 109.5 . . ?
C75 C77 H77B 109.5 . . ?
C75 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C74 C78 H78 91.5 . . ?
C79 C78 C74 111.6(10) . . ?
C79 C78 H78 91.5 . . ?
C79 C78 C80 121.4(10) . . ?
C80 C78 C74 126.8(11) . . ?
C80 C78 H78 91.5 . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N5 C81 C82 110.8(16) . . ?
N5 C81 C84 121.8(14) . . ?
C82 C81 C84 127.4(14) . . ?
C81 C82 C90 128.0(15) . . ?
C83 C82 C81 104.9(13) . . ?
C83 C82 C90 127.1(14) . . ?
N6 C83 C87 116.8(15) . . ?
C82 C83 N6 109.0(14) . . ?
C82 C83 C87 134.2(15) . . ?
C81 C84 H84 104.0 . . ?
C81 C84 C86 118.1(12) . . ?
C85 C84 C81 109.5(12) . . ?
C85 C84 H84 104.0 . . ?
C85 C84 C86 115.3(10) . . ?
C86 C84 H84 104.0 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C83 C87 H87 107.8 . . ?
C83 C87 C88 108.1(13) . . ?
C83 C87 C89 109.2(13) . . ?
C88 C87 H87 107.8 . . ?
C88 C87 C89 115.7(10) . . ?
C89 C87 H87 107.8 . . ?
C87 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C87 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C87 C89 H89A 109.5 . . ?
C87 C89 H89B 109.5 . . ?
C87 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C94 C93 C92 120.0 . . ?
C94 C93 C96 121.0(10) . . ?
C92 C93 C96 119.0(9) . . ?
C93 C94 H94 120.0 . . ?
C93 C94 C95 120.0 . . ?
C95 C94 H94 120.0 . . ?
C94 C95 H95 120.0 . . ?
C90 C95 C94 120.0 . . ?
C90 C95 H95 120.0 . . ?
C95 C90 C82 118.3(8) . . ?
C95 C90 C91 120.0 . . ?
C91 C90 C82 121.7(8) . . ?
C90 C91 H91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C92 C91 H91 120.0 . . ?
C93 C92 H92 120.0 . . ?
C91 C92 C93 120.0 . . ?
C91 C92 H92 120.0 . . ?
N17 C96 C93 122.2(14) . . ?
N17 C96 H96 118.9 . . ?
C93 C96 H96 118.9 . . ?
N17 C97 H97A 109.1 . . ?
N17 C97 H97B 109.1 . . ?
N17 C97 C98 112.5(12) . . ?
H97A C97 H97B 107.8 . . ?
C98 C97 H97A 109.1 . . ?
C98 C97 H97B 109.1 . . ?
C98 C99 H99 120.0 . . ?
C98 C99 C100 120.0 . . ?
C100 C99 H99 120.0 . . ?
C99 C98 C97 121.6(12) . . ?
C103 C98 C97 118.4(12) . . ?
C103 C98 C99 120.0 . . ?
C98 C103 H103 120.0 . . ?
C102 C103 C98 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C103 C102 C101 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C101 H101 120.0 . . ?
C102 C101 C100 120.0 . . ?
C100 C101 H101 120.0 . . ?
C99 C100 C104 126.2(14) . . ?
C101 C100 C99 120.0 . . ?
C101 C100 C104 113.5(13) . . ?
N18 C104 C100 109.8(13) . . ?
N18 C104 H10A 109.7 . . ?
N18 C104 H10B 109.7 . . ?
C100 C104 H10A 109.7 . . ?
C100 C104 H10B 109.7 . . ?
H10A C104 H10B 108.2 . . ?
N18 C105 H105 111.0 . . ?
N18 C105 C106 138(3) . . ?
C106 C105 H105 111.0 . . ?
C111 C106 C105 125.9(13) . . ?
C111 C106 C107 120.0 . . ?
C107 C106 C105 114.0(13) . . ?
C106 C111 H111 120.0 . . ?
C110 C111 C106 120.0 . . ?
C110 C111 H111 120.0 . . ?
C111 C110 H110 120.0 . . ?
C111 C110 C109 120.0 . . ?
C109 C110 H110 120.0 . . ?
C110 C109 C112 118.3(9) . . ?
C108 C109 C110 120.0 . . ?
C108 C109 C112 121.7(9) . . ?
C109 C108 H108 120.0 . . ?
C109 C108 C107 120.0 . . ?
C107 C108 H108 120.0 . . ?
C106 C107 H107 120.0 . . ?
C108 C107 C106 120.0 . . ?
C108 C107 H107 120.0 . . ?
C113 C112 C109 122.1(14) . . ?
C114 C112 C109 130.6(16) . . ?
C114 C112 C113 106.9(13) . . ?
N11 C113 C112 105.4(14) . . ?
N11 C113 C115 114.3(15) . . ?
C112 C113 C115 140.3(15) . . ?
N12 C114 C112 112.5(16) . . ?
N12 C114 C118 117.0(14) . . ?
C112 C114 C118 130.5(16) . . ?
C113 C115 H115 103.4 . . ?
C116 C115 C113 108.3(13) . . ?
C116 C115 H115 103.4 . . ?
C116 C115 C117 123.5(11) . . ?
C117 C115 C113 112.3(13) . . ?
C117 C115 H115 103.4 . . ?
C115 C116 H11A 109.5 . . ?
C115 C116 H11B 109.5 . . ?
C115 C116 H11C 109.5 . . ?
H11A C116 H11B 109.5 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
C115 C117 H11D 109.5 . . ?
C115 C117 H11E 109.5 . . ?
C115 C117 H11F 109.5 . . ?
H11D C117 H11E 109.5 . . ?
H11D C117 H11F 109.5 . . ?
H11E C117 H11F 109.5 . . ?
C114 C118 H118 106.0 . . ?
C114 C118 C119 108.2(13) . . ?
C114 C118 C120 113.6(13) . . ?
C119 C118 H118 106.0 . . ?
C120 C118 H118 106.0 . . ?
C120 C118 C119 116.3(11) . . ?
C118 C119 H11G 109.5 . . ?
C118 C119 H11H 109.5 . . ?
C118 C119 H11I 109.5 . . ?
H11G C119 H11H 109.5 . . ?
H11G C119 H11I 109.5 . . ?
H11H C119 H11I 109.5 . . ?
C118 C120 H12A 109.5 . . ?
C118 C120 H12B 109.5 . . ?
C118 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 -7.2(11) . . . . ?
Au1 N1 N2 C3 -179.0(9) . . . . ?
Au1 N1 C1 C2 178.2(9) . . . . ?
Au1 N1 C1 C4 -0.7(19) . . . . ?
Au1 N6 C83 C82 -167.7(10) . . . . ?
Au1 N6 C83 C87 10.5(19) . . . . ?
Au2 N2 C3 C2 -169.5(9) . . . . ?
Au2 N2 C3 C7 3(2) . . . . ?
Au2 N3 N4 Au3 -1.4(9) . . . . ?
Au2 N3 N4 C43 -169.9(7) . . . . ?
Au2 N3 C41 C42 167.6(8) . . . . ?
Au2 N3 C41 C44 -11.1(16) . . . . ?
Au3 N4 C43 C42 -165.8(8) . . . . ?
Au3 N4 C43 C47 8.7(16) . . . . ?
Au3 N5 N6 Au1 -0.2(12) . . . . ?
Au3 N5 N6 C83 -172.2(8) . . . . ?
Au3 N5 C81 C82 168.9(9) . . . . ?
Au3 N5 C81 C84 -11(2) . . . . ?
Au4 Au5 N9 N10 106.2(8) 2_666 . . . ?
Au4 Au5 N9 N10 8.4(9) . . . . ?
Au4 Au5 N9 C73 173.7(10) . . . . ?
Au4 Au5 N9 C73 -88.5(11) 2_666 . . . ?
Au4 N7 N8 Au5 -1.6(9) . . . . ?
Au4 N7 N8 C34 170.6(7) . . . . ?
Au4 N7 C33 C32 -168.3(8) . . . . ?
Au4 N7 C33 C35 9.4(15) . . . . ?
Au4 N12 C114 C112 168.8(10) . . . . ?
Au4 N12 C114 C118 -14(2) . . . . ?
Au5 N8 C34 C32 170.1(8) . . . . ?
Au5 N8 C34 C38 -7.4(14) . . . . ?
Au5 N9 N10 Au6 -11.1(11) . . . . ?
Au5 N9 N10 C74 171.4(8) . . . . ?
Au5 N9 C73 C72 -166.8(9) . . . . ?
Au5 N9 C73 C75 12.9(19) . . . . ?
Au6 Au5 N9 N10 6.4(7) . . . . ?
Au6 Au5 N9 C73 171.7(13) . . . . ?
Au6 N10 C74 C72 177.9(9) . . . . ?
Au6 N10 C74 C78 4.7(19) . . . . ?
Au6 N11 N12 Au4 5.1(11) . . . . ?
Au6 N11 N12 C114 173.9(8) . . . . ?
Au6 N11 C113 C112 -174.7(9) . . . . ?
Au6 N11 C113 C115 3.4(17) . . . . ?
N1 N2 C3 C2 0.6(16) . . . . ?
N1 N2 C3 C7 173.1(14) . . . . ?
N1 C1 C2 C3 0.1(16) . . . . ?
N1 C1 C2 C10 179.6(12) . . . . ?
N1 C1 C4 C5 -73.5(18) . . . . ?
N1 C1 C4 C6 66.4(17) . . . . ?
N2 N1 C1 C2 0.2(15) . . . . ?
N2 N1 C1 C4 -178.7(10) . . . . ?
N2 C3 C7 C8 -72(2) . . . . ?
N2 C3 C7 C9 90(2) . . . . ?
N3 N4 C43 C42 0.9(13) . . . . ?
N3 N4 C43 C47 175.4(9) . . . . ?
N3 C41 C42 C43 -0.2(14) . . . . ?
N3 C41 C42 C50 178.6(10) . . . . ?
N3 C41 C44 C45 -131.8(12) . . . . ?
N3 C41 C44 C46 95.2(14) . . . . ?
N4 N3 C41 C42 0.8(12) . . . . ?
N4 N3 C41 C44 -177.9(9) . . . . ?
N4 C43 C47 C48 133.4(13) . . . . ?
N4 C43 C47 C49 -89.2(15) . . . . ?
N5 N6 C83 C82 3.3(15) . . . . ?
N5 N6 C83 C87 -178.6(11) . . . . ?
N5 C81 C82 C83 -1.3(17) . . . . ?
N5 C81 C82 C90 177.4(12) . . . . ?
N5 C81 C84 C85 93.2(16) . . . . ?
N5 C81 C84 C86 -132.1(14) . . . . ?
N6 N5 C81 C82 3.5(16) . . . . ?
N6 N5 C81 C84 -176.3(11) . . . . ?
N6 C83 C87 C88 -109.7(15) . . . . ?
N6 C83 C87 C89 123.6(14) . . . . ?
N7 N8 C34 C32 -0.4(12) . . . . ?
N7 N8 C34 C38 -177.8(8) . . . . ?
N7 C33 C35 C36 -87.6(13) . . . . ?
N7 C33 C35 C37 143.9(11) . . . . ?
N8 N7 C33 C32 -0.2(12) . . . . ?
N8 N7 C33 C35 177.5(8) . . . . ?
N8 C34 C38 C39 -142.8(10) . . . . ?
N8 C34 C38 C40 88.9(12) . . . . ?
N9 N10 C74 C72 -5.1(16) . . . . ?
N9 N10 C74 C78 -178.3(10) . . . . ?
N9 C73 C75 C76 130.1(14) . . . . ?
N9 C73 C75 C77 -105.2(15) . . . . ?
N10 N9 C73 C72 -0.1(15) . . . . ?
N10 N9 C73 C75 179.6(11) . . . . ?
N10 C74 C78 C79 77.5(14) . . . . ?
N10 C74 C78 C80 -97.2(15) . . . . ?
N11 N12 C114 C112 3.1(16) . . . . ?
N11 N12 C114 C118 179.9(11) . . . . ?
N11 C113 C115 C116 -96.8(15) . . . . ?
N11 C113 C115 C117 123.4(14) . . . . ?
N12 N11 C113 C112 1.6(14) . . . . ?
N12 N11 C113 C115 179.6(10) . . . . ?
N12 C114 C118 C119 98.1(15) . . . . ?
N12 C114 C118 C120 -131.2(14) . . . . ?
N13 C17 C18 C19 27(2) . . . . ?
N13 C17 C18 C23 -152.7(12) . . . . ?
N14 C25 C26 C31 -18(3) . . . . ?
N14 C25 C26 C27 162.7(17) . . . . ?
N15 C57 C58 C59 -46(2) . . . . ?
N15 C57 C58 C63 138.5(15) . . . . ?
N16 C65 C66 C71 176.1(13) . . . . ?
N16 C65 C66 C67 -3(2) . . . . ?
N17 C97 C98 C99 18.0(19) . . . . ?
N17 C97 C98 C103 -159.4(11) . . . . ?
N18 C105 C106 C111 -22(5) . . . . ?
N18 C105 C106 C107 155(4) . . . . ?
C1 N1 N2 Au2 171.2(8) . . . . ?
C1 N1 N2 C3 -0.6(15) . . . . ?
C1 C2 C3 N2 -0.5(18) . . . . ?
C1 C2 C3 C7 -172.4(16) . . . . ?
C1 C2 C10 C11 62.5(18) . . . . ?
C1 C2 C10 C15 -118.2(14) . . . . ?
C2 C1 C4 C5 108(2) . . . . ?
C2 C1 C4 C6 -112(2) . . . . ?
C2 C3 C7 C8 99(2) . . . . ?
C2 C3 C7 C9 -99(2) . . . . ?
C2 C10 C11 C12 179.3(13) . . . . ?
C2 C10 C15 C14 -179.3(14) . . . . ?
C3 C2 C10 C11 -118.1(14) . . . . ?
C3 C2 C10 C15 61.2(18) . . . . ?
C4 C1 C2 C3 178.8(15) . . . . ?
C4 C1 C2 C10 -2(3) . . . . ?
C10 C2 C3 N2 -180.0(13) . . . . ?
C10 C2 C3 C7 8(3) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C10 C15 C14 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C11 C12 C13 C16 178.0(15) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C12 C13 C16 N13 7(3) . . . . ?
C13 C14 C15 C10 0.0 . . . . ?
C14 C13 C16 N13 -175(2) . . . . ?
C15 C10 C11 C12 0.0 . . . . ?
C16 N13 C17 C18 -110(2) . . . . ?
C16 C13 C14 C15 -178.1(15) . . . . ?
C17 N13 C16 C13 178.8(17) . . . . ?
C17 C18 C23 C22 179.6(15) . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
C19 C20 C24 N14 -52(2) . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C18 C19 C20 C24 175.0(16) . . . . ?
C18 C23 C22 C21 0.0 . . . . ?
C23 C22 C21 C20 0.0 . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C22 C21 C20 C24 -176.0(13) . . . . ?
C21 C20 C24 N14 123.1(12) . . . . ?
C20 C19 C18 C17 -179.6(15) . . . . ?
C20 C19 C18 C23 0.0 . . . . ?
C24 N14 C25 C26 -174.0(14) . . . . ?
C25 N14 C24 C20 93(2) . . . . ?
C25 C26 C27 C28 179.7(14) . . . . ?
C29 C30 C31 C26 0.0 . . . . ?
C29 C32 C33 N7 178.0(9) . . . . ?
C29 C32 C33 C35 1(2) . . . . ?
C29 C32 C34 N8 -177.5(10) . . . . ?
C29 C32 C34 C38 -1(2) . . . . ?
C30 C29 C28 C27 0.0 . . . . ?
C30 C29 C32 C33 90.8(13) . . . . ?
C30 C29 C32 C34 -91.8(15) . . . . ?
C30 C31 C26 C25 -179.7(15) . . . . ?
C30 C31 C26 C27 0.0 . . . . ?
C31 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C28 C29 C32 C33 -89.8(12) . . . . ?
C28 C29 C32 C34 87.7(15) . . . . ?
C32 C29 C30 C31 179.5(12) . . . . ?
C32 C29 C28 C27 -179.5(11) . . . . ?
C32 C33 C35 C36 89.3(16) . . . . ?
C32 C33 C35 C37 -39.2(19) . . . . ?
C32 C34 C38 C39 40.4(19) . . . . ?
C32 C34 C38 C40 -87.9(16) . . . . ?
C33 N7 N8 Au5 -171.8(7) . . . . ?
C33 N7 N8 C34 0.4(11) . . . . ?
C33 C32 C34 N8 0.2(14) . . . . ?
C33 C32 C34 C38 177.0(11) . . . . ?
C34 C32 C33 N7 0.0(14) . . . . ?
C34 C32 C33 C35 -177.0(12) . . . . ?
C41 N3 N4 Au3 167.5(7) . . . . ?
C41 N3 N4 C43 -1.1(12) . . . . ?
C41 C42 C43 N4 -0.5(14) . . . . ?
C41 C42 C43 C47 -173.8(13) . . . . ?
C41 C42 C50 C51 88.2(14) . . . . ?
C41 C42 C50 C55 -93.6(14) . . . . ?
C42 C41 C44 C45 49.9(19) . . . . ?
C42 C41 C44 C46 -83.2(16) . . . . ?
C42 C43 C47 C48 -54(2) . . . . ?
C42 C43 C47 C49 83.6(18) . . . . ?
C42 C50 C51 C52 178.2(12) . . . . ?
C42 C50 C55 C54 -178.2(13) . . . . ?
C43 C42 C50 C51 -93.2(14) . . . . ?
C43 C42 C50 C55 85.0(14) . . . . ?
C44 C41 C42 C43 178.3(11) . . . . ?
C44 C41 C42 C50 -3(2) . . . . ?
C50 C42 C43 N4 -179.4(10) . . . . ?
C50 C42 C43 C47 7(2) . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C50 C55 C54 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C51 C52 C53 C56 -174.0(17) . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C52 C53 C56 N15 148(3) . . . . ?
C53 C54 C55 C50 0.0 . . . . ?
C54 C53 C56 N15 -26(5) . . . . ?
C55 C50 C51 C52 0.0 . . . . ?
C56 N15 C57 C58 95(4) . . . . ?
C56 C53 C54 C55 173.6(18) . . . . ?
C57 N15 C56 C53 -171(2) . . . . ?
C57 C58 C63 C62 176.3(13) . . . . ?
C59 C58 C63 C62 0.0 . . . . ?
C59 C60 C64 N16 13.1(18) . . . . ?
C58 C59 C60 C61 0.0 . . . . ?
C58 C59 C60 C64 179.8(14) . . . . ?
C58 C63 C62 C61 0.0 . . . . ?
C63 C62 C61 C60 0.0 . . . . ?
C62 C61 C60 C59 0.0 . . . . ?
C62 C61 C60 C64 -179.8(13) . . . . ?
C61 C60 C64 N16 -167.1(10) . . . . ?
C60 C59 C58 C57 -175.6(16) . . . . ?
C60 C59 C58 C63 0.0 . . . . ?
C64 N16 C65 C66 179.5(13) . . . . ?
C65 N16 C64 C60 -133.5(17) . . . . ?
C65 C66 C67 C68 179.1(14) . . . . ?
C69 C70 C71 C66 0.0 . . . . ?
C69 C72 C73 N9 178.8(13) . . . . ?
C69 C72 C73 C75 -1(2) . . . . ?
C69 C72 C74 N10 -176.6(13) . . . . ?
C69 C72 C74 C78 -4(2) . . . . ?
C70 C69 C68 C67 0.0 . . . . ?
C70 C69 C72 C73 92.3(17) . . . . ?
C70 C69 C72 C74 -85.9(16) . . . . ?
C70 C71 C66 C65 -179.3(11) . . . . ?
C70 C71 C66 C67 0.0 . . . . ?
C71 C66 C67 C68 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C68 C69 C72 C73 -90.2(16) . . . . ?
C68 C69 C72 C74 91.6(16) . . . . ?
C72 C69 C70 C71 177.5(11) . . . . ?
C72 C69 C68 C67 -177.5(11) . . . . ?
C72 C73 C75 C76 -50.2(19) . . . . ?
C72 C73 C75 C77 74.5(17) . . . . ?
C72 C74 C78 C79 -95.0(14) . . . . ?
C72 C74 C78 C80 90.4(18) . . . . ?
C73 N9 N10 Au6 -179.5(8) . . . . ?
C73 N9 N10 C74 3.0(14) . . . . ?
C73 C72 C74 N10 4.8(16) . . . . ?
C73 C72 C74 C78 177.4(12) . . . . ?
C74 C72 C73 N9 -2.6(15) . . . . ?
C74 C72 C73 C75 177.7(13) . . . . ?
C81 N5 N6 Au1 167.8(9) . . . . ?
C81 N5 N6 C83 -4.2(14) . . . . ?
C81 C82 C83 N6 -1.4(17) . . . . ?
C81 C82 C83 C87 -179.1(15) . . . . ?
C81 C82 C90 C95 86.0(15) . . . . ?
C81 C82 C90 C91 -92.5(16) . . . . ?
C82 C81 C84 C85 -86.5(17) . . . . ?
C82 C81 C84 C86 48(2) . . . . ?
C82 C83 C87 C88 68(2) . . . . ?
C82 C83 C87 C89 -59(2) . . . . ?
C82 C90 C91 C92 178.5(12) . . . . ?
C83 C82 C90 C95 -95.6(16) . . . . ?
C83 C82 C90 C91 85.9(17) . . . . ?
C84 C81 C82 C83 178.4(13) . . . . ?
C84 C81 C82 C90 -3(2) . . . . ?
C93 C94 C95 C90 0.0 . . . . ?
C94 C93 C92 C91 0.0 . . . . ?
C94 C93 C96 N17 0(2) . . . . ?
C94 C95 C90 C82 -178.5(12) . . . . ?
C94 C95 C90 C91 0.0 . . . . ?
C95 C90 C91 C92 0.0 . . . . ?
C90 C82 C83 N6 179.8(11) . . . . ?
C90 C82 C83 C87 2(3) . . . . ?
C90 C91 C92 C93 0.0 . . . . ?
C92 C93 C94 C95 0.0 . . . . ?
C92 C93 C96 N17 -179.1(16) . . . . ?
C96 N17 C97 C98 -124.3(18) . . . . ?
C96 C93 C94 C95 -178.6(13) . . . . ?
C96 C93 C92 C91 178.7(13) . . . . ?
C97 N17 C96 C93 178.9(14) . . . . ?
C97 C98 C103 C102 177.4(13) . . . . ?
C99 C98 C103 C102 0.0 . . . . ?
C99 C100 C104 N18 -57(2) . . . . ?
C98 C99 C100 C101 0.0 . . . . ?
C98 C99 C100 C104 -172.8(15) . . . . ?
C98 C103 C102 C101 0.0 . . . . ?
C103 C102 C101 C100 0.0 . . . . ?
C102 C101 C100 C99 0.0 . . . . ?
C102 C101 C100 C104 173.6(13) . . . . ?
C101 C100 C104 N18 129.9(14) . . . . ?
C100 C99 C98 C97 -177.3(13) . . . . ?
C100 C99 C98 C103 0.0 . . . . ?
C104 N18 C105 C106 -169.2(19) . . . . ?
C105 N18 C104 C100 103(4) . . . . ?
C105 C106 C111 C110 176.9(17) . . . . ?
C105 C106 C107 C108 -177.2(15) . . . . ?
C106 C111 C110 C109 0.0 . . . . ?
C111 C106 C107 C108 0.0 . . . . ?
C111 C110 C109 C108 0.0 . . . . ?
C111 C110 C109 C112 -178.1(13) . . . . ?
C110 C109 C108 C107 0.0 . . . . ?
C110 C109 C112 C113 87.0(15) . . . . ?
C110 C109 C112 C114 -100.6(16) . . . . ?
C109 C108 C107 C106 0.0 . . . . ?
C109 C112 C113 N11 174.2(11) . . . . ?
C109 C112 C113 C115 -3(3) . . . . ?
C109 C112 C114 N12 -175.4(13) . . . . ?
C109 C112 C114 C118 8(3) . . . . ?
C108 C109 C112 C113 -91.1(15) . . . . ?
C108 C109 C112 C114 81.3(18) . . . . ?
C107 C106 C111 C110 0.0 . . . . ?
C112 C109 C108 C107 178.0(13) . . . . ?
C112 C113 C115 C116 80(2) . . . . ?
C112 C113 C115 C117 -60(2) . . . . ?
C112 C114 C118 C119 -85.7(19) . . . . ?
C112 C114 C118 C120 45(2) . . . . ?
C113 N11 N12 Au4 -171.5(8) . . . . ?
C113 N11 N12 C114 -2.8(14) . . . . ?
C113 C112 C114 N12 -2.1(18) . . . . ?
C113 C112 C114 C118 -178.4(14) . . . . ?
C114 C112 C113 N11 0.2(16) . . . . ?
C114 C112 C113 C115 -177.1(16) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.878 -0.911 -0.499 4065.8 963.8 '23 DCM'
2 0.525 0.472 0.747 166.6 49.9 '1.25 DCM'
3 0.475 0.528 0.253 166.6 50.7 '1.25 DCM'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 9.039
_oxdiff_exptl_absorpt_empirical_full_min 0.141
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne0253_3
_database_code_depnum_ccdc_archive 'CCDC 2284424'
loop_
_audit_author_name
_audit_author_address
'Farzaneh Fadaei Tirani'
;EPFL
Switzerland
;
_audit_update_record             
;
2024-01-18 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2024-01-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'
# start Validation Reply Form
_vrf_PLAT342_ne0253_3            
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02248 Ang.  
RESPONSE: The presence of heavy atoms in the structure; disordered structure.
;
_vrf_PLAT971_ne0253_3            
;
PROBLEM: Check Calcd Resid. Dens.  0.91Ang From Au9             2.64 eA-3  
RESPONSE: Absorption correction was applied
		  and this residual density is not certainly due to wrongly
		  assigned atom types or caused by unaccounted for twinning.
;
_vrf_PLAT973_ne0253_3            
;
PROBLEM: Check Calcd Positive Resid. Density on      Au11       1.66 eA-3  
RESPONSE: Absorption correction was applied
		  and this residual density is not certainly due to wrongly
		  assigned atom types or caused by unaccounted for twinning.
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C216 H276 Au12 N40, 12.75[C2H2Cl4]'
_chemical_formula_sum            'C241.50 H301.5 Au12 Cl51 N40'
_chemical_formula_weight         7910.55
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C241.50 H301.5 Au12 Cl51 N40'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   27.6564(2)
_cell_length_b                   27.7466(3)
_cell_length_c                   28.2657(3)
_cell_angle_alpha                112.4515(10)
_cell_angle_beta                 94.9615(8)
_cell_angle_gamma                119.2080(10)
_cell_volume                     16466.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    75502
_cell_measurement_temperature    229.99(10)
_cell_measurement_theta_max      74.1890
_cell_measurement_theta_min      1.8970
_shelx_estimated_absorpt_T_max   0.285
_shelx_estimated_absorpt_T_min   0.059
_exptl_absorpt_coefficient_mu    13.966
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.065
_exptl_absorpt_correction_type   Gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             7640
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.1983
1 0 0 0.1703
0 2 -1 0.1467
0 -2 1 0.0990
-2 2 -1 0.2070
-1 2 -1 0.1863
0 0 -1 0.1049
0 0 1 0.0161
0 -1 0 0.1149
0 1 0 0.1089
2 -2 1 0.1314

_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.0010 0.0002 0.0004 0.0221 0.0040 0.0640
1.0010 -0.0002 -0.0004 -0.0221 -0.0040 -0.0640
0.0041 1.9987 -1.0008 -0.1231 -0.0260 -0.0210
-0.0041 -1.9987 1.0008 0.1231 0.0260 0.0210
-1.9978 1.9990 -0.9999 -0.0789 -0.0179 0.1070
-0.9968 1.9988 -1.0003 -0.1010 -0.0219 0.0430
-0.0019 -0.0005 -0.9997 0.0128 -0.0574 0.0218
0.0019 0.0005 0.9997 -0.0128 0.0574 -0.0218
-0.0030 -0.9996 0.0005 0.0679 -0.0157 0.0214
0.0030 0.9996 -0.0005 -0.0679 0.0157 -0.0214
1.9978 -1.9990 0.9999 0.0789 0.0179 -0.1070

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0875
_diffrn_reflns_av_unetI/netI     0.0716
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            265630
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        66.599
_diffrn_reflns_theta_max         66.599
_diffrn_reflns_theta_min         1.884
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      229.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     67.00 101.00   0.50    0.20    --   69.60  15.00 120.00   68
  2  ω     54.00 102.00   0.50    0.20    --   66.15  15.00  60.00   96
  3  ω     80.00 106.00   0.50    0.20    --   69.60  15.00 -90.00   52
  4  ω     62.00  90.00   0.50    0.20    --   66.15  15.00-180.00   56
  5  ω     48.00 113.00   0.50    0.20    --   78.02  15.00-180.00  130
  6  ω     38.00 103.00   0.50    0.20    --   69.60  15.00-150.00  130
  7  ω     44.00  71.00   0.50    0.20    --   69.60  15.00 -90.00   54
  8  ω     67.00 106.00   0.50    0.20    --   78.02  15.00 -60.00   78
  9  ω     47.00  94.00   0.50    0.20    --   78.02  15.00   0.00   94
 10  ω     69.00 123.00   0.50    0.20    --   78.02  15.00  30.00  108
 11  ω     64.00 109.00   0.50    0.20    --   78.02  15.00  90.00   90
 12  ω     29.00  65.00   0.50    0.20    --   66.15 -95.00  90.00   72
 13  ω     43.00  77.00   0.50    0.20    --   78.02-125.00  60.00   68
 14  ω     74.00 104.00   0.50    0.20    --   78.02-125.00   0.00   60
 15  ω     44.00  69.00   0.50    0.20    --   78.02-125.00   0.00   50
 16  ω     29.00  63.00   0.50    0.20    --   69.60-125.00-120.00   68
 17  ω     56.00 105.00   0.50    0.20    --   78.02-125.00-180.00   98
 18  ω     38.00 105.00   0.50    0.20    --   78.02-125.00 -90.00  134
 19  ω     80.00 105.00   0.50    0.20    --   78.02-125.00 -60.00   50
 20  ω     80.00 105.00   0.50    0.20    --   78.02-125.00  30.00   50
 21  ω     80.00 105.00   0.50    0.20    --   78.02-125.00  90.00   50
 22  ω     80.00 105.00   0.50    0.20    --   78.02-125.00 120.00   50
 23  ω     47.00 105.00   0.50    0.20    --   78.02-125.00 150.00  116
 24  ω     41.00  66.00   0.50    0.20    --   78.02 -96.00  48.00   50
 25  ω     31.00  61.00   0.50    0.20    --   66.15 -96.00  48.00   60
 26  ω     32.00  57.00   0.50    0.20    --   69.60 -96.00  48.00   50
 27  ω     29.00  64.00   0.50    0.20    --   66.15 -95.00 -30.00   70
 28  ω     37.00  68.00   0.50    0.20    --   78.02-125.00 -60.00   62
 29  ω     30.00  71.00   0.50    0.20    --   66.15 -95.00   0.00   82
 30  ω     34.00  63.00   0.50    0.20    --   69.60 -95.00 -60.00   58
 31  ω     33.00  73.00   0.50    0.20    --   69.60 -95.00 150.00   80
 32  ω     80.00 105.00   0.50    0.20    --   78.02-125.00-150.00   50
 33  ω     36.00  62.00   0.50    0.20    --   78.02-125.00-150.00   52
 34  ω     43.00  69.00   0.50    0.20    --   66.15 -95.00-150.00   52
 35  ω   -103.00 -74.00   0.50    0.20    --  -66.74   0.00 -30.00   58
 36  ω   -104.00 -72.00   0.50    0.20    --  -66.74   0.00-150.00   64
 37  ω   -103.00 -72.00   0.50    0.20    --  -66.74   0.00 -60.00   62
 38  ω   -107.00 -72.00   0.50    0.20    --  -69.40   0.00   0.00   70
 39  ω   -104.00 -72.00   0.50    0.20    --  -66.74   0.00  60.00   64
 40  ω   -103.00 -72.00   0.50    0.20    --  -69.40   0.00  90.00   62
 41  ω    -78.00 -53.00   0.50    0.20    --  -69.40  96.00 157.00   50
 42  ω   -113.00 -87.00   0.50    0.20    --  -74.85 144.00 169.90   52
 43  ω    -80.00 -40.00   0.50    0.20    --  -74.85 144.00 169.90   80
 44  ω   -111.00 -85.00   0.50    0.20    --  -74.85 139.00  84.11   52
 45  ω   -112.00 -34.00   0.50    0.20    --  -74.00 146.00  15.96  156
 46  ω   -116.00 -45.00   0.50    0.20    --  -74.85 146.00 -15.63  142
 47  ω   -112.00 -76.00   0.50    0.20    --  -74.85 140.00 -63.80   72
 48  ω    -70.00 -33.00   0.50    0.20    --  -74.85 140.00 -63.80   74
 49  ω    -92.00 -32.00   0.50    0.20    --  -69.40 125.00-120.00  120
 50  ω    -92.00 -66.00   0.50    0.20    --  -74.85 111.00-114.87   52
 51  ω    -94.00 -64.00   0.50    0.20    --  -74.00 114.00 141.63   60
 52  ω    -65.00 -39.00   0.50    0.20    --  -66.74  96.00 157.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0220896000
_diffrn_orient_matrix_UB_12      -0.0678892000
_diffrn_orient_matrix_UB_13      -0.0126793000
_diffrn_orient_matrix_UB_21      -0.0040151000
_diffrn_orient_matrix_UB_22      0.0157691000
_diffrn_orient_matrix_UB_23      0.0574102000
_diffrn_orient_matrix_UB_31      -0.0639902000
_diffrn_orient_matrix_UB_32      -0.0212488000
_diffrn_orient_matrix_UB_33      -0.0216876000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                40389
_reflns_number_total             57857
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         2.751
_refine_diff_density_min         -2.101
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2456
_refine_ls_number_reflns         57857
_refine_ls_number_restraints     3918
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0684
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1190P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1956
_refine_ls_wR_factor_ref         0.2050
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C151-C150 = C152-C150
 1.54 with sigma of 0.02
 C9-C7 = C8-C7
 1.54 with sigma of 0.02
 C170-C168 = C169-C168
 1.54 with sigma of 0.02
 C38-C46
 1.5 with sigma of 0.02
 C166-C165 = C167-C165 = C169-C168 = C170-C168
 1.54 with sigma of 0.02
 C8-C7 = C9-C7
 1.54 with sigma of 0.02
 C7-C3
 1.5 with sigma of 0.02
 C4-C1
 1.5 with sigma of 0.02
 C151-C152
 2.54 with sigma of 0.04
 C8-C9
 2.54 with sigma of 0.04
 C169-C170
 2.54 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73
\\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C80 \\sim C81
\\sim C82 \\sim C83 \\sim C84 \\sim C85 \\sim C86 \\sim C87 \\sim C88 \\sim C89
\\sim C90 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim C97
\\sim C98 \\sim C99 \\sim C100 \\sim C101 \\sim C102 \\sim C103 \\sim C104
\\sim C105 \\sim C106 \\sim C107 \\sim C108 \\sim C109 \\sim C110 \\sim C111
\\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116 \\sim C117 \\sim C118
\\sim C119 \\sim C120 \\sim C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125
\\sim C126 \\sim C127 \\sim C128 \\sim C129 \\sim C130 \\sim C131 \\sim C132
\\sim C133 \\sim C134 \\sim C135 \\sim C136 \\sim C137 \\sim C138 \\sim C139
\\sim C140 \\sim C141 \\sim C142 \\sim C143 \\sim C144 \\sim C145 \\sim C146
\\sim C147 \\sim C148 \\sim C149 \\sim C150 \\sim C151 \\sim C152 \\sim C153
\\sim C154 \\sim C155 \\sim C156 \\sim C157 \\sim C158 \\sim C159 \\sim C160
\\sim C161 \\sim C162 \\sim C163 \\sim C164 \\sim C165 \\sim C166 \\sim C167
\\sim C168 \\sim C169 \\sim C170 \\sim C171 \\sim C172 \\sim C173 \\sim C174
\\sim C175 \\sim C176 \\sim C177 \\sim C178 \\sim C179 \\sim C180 \\sim C181
\\sim C182 \\sim C183 \\sim C184 \\sim C185 \\sim C186 \\sim C187 \\sim C188
\\sim C189 \\sim C190 \\sim C191 \\sim C192 \\sim C193 \\sim C194 \\sim C195
\\sim C196 \\sim C197 \\sim C198 \\sim C199 \\sim C200 \\sim C201 \\sim C202
\\sim C203 \\sim C204 \\sim C205 \\sim C206 \\sim C207 \\sim C208 \\sim C209
\\sim C210 \\sim C211 \\sim C212 \\sim C213 \\sim C214 \\sim C215 \\sim C216
\\sim N1 \\sim N2 \\sim N3 \\sim N4 \\sim N5 \\sim N6 \\sim N7 \\sim N8 \\sim
N9 \\sim N10 \\sim N11 \\sim N12 \\sim N13 \\sim N14 \\sim N15 \\sim N16 \\sim
N17 \\sim N18 \\sim N19 \\sim N20 \\sim N21 \\sim N22 \\sim N23 \\sim N24 \\sim
N25 \\sim N26 \\sim N27 \\sim N28 \\sim N29 \\sim N30 \\sim N31 \\sim N32 \\sim
N33 \\sim N34 \\sim N35 \\sim N36 \\sim N37 \\sim N38 \\sim N39 \\sim N40:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Ternary CH refined with riding coordinates:
 C4(H4), C7(H7), C22(H22), C25(H25), C40(H40), C43(H43), C58(H58), C61(H61),
 C76(H76), C79(H79), C94(H94), C97(H97), C111(H111), C114(H114), C129(H129),
 C132(H132), C147(H147), C150(H150), C165(H165), C168(H168), C183(H183),
 C195(H195), C201(H201), C204(H204)
5.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C18(H18A,H18B), C35(H35A,H35B), C36(H36A,H36B), C53(H53A,
 H53B), C54(H54A,H54B), C71(H71A,H71B), C72(H72A,H72B), C89(H89A,H89B),
 C90(H90A,H90B), C106(H10A,H10B), C107(H10C,H10D), C124(H12A,H12B), C125(H12C,
 H12D), C142(H14A,H14B), C143(H14C,H14D), C160(H16A,H16B), C161(H16C,H16D),
 C178(H17F,H17G), C179(H17H,H17I), C193(H19A,H19B), C194(H19C,H19D), C214(H21A,
 H21B), C215(H21C,H21D)
5.c Me refined with riding coordinates:
 C26(H26A,H26B,H26C), C77(H77A,H77B,H77C), C80(H80A,H80B,H80C), C152(H15D,H15E,
 H15F), C196(H19E,H19F,H19G)
5.d Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C29(H29), C30(H30),
 C32(H32), C33(H33), C34(H34), C47(H47), C48(H48), C50(H50), C51(H51), C52(H52),
  C65(H65), C66(H66), C68(H68), C69(H69), C70(H70), C83(H83), C84(H84),
 C86(H86), C87(H87), C88(H88), C101(H101), C102(H102), C104(H104), C105(H105),
 C118(H118), C119(H119), C121(H121), C122(H122), C123(H123), C136(H136),
 C137(H137), C139(H139), C140(H140), C141(H141), C154(H154), C155(H155),
 C157(H157), C158(H158), C159(H159), C172(H172), C173(H173), C175(H175),
 C176(H176), C177(H177), C187(H187), C188(H188), C190(H190), C191(H191),
 C192(H192), C208(H208), C209(H209), C211(H211), C212(H212), C213(H213),
 C216(H216)
5.e Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C23(H23A,
 H23B,H23C), C24(H24A,H24B,H24C), C27(H27A,H27B,H27C), C41(H41A,H41B,H41C),
 C42(H42A,H42B,H42C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C59(H59A,H59B,
 H59C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C78(H78A,
 H78B,H78C), C81(H81A,H81B,H81C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C),
 C98(H98A,H98B,H98C), C99(H99A,H99B,H99C), C112(H11A,H11B,H11C), C113(H11D,H11E,
 H11F), C115(H11G,H11H,H11I), C116(H11J,H11K,H11L), C130(H13A,H13B,H13C),
 C131(H13D,H13E,H13F), C133(H13G,H13H,H13I), C134(H13J,H13K,H13L), C148(H14E,
 H14F,H14G), C149(H14H,H14I,H14J), C151(H15A,H15B,H15C), C166(H16E,H16F,H16G),
 C167(H16H,H16I,H16J), C169(H16K,H16L,H16M), C170(H17C,H17D,H17E), C184(H18C,
 H18D,H18E), C185(H18F,H18G,H18H), C197(H19H,H19I,H19J), C202(H20A,H20B,H20C),
 C203(H20D,H20E,H20F), C205(H20G,H20H,H20I), C206(H20J,H20K,H20L)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.41046(2) 0.92206(2) 0.45859(2) 0.07630(14) Uani 1 1 d . . . . .
Au2 Au 0.53228(2) 0.92244(2) 0.48273(2) 0.07347(13) Uani 1 1 d . . . . .
Au3 Au 0.46635(2) 0.89095(2) 0.36002(2) 0.07950(14) Uani 1 1 d . . . . .
Au4 Au 0.03634(2) 0.45827(2) 0.46274(2) 0.07095(13) Uani 1 1 d . . . . .
Au5 Au 0.06082(2) 0.59562(3) 0.48054(2) 0.07285(13) Uani 1 1 d . . . . .
Au6 Au -0.03182(2) 0.46375(2) 0.36242(2) 0.06714(12) Uani 1 1 d . . . . .
Au7 Au 0.39184(2) 0.45284(3) 0.47129(2) 0.07970(14) Uani 1 1 d . . . . .
Au8 Au 0.50899(2) 0.54722(3) 0.44922(2) 0.07762(14) Uani 1 1 d . . . . .
Au9 Au 0.40945(2) 0.39688(3) 0.35098(2) 0.07785(14) Uani 1 1 d . . . . .
Au10 Au 0.09686(2) 0.37653(2) 0.05612(2) 0.06065(12) Uani 1 1 d . . . . .
Au11 Au 0.21829(2) 0.38365(2) 0.04842(2) 0.05391(10) Uani 1 1 d . . . . .
Au12 Au 0.20147(2) 0.49249(2) 0.04016(2) 0.05088(10) Uani 1 1 d . . . . .
N1 N 0.4466(4) 0.9365(4) 0.5306(4) 0.079(2) Uani 1 1 d . U . . .
N2 N 0.4928(4) 0.9317(4) 0.5393(4) 0.076(2) Uani 1 1 d . U . . .
N3 N 0.5655(4) 0.9023(4) 0.4227(4) 0.074(2) Uani 1 1 d . U . . .
N4 N 0.5364(4) 0.8860(5) 0.3728(4) 0.081(2) Uani 1 1 d . U . . .
N5 N 0.3949(4) 0.8904(4) 0.3462(4) 0.086(2) Uani 1 1 d . U . . .
N6 N 0.3683(4) 0.8982(5) 0.3845(4) 0.087(2) Uani 1 1 d . U . . .
N7 N 0.0959(3) 0.5379(5) 0.5314(4) 0.073(2) Uani 1 1 d . U . . .
N8 N 0.1076(4) 0.5959(5) 0.5374(4) 0.082(2) Uani 1 1 d . U . . .
N9 N 0.0217(4) 0.6011(5) 0.4211(4) 0.081(2) Uani 1 1 d . U . . .
N10 N -0.0139(4) 0.5473(5) 0.3726(4) 0.0699(19) Uani 1 1 d . U . . .
N11 N -0.0439(4) 0.3842(5) 0.3503(4) 0.0715(19) Uani 1 1 d . U . . .
N12 N -0.0144(4) 0.3806(5) 0.3905(4) 0.0747(19) Uani 1 1 d . U . . .
N13 N 0.4468(4) 0.5422(5) 0.5280(4) 0.081(2) Uani 1 1 d . U . . .
N14 N 0.4974(4) 0.5833(5) 0.5197(4) 0.078(2) Uani 1 1 d . U . . .
N15 N 0.5155(4) 0.5150(5) 0.3759(5) 0.084(2) Uani 1 1 d . U . . .
N16 N 0.4789(4) 0.4548(5) 0.3379(4) 0.080(2) Uani 1 1 d . U . . .
N17 N 0.3375(4) 0.3434(5) 0.3618(5) 0.091(2) Uani 1 1 d . U . . .
N18 N 0.3309(4) 0.3651(5) 0.4119(5) 0.088(2) Uani 1 1 d . U . . .
N19 N 0.1030(3) 0.3069(4) 0.0541(4) 0.0605(17) Uani 1 1 d . U . . .
N20 N 0.1542(3) 0.3104(4) 0.0543(4) 0.0621(17) Uani 1 1 d . U . . .
N21 N 0.2849(3) 0.4585(4) 0.0485(3) 0.0552(16) Uani 1 1 d . U . . .
N22 N 0.2763(3) 0.4981(3) 0.0373(3) 0.0499(15) Uani 1 1 d . U . . .
N23 N 0.1304(3) 0.4918(4) 0.0512(3) 0.0553(16) Uani 1 1 d . U . . .
N24 N 0.0898(3) 0.4471(4) 0.0617(3) 0.0559(16) Uani 1 1 d . U . . .
N25 N 0.4315(6) 0.9345(7) 0.8356(5) 0.134(4) Uani 1 1 d . U . . .
N26 N 0.3882(5) 0.7532(6) 0.8262(5) 0.119(4) Uani 1 1 d . U . . .
N27 N 0.5612(7) 0.8769(7) 0.8271(6) 0.140(4) Uani 1 1 d . U . . .
N28 N 0.4879(7) 0.8943(7) 0.9000(5) 0.134(4) Uani 1 1 d . U . . .
N29 N 0.7601(4) 0.7682(5) 0.2569(4) 0.095(3) Uani 1 1 d . U . . .
N30 N 0.6586(4) 0.5609(4) 0.1218(4) 0.074(2) Uani 1 1 d . U . . .
N31 N 0.6499(4) 0.7091(5) 0.0926(5) 0.090(3) Uani 1 1 d . U . . .
N32 N 0.7455(3) 0.6941(4) 0.1338(4) 0.073(2) Uani 1 1 d . U . . .
N33 N 0.0935(4) 0.8053(5) 0.1261(5) 0.092(3) Uani 1 1 d . U . . .
N34 N 0.0084(5) 0.8010(5) 0.2521(5) 0.094(3) Uani 1 1 d . U . . .
N35 N -0.0807(4) 0.6396(5) 0.0920(4) 0.079(2) Uani 1 1 d . U . . .
N36 N -0.0275(4) 0.7776(5) 0.1328(4) 0.079(2) Uani 1 1 d . U . . .
N37 N -0.1479(5) 0.0036(6) 0.1325(6) 0.113(3) Uani 1 1 d . U . . .
N38 N -0.0187(5) 0.0224(6) 0.2639(7) 0.131(4) Uani 1 1 d . U . . .
N39 N 0.0002(5) -0.0143(5) 0.1016(6) 0.107(3) Uani 1 1 d . U . . .
N40 N -0.1030(5) -0.0750(5) 0.1424(7) 0.116(3) Uani 1 1 d . U . . .
C1 C 0.4224(5) 0.9337(6) 0.5699(5) 0.087(3) Uani 1 1 d D U . . .
C2 C 0.4553(5) 0.9267(5) 0.6051(5) 0.081(2) Uani 1 1 d . U . . .
C3 C 0.5006(5) 0.9262(5) 0.5844(5) 0.081(2) Uani 1 1 d D U . . .
C4 C 0.3703(5) 0.9372(6) 0.5694(5) 0.094(3) Uani 1 1 d D U . . .
H4 H 0.373257 0.964065 0.553181 0.113 Uiso 1 1 calc R U . . .
C5 C 0.3732(7) 0.9710(8) 0.6295(6) 0.125(5) Uani 1 1 d . U . . .
H5A H 0.363678 0.942706 0.644494 0.188 Uiso 1 1 calc R U . . .
H5B H 0.345169 0.982496 0.630010 0.188 Uiso 1 1 calc R U . . .
H5C H 0.412585 1.008898 0.651054 0.188 Uiso 1 1 calc R U . . .
C6 C 0.3128(6) 0.8777(7) 0.5393(7) 0.117(5) Uani 1 1 d . U . . .
H6A H 0.309577 0.856956 0.501550 0.176 Uiso 1 1 calc R U . . .
H6B H 0.282398 0.885608 0.541352 0.176 Uiso 1 1 calc R U . . .
H6C H 0.308177 0.850606 0.554857 0.176 Uiso 1 1 calc R U . . .
C7 C 0.5436(6) 0.9166(5) 0.6032(6) 0.103(3) Uani 1 1 d D U . . .
H7 H 0.531420 0.913484 0.634426 0.123 Uiso 1 1 calc R U . . .
C8 C 0.6037(7) 0.9725(7) 0.6366(9) 0.164(7) Uani 1 1 d D U . . .
H8A H 0.629579 0.973355 0.615320 0.247 Uiso 1 1 calc R U . . .
H8B H 0.617275 0.970752 0.668286 0.247 Uiso 1 1 calc R U . . .
H8C H 0.604024 1.010411 0.648074 0.247 Uiso 1 1 calc R U . . .
C9 C 0.5334(7) 0.8519(6) 0.5769(7) 0.133(5) Uani 1 1 d D U . . .
H9A H 0.492051 0.819808 0.555709 0.199 Uiso 1 1 calc R U . . .
H9B H 0.545030 0.843845 0.604876 0.199 Uiso 1 1 calc R U . . .
H9C H 0.556703 0.850772 0.553212 0.199 Uiso 1 1 calc R U . . .
C10 C 0.4449(6) 0.9161(6) 0.6535(5) 0.089(3) Uani 1 1 d . U . . .
C11 C 0.4787(6) 0.9652(7) 0.7058(5) 0.104(4) Uani 1 1 d . U . . .
H11 H 0.510159 1.005030 0.712580 0.124 Uiso 1 1 calc R U . . .
C12 C 0.4655(7) 0.9545(7) 0.7456(6) 0.111(4) Uani 1 1 d . U . . .
H12 H 0.488245 0.988382 0.781197 0.134 Uiso 1 1 calc R U . . .
C13 C 0.4212(6) 0.8981(7) 0.7396(6) 0.096(3) Uani 1 1 d . U . . .
C14 C 0.3906(6) 0.8519(6) 0.6903(5) 0.097(3) Uani 1 1 d . U . . .
H14 H 0.360959 0.811802 0.684379 0.116 Uiso 1 1 calc R U . . .
C15 C 0.4006(6) 0.8603(6) 0.6455(5) 0.090(3) Uani 1 1 d . U . . .
H15 H 0.376378 0.826850 0.609995 0.108 Uiso 1 1 calc R U . . .
C16 C 0.4099(7) 0.8903(8) 0.7876(6) 0.115(4) Uani 1 1 d . U . . .
H16 H 0.384609 0.848856 0.781540 0.138 Uiso 1 1 calc R U . . .
C17 C 0.4170(8) 0.9182(9) 0.8778(6) 0.136(4) Uani 1 1 d . U . . .
H17A H 0.389347 0.872327 0.861714 0.164 Uiso 1 1 calc R U . . .
H17B H 0.398485 0.938473 0.896553 0.164 Uiso 1 1 calc R U . . .
C18 C 0.4724(8) 0.9404(9) 0.9172(6) 0.136(4) Uani 1 1 d . U . . .
H18A H 0.504650 0.980359 0.921205 0.163 Uiso 1 1 calc R U . . .
H18B H 0.467645 0.948503 0.952869 0.163 Uiso 1 1 calc R U . . .
C19 C 0.6065(5) 0.8879(6) 0.4202(5) 0.080(2) Uani 1 1 d . U . . .
C20 C 0.5985(5) 0.8572(6) 0.3634(5) 0.084(3) Uani 1 1 d . U . . .
C21 C 0.5560(6) 0.8587(6) 0.3365(5) 0.091(3) Uani 1 1 d . U . . .
C22 C 0.6442(6) 0.9024(7) 0.4694(6) 0.097(3) Uani 1 1 d . U . . .
H22 H 0.635990 0.925277 0.500610 0.116 Uiso 1 1 calc R U . . .
C23 C 0.7084(7) 0.9428(9) 0.4787(7) 0.153(7) Uani 1 1 d . U . . .
H23A H 0.730967 0.951105 0.512391 0.229 Uiso 1 1 calc R U . . .
H23B H 0.718436 0.982550 0.480892 0.229 Uiso 1 1 calc R U . . .
H23C H 0.717589 0.921082 0.448715 0.229 Uiso 1 1 calc R U . . .
C24 C 0.6314(9) 0.8413(8) 0.4692(8) 0.158(7) Uani 1 1 d . U . . .
H24A H 0.595460 0.804883 0.439565 0.236 Uiso 1 1 calc R U . . .
H24B H 0.626845 0.843497 0.503496 0.236 Uiso 1 1 calc R U . . .
H24C H 0.663876 0.837418 0.464579 0.236 Uiso 1 1 calc R U . . .
C25 C 0.5289(6) 0.8323(8) 0.2770(6) 0.107(4) Uani 1 1 d . U . . .
H25 H 0.509144 0.853218 0.274198 0.128 Uiso 1 1 calc R U . . .
C26 C 0.5741(8) 0.8495(9) 0.2487(7) 0.148(6) Uani 1 1 d . U . . .
H26A H 0.603783 0.894705 0.268637 0.222 Uiso 1 1 calc R U . . .
H26B H 0.592702 0.827229 0.247378 0.222 Uiso 1 1 calc R U . . .
H26C H 0.554734 0.837405 0.211941 0.222 Uiso 1 1 calc R U . . .
C27 C 0.4827(7) 0.7651(8) 0.2497(7) 0.128(5) Uani 1 1 d . U . . .
H27A H 0.475327 0.747521 0.210819 0.192 Uiso 1 1 calc R U . . .
H27B H 0.447035 0.758950 0.256854 0.192 Uiso 1 1 calc R U . . .
H27C H 0.494968 0.744060 0.263106 0.192 Uiso 1 1 calc R U . . .
C28 C 0.6273(5) 0.8271(6) 0.3397(5) 0.085(3) Uani 1 1 d . U . . .
C29 C 0.6830(6) 0.8622(7) 0.3312(6) 0.095(3) Uani 1 1 d . U . . .
H29 H 0.700434 0.905350 0.342900 0.114 Uiso 1 1 calc R U . . .
C30 C 0.7099(6) 0.8364(6) 0.3081(5) 0.091(3) Uani 1 1 d . U . . .
H30 H 0.746017 0.860998 0.304252 0.109 Uiso 1 1 calc R U . . .
C31 C 0.6829(6) 0.7694(6) 0.2887(5) 0.092(3) Uani 1 1 d . U . . .
C32 C 0.6312(5) 0.7367(6) 0.2958(5) 0.089(3) Uani 1 1 d . U . . .
H32 H 0.612158 0.693033 0.282474 0.106 Uiso 1 1 calc R U . . .
C33 C 0.6059(5) 0.7663(6) 0.3222(5) 0.089(3) Uani 1 1 d . U . . .
H33 H 0.571380 0.742033 0.328211 0.106 Uiso 1 1 calc R U . . .
C34 C 0.7119(6) 0.7401(7) 0.2642(5) 0.091(3) Uani 1 1 d . U . . .
H34 H 0.693316 0.696846 0.252798 0.109 Uiso 1 1 calc R U . . .
C35 C 0.7866(5) 0.7359(7) 0.2312(5) 0.099(3) Uani 1 1 d . U . . .
H35A H 0.823686 0.753242 0.257918 0.119 Uiso 1 1 calc R U . . .
H35B H 0.760309 0.690988 0.220507 0.119 Uiso 1 1 calc R U . . .
C36 C 0.7979(5) 0.7410(6) 0.1849(5) 0.094(3) Uani 1 1 d . U . . .
H36A H 0.829612 0.735246 0.179571 0.113 Uiso 1 1 calc R U . . .
H36B H 0.811638 0.783734 0.191814 0.113 Uiso 1 1 calc R U . . .
C37 C 0.3540(6) 0.8664(6) 0.2970(6) 0.090(3) Uani 1 1 d . U . . .
C38 C 0.3048(5) 0.8600(5) 0.3057(5) 0.078(2) Uani 1 1 d D U . . .
C39 C 0.3159(5) 0.8808(6) 0.3614(6) 0.090(3) Uani 1 1 d . U . . .
C40 C 0.3716(6) 0.8540(7) 0.2451(6) 0.109(4) Uani 1 1 d . U . . .
H40 H 0.414969 0.876329 0.256493 0.131 Uiso 1 1 calc R U . . .
C41 C 0.3441(7) 0.7834(8) 0.2115(7) 0.149(6) Uani 1 1 d . U . . .
H41A H 0.345713 0.766611 0.235601 0.224 Uiso 1 1 calc R U . . .
H41B H 0.365673 0.776515 0.187346 0.224 Uiso 1 1 calc R U . . .
H41C H 0.303422 0.762180 0.190206 0.224 Uiso 1 1 calc R U . . .
C42 C 0.3536(7) 0.8739(9) 0.2084(7) 0.136(5) Uani 1 1 d . U . . .
H42A H 0.366239 0.917512 0.229515 0.204 Uiso 1 1 calc R U . . .
H42B H 0.311175 0.846953 0.191313 0.204 Uiso 1 1 calc R U . . .
H42C H 0.371895 0.870282 0.180559 0.204 Uiso 1 1 calc R U . . .
C43 C 0.2779(6) 0.8831(8) 0.3957(7) 0.115(4) Uani 1 1 d . U . . .
H43 H 0.303775 0.909777 0.434203 0.138 Uiso 1 1 calc R U . . .
C44 C 0.2323(7) 0.8169(8) 0.3874(8) 0.154(6) Uani 1 1 d . U . . .
H44A H 0.252438 0.798900 0.395101 0.231 Uiso 1 1 calc R U . . .
H44B H 0.205589 0.789711 0.350059 0.231 Uiso 1 1 calc R U . . .
H44C H 0.210121 0.820378 0.411799 0.231 Uiso 1 1 calc R U . . .
C45 C 0.2450(8) 0.9115(9) 0.3864(8) 0.149(6) Uani 1 1 d . U . . .
H45A H 0.218964 0.886260 0.348874 0.223 Uiso 1 1 calc R U . . .
H45B H 0.273112 0.954446 0.393952 0.223 Uiso 1 1 calc R U . . .
H45C H 0.222017 0.911971 0.410405 0.223 Uiso 1 1 calc R U . . .
C46 C 0.2498(5) 0.8367(6) 0.2629(5) 0.076(2) Uani 1 1 d D U . . .
C47 C 0.2409(5) 0.8760(6) 0.2522(6) 0.090(3) Uani 1 1 d . U . . .
H47 H 0.269754 0.919721 0.273155 0.108 Uiso 1 1 calc R U . . .
C48 C 0.1938(5) 0.8565(6) 0.2139(6) 0.088(3) Uani 1 1 d . U . . .
H48 H 0.190407 0.886526 0.208998 0.106 Uiso 1 1 calc R U . . .
C49 C 0.1485(5) 0.7906(5) 0.1803(5) 0.077(2) Uani 1 1 d . U . . .
C50 C 0.1567(5) 0.7499(6) 0.1885(6) 0.086(3) Uani 1 1 d . U . . .
H50 H 0.129598 0.706004 0.166113 0.103 Uiso 1 1 calc R U . . .
C51 C 0.2081(5) 0.7752(6) 0.2326(5) 0.083(3) Uani 1 1 d . U . . .
H51 H 0.212089 0.746722 0.240020 0.099 Uiso 1 1 calc R U . . .
C52 C 0.0978(5) 0.7668(6) 0.1358(5) 0.077(2) Uani 1 1 d . U . . .
H52 H 0.068710 0.723182 0.114738 0.093 Uiso 1 1 calc R U . . .
C53 C 0.0390(5) 0.7789(7) 0.0819(6) 0.091(3) Uani 1 1 d . U . . .
H53A H 0.013206 0.732810 0.066150 0.109 Uiso 1 1 calc R U . . .
H53B H 0.049746 0.788444 0.052935 0.109 Uiso 1 1 calc R U . . .
C54 C 0.0072(5) 0.8090(6) 0.1070(5) 0.084(2) Uani 1 1 d . U . . .
H54A H 0.036165 0.853758 0.133597 0.101 Uiso 1 1 calc R U . . .
H54B H -0.018094 0.806664 0.078407 0.101 Uiso 1 1 calc R U . . .
C55 C 0.1378(5) 0.5494(6) 0.5692(5) 0.076(2) Uani 1 1 d . U . . .
C56 C 0.1783(5) 0.6150(6) 0.5998(5) 0.081(2) Uani 1 1 d . U . . .
C57 C 0.1602(5) 0.6417(6) 0.5800(5) 0.079(2) Uani 1 1 d . U . . .
C58 C 0.1348(5) 0.4942(7) 0.5721(6) 0.090(3) Uani 1 1 d . U . . .
H58 H 0.092869 0.458405 0.556503 0.108 Uiso 1 1 calc R U . . .
C59 C 0.1662(6) 0.4736(7) 0.5379(7) 0.118(4) Uani 1 1 d . U . . .
H59A H 0.154451 0.469927 0.502668 0.177 Uiso 1 1 calc R U . . .
H59B H 0.156282 0.432928 0.533029 0.177 Uiso 1 1 calc R U . . .
H59C H 0.208371 0.504556 0.555704 0.177 Uiso 1 1 calc R U . . .
C60 C 0.1579(6) 0.5062(7) 0.6265(6) 0.100(4) Uani 1 1 d . U . . .
H60A H 0.200326 0.527712 0.637046 0.150 Uiso 1 1 calc R U . . .
H60B H 0.140485 0.466360 0.626710 0.150 Uiso 1 1 calc R U . . .
H60C H 0.148361 0.532523 0.651925 0.150 Uiso 1 1 calc R U . . .
C61 C 0.1835(7) 0.7066(8) 0.5953(7) 0.111(4) Uani 1 1 d . U . . .
H61 H 0.152301 0.701175 0.569549 0.134 Uiso 1 1 calc R U . . .
C62 C 0.2350(8) 0.7356(9) 0.5766(8) 0.160(7) Uani 1 1 d . U . . .
H62A H 0.245816 0.777202 0.583671 0.241 Uiso 1 1 calc R U . . .
H62B H 0.223990 0.708830 0.537925 0.241 Uiso 1 1 calc R U . . .
H62C H 0.268255 0.739212 0.596245 0.241 Uiso 1 1 calc R U . . .
C63 C 0.1847(8) 0.7456(8) 0.6441(7) 0.138(6) Uani 1 1 d . U . . .
H63A H 0.156832 0.720189 0.657070 0.207 Uiso 1 1 calc R U . . .
H63B H 0.174056 0.772312 0.639068 0.207 Uiso 1 1 calc R U . . .
H63C H 0.223946 0.771858 0.670553 0.207 Uiso 1 1 calc R U . . .
C64 C 0.2347(5) 0.6478(6) 0.6462(5) 0.080(2) Uani 1 1 d . U . . .
C65 C 0.2840(5) 0.6546(6) 0.6376(5) 0.085(3) Uani 1 1 d . U . . .
H65 H 0.284609 0.639133 0.601816 0.102 Uiso 1 1 calc R U . . .
C66 C 0.3344(5) 0.6844(7) 0.6810(5) 0.092(3) Uani 1 1 d . U . . .
H66 H 0.367454 0.686336 0.673236 0.110 Uiso 1 1 calc R U . . .
C67 C 0.3385(5) 0.7114(7) 0.7350(5) 0.089(3) Uani 1 1 d . U . . .
C68 C 0.2878(5) 0.7067(7) 0.7420(5) 0.096(3) Uani 1 1 d . U . . .
H68 H 0.288184 0.724529 0.777855 0.115 Uiso 1 1 calc R U . . .
C69 C 0.2373(5) 0.6783(7) 0.7012(5) 0.091(3) Uani 1 1 d . U . . .
H69 H 0.205030 0.678728 0.708853 0.109 Uiso 1 1 calc R U . . .
C70 C 0.3900(6) 0.7397(7) 0.7795(6) 0.109(4) Uani 1 1 d . U . . .
H70 H 0.425350 0.748055 0.773175 0.131 Uiso 1 1 calc R U . . .
C71 C 0.4430(7) 0.7797(8) 0.8685(7) 0.135(5) Uani 1 1 d . U . . .
H71A H 0.436373 0.750708 0.882832 0.162 Uiso 1 1 calc R U . . .
H71B H 0.474257 0.784855 0.852680 0.162 Uiso 1 1 calc R U . . .
C72 C 0.4608(8) 0.8409(9) 0.9124(6) 0.144(5) Uani 1 1 d . U . . .
H72A H 0.489027 0.851938 0.944508 0.173 Uiso 1 1 calc R U . . .
H72B H 0.426084 0.836521 0.921695 0.173 Uiso 1 1 calc R U . . .
C73 C 0.0346(6) 0.6512(6) 0.4145(5) 0.086(3) Uani 1 1 d . U . . .
C74 C 0.0103(5) 0.6309(6) 0.3595(5) 0.077(2) Uani 1 1 d . U . . .
C75 C -0.0222(5) 0.5628(6) 0.3336(5) 0.071(2) Uani 1 1 d . U . . .
C76 C 0.0734(8) 0.7191(8) 0.4669(7) 0.123(4) Uani 1 1 d . U . . .
H76 H 0.072963 0.711845 0.498535 0.148 Uiso 1 1 calc R U . . .
C77 C 0.0419(9) 0.7486(9) 0.4686(8) 0.166(7) Uani 1 1 d . U . . .
H77A H 0.002048 0.720681 0.466622 0.250 Uiso 1 1 calc R U . . .
H77B H 0.061830 0.788282 0.502311 0.250 Uiso 1 1 calc R U . . .
H77C H 0.040795 0.756420 0.438037 0.250 Uiso 1 1 calc R U . . .
C78 C 0.1384(8) 0.7537(10) 0.4694(8) 0.181(8) Uani 1 1 d . U . . .
H78A H 0.163064 0.761995 0.501933 0.272 Uiso 1 1 calc R U . . .
H78B H 0.150756 0.793370 0.470230 0.272 Uiso 1 1 calc R U . . .
H78C H 0.142108 0.727332 0.437554 0.272 Uiso 1 1 calc R U . . .
C79 C -0.0564(6) 0.5167(6) 0.2781(5) 0.086(3) Uani 1 1 d . U . . .
H79 H -0.078468 0.475819 0.277997 0.103 Uiso 1 1 calc R U . . .
C80 C -0.1016(7) 0.5190(8) 0.2492(7) 0.128(5) Uani 1 1 d . U . . .
H80A H -0.120971 0.484652 0.212008 0.192 Uiso 1 1 calc R U . . .
H80B H -0.130501 0.514897 0.267404 0.192 Uiso 1 1 calc R U . . .
H80C H -0.083174 0.559094 0.249275 0.192 Uiso 1 1 calc R U . . .
C81 C -0.0222(8) 0.5093(8) 0.2415(6) 0.124(4) Uani 1 1 d . U . . .
H81A H -0.011574 0.481487 0.243721 0.186 Uiso 1 1 calc R U . . .
H81B H 0.013184 0.550308 0.252512 0.186 Uiso 1 1 calc R U . . .
H81C H -0.045971 0.491192 0.204391 0.186 Uiso 1 1 calc R U . . .
C82 C 0.0159(5) 0.6686(6) 0.3338(5) 0.076(2) Uani 1 1 d . U . . .
C83 C -0.0217(5) 0.6867(6) 0.3282(5) 0.085(3) Uani 1 1 d . U . . .
H83 H -0.052754 0.674961 0.342099 0.103 Uiso 1 1 calc R U . . .
C84 C -0.0141(6) 0.7218(6) 0.3023(6) 0.090(3) Uani 1 1 d . U . . .
H84 H -0.042650 0.730061 0.296587 0.108 Uiso 1 1 calc R U . . .
C85 C 0.0305(6) 0.7445(6) 0.2852(5) 0.085(2) Uani 1 1 d . U . . .
C86 C 0.0717(5) 0.7294(6) 0.2932(5) 0.083(3) Uani 1 1 d . U . . .
H86 H 0.105293 0.745766 0.283042 0.099 Uiso 1 1 calc R U . . .
C87 C 0.0629(5) 0.6912(6) 0.3154(5) 0.079(2) Uani 1 1 d . U . . .
H87 H 0.089539 0.679918 0.318466 0.094 Uiso 1 1 calc R U . . .
C88 C 0.0429(6) 0.7855(6) 0.2610(5) 0.089(3) Uani 1 1 d . U . . .
H88 H 0.077354 0.800762 0.251955 0.107 Uiso 1 1 calc R U . . .
C89 C 0.0251(6) 0.8439(7) 0.2312(6) 0.101(3) Uani 1 1 d . U . . .
H89A H 0.058912 0.849022 0.219695 0.121 Uiso 1 1 calc R U . . .
H89B H 0.037179 0.885327 0.260126 0.121 Uiso 1 1 calc R U . . .
C90 C -0.0253(6) 0.8207(6) 0.1831(5) 0.092(3) Uani 1 1 d . U . . .
H90A H -0.062680 0.799566 0.189165 0.111 Uiso 1 1 calc R U . . .
H90B H -0.020016 0.857087 0.180445 0.111 Uiso 1 1 calc R U . . .
C91 C -0.0649(5) 0.3300(6) 0.3032(5) 0.073(2) Uani 1 1 d . U . . .
C92 C -0.0505(5) 0.2919(6) 0.3111(5) 0.080(2) Uani 1 1 d . U . . .
C93 C -0.0160(6) 0.3254(6) 0.3670(6) 0.088(3) Uani 1 1 d . U . . .
C94 C -0.1033(6) 0.3165(6) 0.2521(5) 0.086(3) Uani 1 1 d . U . . .
H94 H -0.115523 0.346059 0.263487 0.103 Uiso 1 1 calc R U . . .
C95 C -0.1576(7) 0.2519(7) 0.2183(6) 0.118(5) Uani 1 1 d . U . . .
H95A H -0.179304 0.250201 0.188183 0.177 Uiso 1 1 calc R U . . .
H95B H -0.181877 0.241520 0.240339 0.177 Uiso 1 1 calc R U . . .
H95C H -0.147236 0.221731 0.204358 0.177 Uiso 1 1 calc R U . . .
C96 C -0.0709(7) 0.3292(7) 0.2154(6) 0.109(4) Uani 1 1 d . U . . .
H96A H -0.070296 0.292887 0.193444 0.164 Uiso 1 1 calc R U . . .
H96B H -0.030826 0.365967 0.236482 0.164 Uiso 1 1 calc R U . . .
H96C H -0.089984 0.337271 0.191798 0.164 Uiso 1 1 calc R U . . .
C97 C 0.0114(7) 0.3115(8) 0.4016(7) 0.117(4) Uani 1 1 d . U . . .
H97 H 0.025352 0.342872 0.440387 0.140 Uiso 1 1 calc R U . . .
C98 C 0.0618(8) 0.3131(10) 0.3849(8) 0.156(6) Uani 1 1 d . U . . .
H98A H 0.081453 0.304591 0.407551 0.233 Uiso 1 1 calc R U . . .
H98B H 0.089454 0.354509 0.389146 0.233 Uiso 1 1 calc R U . . .
H98C H 0.047224 0.281191 0.347115 0.233 Uiso 1 1 calc R U . . .
C99 C -0.0280(9) 0.2432(8) 0.3925(9) 0.176(7) Uani 1 1 d . U . . .
H99A H -0.003298 0.231058 0.403395 0.264 Uiso 1 1 calc R U . . .
H99B H -0.051687 0.214342 0.354367 0.264 Uiso 1 1 calc R U . . .
H99C H -0.053503 0.241620 0.414192 0.264 Uiso 1 1 calc R U . . .
C100 C -0.0632(5) 0.2309(6) 0.2719(5) 0.080(2) Uani 1 1 d . U . . .
C101 C -0.1091(5) 0.1747(6) 0.2615(6) 0.090(3) Uani 1 1 d . U . . .
H101 H -0.133838 0.174960 0.282229 0.108 Uiso 1 1 calc R U . . .
C102 C -0.1238(6) 0.1164(6) 0.2232(6) 0.093(3) Uani 1 1 d . U . . .
H102 H -0.156637 0.079211 0.219403 0.112 Uiso 1 1 calc R U . . .
C103 C -0.0884(6) 0.1126(6) 0.1892(6) 0.090(3) Uani 1 1 d . U . . .
C104 C -0.0388(5) 0.1724(6) 0.2008(6) 0.085(3) Uani 1 1 d . U . . .
H104 H -0.013250 0.173183 0.180767 0.102 Uiso 1 1 calc R U . . .
C105 C -0.0257(5) 0.2319(6) 0.2419(5) 0.080(3) Uani 1 1 d . U . . .
H105 H 0.007338 0.270483 0.248214 0.096 Uiso 1 1 calc R U . . .
C106 C -0.1657(7) -0.0555(7) 0.0875(8) 0.132(4) Uani 1 1 d . U . . .
H10A H -0.139312 -0.048864 0.066203 0.158 Uiso 1 1 calc R U . . .
H10B H -0.206002 -0.077448 0.063672 0.158 Uiso 1 1 calc R U . . .
C107 C -0.1619(7) -0.0948(7) 0.1146(8) 0.126(4) Uani 1 1 d . U . . .
H10C H -0.182725 -0.093157 0.140906 0.151 Uiso 1 1 calc R U . . .
H10D H -0.183316 -0.139043 0.086101 0.151 Uiso 1 1 calc R U . . .
C108 C 0.4413(5) 0.5804(6) 0.5719(5) 0.080(2) Uani 1 1 d . U . . .
C109 C 0.4894(6) 0.6460(7) 0.5926(5) 0.086(2) Uani 1 1 d . U . . .
C110 C 0.5203(5) 0.6419(6) 0.5568(5) 0.081(2) Uani 1 1 d . U . . .
C111 C 0.3885(6) 0.5474(8) 0.5885(6) 0.108(3) Uani 1 1 d . U . . .
H111 H 0.371811 0.501629 0.568479 0.130 Uiso 1 1 calc R U . . .
C112 C 0.3420(6) 0.5563(9) 0.5653(7) 0.127(5) Uani 1 1 d . U . . .
H11A H 0.306981 0.535752 0.574285 0.190 Uiso 1 1 calc R U . . .
H11B H 0.331820 0.537641 0.526122 0.190 Uiso 1 1 calc R U . . .
H11C H 0.358267 0.601081 0.581169 0.190 Uiso 1 1 calc R U . . .
C113 C 0.3982(6) 0.5641(9) 0.6424(6) 0.120(5) Uani 1 1 d . U . . .
H11D H 0.428969 0.608893 0.664572 0.181 Uiso 1 1 calc R U . . .
H11E H 0.410149 0.539865 0.650603 0.181 Uiso 1 1 calc R U . . .
H11F H 0.362228 0.555536 0.650271 0.181 Uiso 1 1 calc R U . . .
C114 C 0.5729(7) 0.6931(7) 0.5552(6) 0.112(4) Uani 1 1 d . U . . .
H114 H 0.590781 0.672904 0.534144 0.134 Uiso 1 1 calc R U . . .
C115 C 0.5504(8) 0.7151(7) 0.5188(6) 0.123(5) Uani 1 1 d . U . . .
H11G H 0.527083 0.729517 0.534678 0.184 Uiso 1 1 calc R U . . .
H11H H 0.526470 0.679797 0.482283 0.184 Uiso 1 1 calc R U . . .
H11I H 0.583983 0.749379 0.517436 0.184 Uiso 1 1 calc R U . . .
C116 C 0.6212(8) 0.7462(8) 0.6097(8) 0.164(7) Uani 1 1 d . U . . .
H11J H 0.634685 0.728783 0.627106 0.245 Uiso 1 1 calc R U . . .
H11K H 0.605903 0.767120 0.632774 0.245 Uiso 1 1 calc R U . . .
H11L H 0.653895 0.776568 0.603877 0.245 Uiso 1 1 calc R U . . .
C117 C 0.4995(6) 0.6996(7) 0.6387(6) 0.089(3) Uani 1 1 d . U . . .
C118 C 0.4809(6) 0.7350(7) 0.6337(6) 0.092(3) Uani 1 1 d . U . . .
H118 H 0.459521 0.723285 0.599030 0.111 Uiso 1 1 calc R U . . .
C119 C 0.4929(6) 0.7889(7) 0.6794(6) 0.095(3) Uani 1 1 d . U . . .
H119 H 0.483072 0.815010 0.674405 0.114 Uiso 1 1 calc R U . . .
C120 C 0.5193(6) 0.8041(7) 0.7322(6) 0.098(3) Uani 1 1 d . U . . .
C121 C 0.5417(6) 0.7661(7) 0.7357(6) 0.103(3) Uani 1 1 d . U . . .
H121 H 0.565809 0.778205 0.769179 0.124 Uiso 1 1 calc R U . . .
C122 C 0.5277(6) 0.7161(7) 0.6919(6) 0.100(3) Uani 1 1 d . U . . .
H122 H 0.536905 0.689105 0.695856 0.120 Uiso 1 1 calc R U . . .
C123 C 0.5353(7) 0.8641(8) 0.7802(7) 0.121(4) Uani 1 1 d . U . . .
H123 H 0.526516 0.891147 0.775827 0.145 Uiso 1 1 calc R U . . .
C124 C 0.5774(8) 0.9380(9) 0.8715(7) 0.143(5) Uani 1 1 d . U . . .
H12A H 0.620172 0.968957 0.886043 0.171 Uiso 1 1 calc R U . . .
H12B H 0.558814 0.955084 0.858448 0.171 Uiso 1 1 calc R U . . .
C125 C 0.5563(8) 0.9241(9) 0.9118(7) 0.147(5) Uani 1 1 d . U . . .
H12C H 0.578300 0.963223 0.946880 0.176 Uiso 1 1 calc R U . . .
H12D H 0.564492 0.894641 0.914878 0.176 Uiso 1 1 calc R U . . .
C126 C 0.5515(5) 0.5475(7) 0.3524(5) 0.082(2) Uani 1 1 d . U . . .
C127 C 0.5359(5) 0.5074(7) 0.3012(5) 0.084(2) Uani 1 1 d . U . . .
C128 C 0.4868(5) 0.4460(7) 0.2886(5) 0.084(3) Uani 1 1 d . U . . .
C129 C 0.5956(7) 0.6141(8) 0.3820(7) 0.128(4) Uani 1 1 d . U . . .
H129 H 0.602571 0.624908 0.420746 0.153 Uiso 1 1 calc R U . . .
C130 C 0.6544(9) 0.6475(11) 0.3788(9) 0.221(10) Uani 1 1 d . U . . .
H13A H 0.669821 0.621783 0.373282 0.332 Uiso 1 1 calc R U . . .
H13B H 0.680163 0.687292 0.412309 0.332 Uiso 1 1 calc R U . . .
H13C H 0.652249 0.655771 0.348502 0.332 Uiso 1 1 calc R U . . .
C131 C 0.5707(9) 0.6522(9) 0.3744(9) 0.167(7) Uani 1 1 d . U . . .
H13D H 0.602201 0.696773 0.392078 0.250 Uiso 1 1 calc R U . . .
H13E H 0.540018 0.646311 0.390503 0.250 Uiso 1 1 calc R U . . .
H13F H 0.554452 0.636782 0.335902 0.250 Uiso 1 1 calc R U . . .
C132 C 0.4536(6) 0.3797(7) 0.2386(6) 0.095(3) Uani 1 1 d . U . . .
H132 H 0.428843 0.348399 0.249599 0.114 Uiso 1 1 calc R U . . .
C133 C 0.4127(6) 0.3763(8) 0.1951(7) 0.127(5) Uani 1 1 d . U . . .
H13G H 0.398497 0.401942 0.212753 0.190 Uiso 1 1 calc R U . . .
H13H H 0.379473 0.332801 0.171866 0.190 Uiso 1 1 calc R U . . .
H13I H 0.434217 0.392179 0.173378 0.190 Uiso 1 1 calc R U . . .
C134 C 0.4917(7) 0.3617(7) 0.2143(6) 0.109(4) Uani 1 1 d . U . . .
H13J H 0.503888 0.345102 0.233766 0.163 Uiso 1 1 calc R U . . .
H13K H 0.526200 0.398689 0.217006 0.163 Uiso 1 1 calc R U . . .
H13L H 0.469947 0.329688 0.176393 0.163 Uiso 1 1 calc R U . . .
C135 C 0.5582(5) 0.5222(6) 0.2579(5) 0.077(2) Uani 1 1 d . U . . .
C136 C 0.5306(5) 0.5391(6) 0.2298(5) 0.081(2) Uani 1 1 d . U . . .
H136 H 0.498498 0.540237 0.236821 0.098 Uiso 1 1 calc R U . . .
C137 C 0.5526(5) 0.5546(6) 0.1900(5) 0.082(2) Uani 1 1 d . U . . .
H137 H 0.535870 0.568314 0.172376 0.099 Uiso 1 1 calc R U . . .
C138 C 0.5976(5) 0.5501(6) 0.1767(5) 0.074(2) Uani 1 1 d . U . . .
C139 C 0.6236(5) 0.5348(6) 0.2063(5) 0.085(3) Uani 1 1 d . U . . .
H139 H 0.656609 0.535166 0.200190 0.102 Uiso 1 1 calc R U . . .
C140 C 0.6035(5) 0.5184(6) 0.2459(5) 0.083(2) Uani 1 1 d . U . . .
H140 H 0.620999 0.505248 0.263469 0.100 Uiso 1 1 calc R U . . .
C141 C 0.6171(5) 0.5644(5) 0.1359(5) 0.072(2) Uani 1 1 d . U . . .
H141 H 0.598737 0.577022 0.118485 0.086 Uiso 1 1 calc R U . . .
C142 C 0.6761(5) 0.5770(5) 0.0822(4) 0.070(2) Uani 1 1 d . U . . .
H14A H 0.651151 0.587836 0.068487 0.084 Uiso 1 1 calc R U . . .
H14B H 0.671062 0.540645 0.051599 0.084 Uiso 1 1 calc R U . . .
C143 C 0.7404(5) 0.6331(5) 0.1058(5) 0.079(3) Uani 1 1 d . U . . .
H14C H 0.762894 0.629867 0.131754 0.095 Uiso 1 1 calc R U . . .
H14D H 0.757047 0.632227 0.076472 0.095 Uiso 1 1 calc R U . . .
C144 C 0.2856(6) 0.2911(7) 0.3274(6) 0.093(3) Uani 1 1 d . U . . .
C145 C 0.2444(6) 0.2765(7) 0.3548(6) 0.092(3) Uani 1 1 d . U . . .
C146 C 0.2744(6) 0.3235(7) 0.4068(6) 0.096(3) Uani 1 1 d . U . . .
C147 C 0.2762(7) 0.2497(8) 0.2674(6) 0.112(3) Uani 1 1 d . U . . .
H147 H 0.236164 0.211809 0.256314 0.135 Uiso 1 1 calc R U . . .
C148 C 0.3096(9) 0.2213(9) 0.2569(8) 0.165(7) Uani 1 1 d . U . . .
H14E H 0.316000 0.216005 0.222559 0.248 Uiso 1 1 calc R U . . .
H14F H 0.287753 0.180336 0.255206 0.248 Uiso 1 1 calc R U . . .
H14G H 0.347333 0.248649 0.285968 0.248 Uiso 1 1 calc R U . . .
C149 C 0.2631(9) 0.2810(10) 0.2378(7) 0.161(7) Uani 1 1 d . U . . .
H14H H 0.299810 0.315451 0.240224 0.242 Uiso 1 1 calc R U . . .
H14I H 0.241465 0.297401 0.254820 0.242 Uiso 1 1 calc R U . . .
H14J H 0.239680 0.249908 0.199908 0.242 Uiso 1 1 calc R U . . .
C150 C 0.2595(7) 0.3368(8) 0.4620(8) 0.133(5) Uani 1 1 d D U . . .
H150 H 0.297964 0.369497 0.491633 0.159 Uiso 1 1 calc R U . . .
C151 C 0.2256(8) 0.3671(9) 0.4672(9) 0.197(8) Uani 1 1 d D U . . .
H15A H 0.183713 0.334505 0.452263 0.295 Uiso 1 1 calc R U . . .
H15B H 0.235473 0.390574 0.447465 0.295 Uiso 1 1 calc R U . . .
H15C H 0.236097 0.395699 0.505311 0.295 Uiso 1 1 calc R U . . .
C152 C 0.2344(10) 0.2817(9) 0.4709(9) 0.208(8) Uani 1 1 d D U . . .
H15D H 0.259212 0.265976 0.466696 0.313 Uiso 1 1 calc R U . . .
H15E H 0.232412 0.294151 0.507378 0.313 Uiso 1 1 calc R U . . .
H15F H 0.195179 0.248727 0.444564 0.313 Uiso 1 1 calc R U . . .
C153 C 0.1809(6) 0.2177(7) 0.3301(6) 0.096(3) Uani 1 1 d . U . . .
C154 C 0.1388(6) 0.2306(7) 0.3199(6) 0.098(3) Uani 1 1 d . U . . .
H154 H 0.150535 0.271827 0.328360 0.117 Uiso 1 1 calc R U . . .
C155 C 0.0784(6) 0.1801(7) 0.2967(7) 0.102(3) Uani 1 1 d . U . . .
H155 H 0.050247 0.187073 0.286011 0.122 Uiso 1 1 calc R U . . .
C156 C 0.0609(6) 0.1239(7) 0.2897(7) 0.101(3) Uani 1 1 d . U . . .
C157 C 0.1033(6) 0.1141(7) 0.2989(7) 0.114(4) Uani 1 1 d . U . . .
H157 H 0.091817 0.072964 0.290357 0.137 Uiso 1 1 calc R U . . .
C158 C 0.1638(6) 0.1625(7) 0.3206(7) 0.109(3) Uani 1 1 d . U . . .
H158 H 0.191589 0.153814 0.327963 0.130 Uiso 1 1 calc R U . . .
C159 C -0.0025(6) 0.0747(7) 0.2699(7) 0.117(4) Uani 1 1 d . U . . .
H159 H -0.030249 0.083345 0.262085 0.140 Uiso 1 1 calc R U . . .
C160 C -0.0859(6) -0.0244(8) 0.2419(8) 0.138(5) Uani 1 1 d . U . . .
H16A H -0.104795 -0.005736 0.232457 0.166 Uiso 1 1 calc R U . . .
H16B H -0.099768 -0.035643 0.269214 0.166 Uiso 1 1 calc R U . . .
C161 C -0.1011(7) -0.0856(7) 0.1890(8) 0.121(4) Uani 1 1 d . U . . .
H16C H -0.071017 -0.093915 0.194658 0.145 Uiso 1 1 calc R U . . .
H16D H -0.139214 -0.122509 0.182329 0.145 Uiso 1 1 calc R U . . .
C162 C 0.0711(5) 0.2617(5) 0.0666(5) 0.071(2) Uani 1 1 d . U . . .
C163 C 0.0991(5) 0.2351(5) 0.0706(5) 0.071(2) Uani 1 1 d . U . . .
C164 C 0.1496(5) 0.2669(5) 0.0617(5) 0.070(2) Uani 1 1 d . U . . .
C165 C 0.0130(5) 0.2480(6) 0.0720(6) 0.093(3) Uani 1 1 d D U . . .
H165 H 0.003791 0.271953 0.058882 0.112 Uiso 1 1 calc R U . . .
C166 C 0.0199(8) 0.2739(8) 0.1303(7) 0.135(5) Uani 1 1 d D U . . .
H16E H 0.017098 0.244305 0.142018 0.202 Uiso 1 1 calc R U . . .
H16F H -0.010883 0.280588 0.136021 0.202 Uiso 1 1 calc R U . . .
H16G H 0.058046 0.313858 0.151160 0.202 Uiso 1 1 calc R U . . .
C167 C -0.0367(6) 0.1789(6) 0.0373(7) 0.130(5) Uani 1 1 d D U . . .
H16H H -0.031864 0.162032 0.002421 0.195 Uiso 1 1 calc R U . . .
H16I H -0.073979 0.174737 0.031668 0.195 Uiso 1 1 calc R U . . .
H16J H -0.036225 0.155749 0.055529 0.195 Uiso 1 1 calc R U . . .
C168 C 0.2037(5) 0.2604(6) 0.0671(5) 0.089(3) Uani 1 1 d D U . . .
H168 H 0.189010 0.219659 0.066491 0.107 Uiso 1 1 calc R U . . .
C169 C 0.2520(5) 0.3115(7) 0.1211(6) 0.126(5) Uani 1 1 d D U . . .
H16K H 0.284584 0.306924 0.123125 0.189 Uiso 1 1 calc R U . . .
H16L H 0.237113 0.307974 0.150297 0.189 Uiso 1 1 calc R U . . .
H16M H 0.265436 0.352654 0.124704 0.189 Uiso 1 1 calc R U . . .
C170 C 0.2209(8) 0.2556(8) 0.0186(7) 0.145(5) Uani 1 1 d D U . . .
H17C H 0.226784 0.290157 0.012979 0.217 Uiso 1 1 calc R U . . .
H17D H 0.190066 0.215634 -0.012876 0.217 Uiso 1 1 calc R U . . .
H17E H 0.257183 0.257766 0.023739 0.217 Uiso 1 1 calc R U . . .
C171 C 0.0807(5) 0.1843(5) 0.0890(5) 0.067(2) Uani 1 1 d . U . . .
C172 C 0.0438(5) 0.1207(5) 0.0510(5) 0.072(2) Uani 1 1 d . U . . .
H172 H 0.029798 0.108521 0.014069 0.087 Uiso 1 1 calc R U . . .
C173 C 0.0278(6) 0.0766(6) 0.0660(6) 0.094(3) Uani 1 1 d . U . . .
H173 H 0.000257 0.033959 0.039614 0.112 Uiso 1 1 calc R U . . .
C174 C 0.0502(6) 0.0908(6) 0.1197(6) 0.087(3) Uani 1 1 d . U . . .
C175 C 0.0882(5) 0.1558(6) 0.1601(6) 0.089(3) Uani 1 1 d . U . . .
H175 H 0.104068 0.167912 0.196597 0.106 Uiso 1 1 calc R U . . .
C176 C 0.1015(5) 0.2021(5) 0.1429(5) 0.076(3) Uani 1 1 d . U . . .
H176 H 0.124733 0.245245 0.168969 0.092 Uiso 1 1 calc R U . . .
C177 C 0.0341(6) 0.0446(6) 0.1384(6) 0.093(3) Uani 1 1 d . U . . .
H177 H 0.047698 0.057073 0.175364 0.111 Uiso 1 1 calc R U . . .
C178 C -0.0139(6) -0.0606(6) 0.1211(7) 0.105(3) Uani 1 1 d . U . . .
H17F H 0.005139 -0.037960 0.160615 0.126 Uiso 1 1 calc R U . . .
H17G H 0.001650 -0.085515 0.104522 0.126 Uiso 1 1 calc R U . . .
C179 C -0.0790(6) -0.1039(6) 0.1069(8) 0.118(4) Uani 1 1 d . U . . .
H17H H -0.098604 -0.117360 0.069303 0.141 Uiso 1 1 calc R U . . .
H17I H -0.087775 -0.141751 0.108733 0.141 Uiso 1 1 calc R U . . .
C180 C 0.3424(4) 0.4824(5) 0.0627(4) 0.0538(17) Uani 1 1 d . U . . .
C181 C 0.3722(3) 0.5408(5) 0.0631(4) 0.0530(17) Uani 1 1 d . U . . .
C182 C 0.3284(4) 0.5476(4) 0.0452(4) 0.0527(17) Uani 1 1 d . U . . .
C183 C 0.3339(4) 0.6004(5) 0.0369(4) 0.063(2) Uani 1 1 d . U . . .
H183 H 0.293431 0.587906 0.021956 0.076 Uiso 1 1 calc R U . . .
C184 C 0.3640(6) 0.6618(6) 0.0891(5) 0.092(3) Uani 1 1 d . U . . .
H18C H 0.406097 0.680864 0.100567 0.139 Uiso 1 1 calc R U . . .
H18D H 0.348950 0.653917 0.116948 0.139 Uiso 1 1 calc R U . . .
H18E H 0.356529 0.690240 0.083504 0.139 Uiso 1 1 calc R U . . .
C185 C 0.3635(5) 0.6109(6) -0.0030(5) 0.086(3) Uani 1 1 d . U . . .
H18F H 0.363101 0.643183 -0.008439 0.129 Uiso 1 1 calc R U . . .
H18G H 0.342849 0.571765 -0.037388 0.129 Uiso 1 1 calc R U . . .
H18H H 0.403888 0.624521 0.010628 0.129 Uiso 1 1 calc R U . . .
C186 C 0.4382(4) 0.5847(5) 0.0782(4) 0.057(2) Uani 1 1 d . U . . .
C187 C 0.4672(4) 0.5806(5) 0.0398(4) 0.068(2) Uani 1 1 d . U . . .
H187 H 0.445975 0.550272 0.002898 0.081 Uiso 1 1 calc R U . . .
C188 C 0.5258(4) 0.6207(5) 0.0572(4) 0.067(2) Uani 1 1 d . U . . .
H188 H 0.544650 0.618553 0.031065 0.081 Uiso 1 1 calc R U . . .
C189 C 0.5599(4) 0.6644(5) 0.1102(5) 0.066(2) Uani 1 1 d . U . . .
C190 C 0.5337(4) 0.6684(5) 0.1467(5) 0.070(2) Uani 1 1 d . U . . .
H190 H 0.556747 0.697228 0.183562 0.084 Uiso 1 1 calc R U . . .
C191 C 0.4711(4) 0.6300(5) 0.1319(4) 0.069(2) Uani 1 1 d . U . . .
H191 H 0.452846 0.635607 0.158129 0.083 Uiso 1 1 calc R U . . .
C192 C 0.6238(4) 0.7091(5) 0.1258(5) 0.072(2) Uani 1 1 d . U . . .
H192 H 0.645717 0.739071 0.162707 0.087 Uiso 1 1 calc R U . . .
C193 C 0.7174(5) 0.7556(6) 0.1159(6) 0.092(3) Uani 1 1 d . U . . .
H19A H 0.730170 0.785397 0.101731 0.111 Uiso 1 1 calc R U . . .
H19B H 0.730595 0.779772 0.155676 0.111 Uiso 1 1 calc R U . . .
C194 C 0.7432(5) 0.7173(6) 0.0989(6) 0.082(2) Uani 1 1 d . U . . .
H19C H 0.719049 0.682070 0.061851 0.098 Uiso 1 1 calc R U . . .
H19D H 0.782969 0.743960 0.099060 0.098 Uiso 1 1 calc R U . . .
C195 C 0.3649(4) 0.4507(6) 0.0796(5) 0.072(2) Uani 1 1 d . U . . .
H195 H 0.330321 0.406743 0.064886 0.086 Uiso 1 1 calc R U . . .
C196 C 0.4106(5) 0.4443(7) 0.0556(6) 0.095(4) Uani 1 1 d . U . . .
H19E H 0.422328 0.422998 0.069170 0.142 Uiso 1 1 calc R U . . .
H19F H 0.393482 0.419836 0.016219 0.142 Uiso 1 1 calc R U . . .
H19G H 0.444779 0.485989 0.066205 0.142 Uiso 1 1 calc R U . . .
C197 C 0.3830(5) 0.4799(6) 0.1429(5) 0.090(3) Uani 1 1 d . U . . .
H19H H 0.378096 0.448205 0.152623 0.135 Uiso 1 1 calc R U . . .
H19I H 0.358275 0.493775 0.155620 0.135 Uiso 1 1 calc R U . . .
H19J H 0.423867 0.515691 0.159596 0.135 Uiso 1 1 calc R U . . .
C198 C 0.1189(4) 0.5364(5) 0.0609(4) 0.0593(18) Uani 1 1 d . U . . .
C199 C 0.0706(4) 0.5200(5) 0.0786(4) 0.0574(17) Uani 1 1 d . U . . .
C200 C 0.0545(4) 0.4636(5) 0.0782(4) 0.0620(18) Uani 1 1 d . U . . .
C201 C 0.1562(4) 0.5936(5) 0.0554(5) 0.074(2) Uani 1 1 d . U . . .
H201 H 0.135641 0.615168 0.062734 0.089 Uiso 1 1 calc R U . . .
C202 C 0.1517(6) 0.5746(6) -0.0035(6) 0.098(4) Uani 1 1 d . U . . .
H20A H 0.169220 0.551043 -0.014798 0.146 Uiso 1 1 calc R U . . .
H20B H 0.172343 0.612184 -0.007280 0.146 Uiso 1 1 calc R U . . .
H20C H 0.110596 0.548331 -0.026059 0.146 Uiso 1 1 calc R U . . .
C203 C 0.2151(6) 0.6407(6) 0.0999(7) 0.118(5) Uani 1 1 d . U . . .
H20D H 0.209569 0.651996 0.134931 0.176 Uiso 1 1 calc R U . . .
H20E H 0.236364 0.678291 0.096122 0.176 Uiso 1 1 calc R U . . .
H20F H 0.237507 0.622201 0.097228 0.176 Uiso 1 1 calc R U . . .
C204 C -0.0008(5) 0.4206(6) 0.0885(6) 0.087(3) Uani 1 1 d . U . . .
H204 H -0.021909 0.441457 0.096871 0.104 Uiso 1 1 calc R U . . .
C205 C -0.0421(5) 0.3573(7) 0.0410(6) 0.104(4) Uani 1 1 d . U . . .
H20G H -0.021290 0.337977 0.028292 0.156 Uiso 1 1 calc R U . . .
H20H H -0.059232 0.361010 0.012240 0.156 Uiso 1 1 calc R U . . .
H20I H -0.073146 0.331279 0.051326 0.156 Uiso 1 1 calc R U . . .
C206 C 0.0198(6) 0.4176(7) 0.1416(6) 0.107(4) Uani 1 1 d . U . . .
H20J H -0.013649 0.398780 0.152942 0.160 Uiso 1 1 calc R U . . .
H20K H 0.049858 0.460071 0.170713 0.160 Uiso 1 1 calc R U . . .
H20L H 0.035753 0.392203 0.133193 0.160 Uiso 1 1 calc R U . . .
C207 C 0.0405(4) 0.5526(5) 0.0930(4) 0.0574(18) Uani 1 1 d . U . . .
C208 C 0.0288(4) 0.5668(5) 0.1421(4) 0.065(2) Uani 1 1 d . U . . .
H208 H 0.042178 0.557696 0.167146 0.078 Uiso 1 1 calc R U . . .
C209 C -0.0020(4) 0.5939(5) 0.1539(5) 0.067(2) Uani 1 1 d . U . . .
H209 H -0.008585 0.604529 0.187347 0.081 Uiso 1 1 calc R U . . .
C210 C -0.0240(4) 0.6059(5) 0.1148(4) 0.0612(19) Uani 1 1 d . U . . .
C211 C -0.0101(4) 0.5936(5) 0.0684(4) 0.063(2) Uani 1 1 d . U . . .
H211 H -0.022176 0.603883 0.043744 0.076 Uiso 1 1 calc R U . . .
C212 C 0.0219(4) 0.5659(5) 0.0558(4) 0.0591(19) Uani 1 1 d . U . . .
H212 H 0.030110 0.556896 0.023134 0.071 Uiso 1 1 calc R U . . .
C213 C -0.0569(4) 0.6340(5) 0.1279(5) 0.072(2) Uani 1 1 d . U . . .
H213 H -0.060511 0.647722 0.162548 0.086 Uiso 1 1 calc R U . . .
C214 C -0.1123(5) 0.6688(6) 0.1068(6) 0.085(3) Uani 1 1 d . U . . .
H21A H -0.105837 0.686109 0.145921 0.102 Uiso 1 1 calc R U . . .
H21B H -0.154591 0.637504 0.087049 0.102 Uiso 1 1 calc R U . . .
C215 C -0.0890(5) 0.7223(6) 0.0920(6) 0.089(3) Uani 1 1 d . U . . .
H21C H -0.087271 0.706899 0.055092 0.107 Uiso 1 1 calc R U . . .
H21D H -0.115527 0.736259 0.093059 0.107 Uiso 1 1 calc R U . . .
C216 C -0.1033(6) 0.0540(6) 0.1470(6) 0.095(3) Uani 1 1 d . U . . .
H216 H -0.076038 0.054754 0.129159 0.114 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.3595(7) 2_676 ?
Au1 Au2 3.3731(7) . ?
Au1 Au3 3.3327(7) . ?
Au1 N1 1.983(10) . ?
Au1 N6 1.986(11) . ?
Au2 Au3 3.3398(8) . ?
Au2 N2 2.019(9) . ?
Au2 N3 2.019(9) . ?
Au3 N4 2.019(9) . ?
Au3 N5 1.971(11) . ?
Au4 Au5 3.3458(7) . ?
Au4 Au5 3.2682(6) 2_566 ?
Au4 Au6 3.3620(6) . ?
Au4 N7 1.995(10) . ?
Au4 N12 1.994(10) . ?
Au5 Au6 3.3377(7) . ?
Au5 N8 1.970(10) . ?
Au5 N9 2.014(10) . ?
Au6 N10 2.012(9) . ?
Au6 N11 1.945(9) . ?
Au7 Au8 3.3258(7) . ?
Au7 Au9 3.3474(7) . ?
Au7 N13 1.973(11) . ?
Au7 N18 1.993(11) . ?
Au8 Au9 3.3635(8) . ?
Au8 N14 1.993(10) . ?
Au8 N15 1.982(11) . ?
Au9 N16 1.993(9) . ?
Au9 N17 1.955(10) . ?
Au10 Au11 3.2979(5) . ?
Au10 Au12 3.3428(5) . ?
Au10 N19 2.001(7) . ?
Au10 N24 2.010(7) . ?
Au11 Au12 3.3587(5) . ?
Au11 N20 2.022(7) . ?
Au11 N21 1.993(7) . ?
Au12 N22 2.010(7) . ?
Au12 N23 2.007(7) . ?
N1 N2 1.358(13) . ?
N1 C1 1.356(14) . ?
N2 C3 1.354(14) . ?
N3 N4 1.344(13) . ?
N3 C19 1.374(13) . ?
N4 C21 1.350(14) . ?
N5 N6 1.369(13) . ?
N5 C37 1.396(16) . ?
N6 C39 1.293(15) . ?
N7 N8 1.414(13) . ?
N7 C55 1.322(13) . ?
N8 C57 1.380(15) . ?
N9 N10 1.358(13) . ?
N9 C73 1.351(15) . ?
N10 C75 1.367(12) . ?
N11 N12 1.404(12) . ?
N11 C91 1.363(14) . ?
N12 C93 1.392(15) . ?
N13 N14 1.420(13) . ?
N13 C108 1.369(15) . ?
N14 C110 1.312(15) . ?
N15 N16 1.328(13) . ?
N15 C126 1.395(14) . ?
N16 C128 1.376(15) . ?
N17 N18 1.379(15) . ?
N17 C144 1.326(16) . ?
N18 C146 1.367(15) . ?
N19 N20 1.372(10) . ?
N19 C162 1.336(11) . ?
N20 C164 1.252(12) . ?
N21 N22 1.366(10) . ?
N21 C180 1.337(10) . ?
N22 C182 1.338(11) . ?
N23 N24 1.366(9) . ?
N23 C198 1.360(12) . ?
N24 C200 1.317(11) . ?
N25 C16 1.255(18) . ?
N25 C17 1.453(19) . ?
N26 C70 1.240(19) . ?
N26 C71 1.483(18) . ?
N27 C123 1.27(2) . ?
N27 C124 1.48(2) . ?
N28 C18 1.47(2) . ?
N28 C72 1.49(2) . ?
N28 C125 1.59(2) . ?
N29 C34 1.258(15) . ?
N29 C35 1.450(15) . ?
N30 C141 1.282(13) . ?
N30 C142 1.397(13) . ?
N31 C192 1.232(15) . ?
N31 C193 1.540(13) . ?
N32 C36 1.498(15) . ?
N32 C143 1.495(14) . ?
N32 C194 1.380(14) . ?
N33 C52 1.253(15) . ?
N33 C53 1.504(15) . ?
N34 C88 1.268(15) . ?
N34 C89 1.421(15) . ?
N35 C213 1.261(14) . ?
N35 C214 1.445(13) . ?
N36 C54 1.417(14) . ?
N36 C90 1.438(15) . ?
N36 C215 1.529(15) . ?
N37 C106 1.433(19) . ?
N37 C216 1.198(15) . ?
N38 C159 1.226(18) . ?
N38 C160 1.533(18) . ?
N39 C177 1.292(16) . ?
N39 C178 1.482(15) . ?
N40 C107 1.468(19) . ?
N40 C161 1.46(2) . ?
N40 C179 1.453(19) . ?
C1 C2 1.422(17) . ?
C1 C4 1.490(13) . ?
C2 C3 1.431(16) . ?
C2 C10 1.527(17) . ?
C3 C7 1.442(13) . ?
C4 H4 0.9900 . ?
C4 C5 1.566(18) . ?
C4 C6 1.452(17) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7 0.9900 . ?
C7 C8 1.467(12) . ?
C7 C9 1.518(11) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 C11 1.376(17) . ?
C10 C15 1.335(16) . ?
C11 H11 0.9400 . ?
C11 C12 1.307(18) . ?
C12 H12 0.9400 . ?
C12 C13 1.368(18) . ?
C13 C14 1.295(18) . ?
C13 C16 1.489(18) . ?
C14 H14 0.9400 . ?
C14 C15 1.398(17) . ?
C15 H15 0.9400 . ?
C16 H16 0.9400 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 C18 1.49(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C19 C20 1.437(16) . ?
C19 C22 1.446(17) . ?
C20 C21 1.373(17) . ?
C20 C28 1.448(15) . ?
C21 C25 1.492(19) . ?
C22 H22 0.9900 . ?
C22 C23 1.494(19) . ?
C22 C24 1.55(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C25 H25 0.9900 . ?
C25 C26 1.52(2) . ?
C25 C27 1.451(19) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C28 C29 1.469(17) . ?
C28 C33 1.333(16) . ?
C29 H29 0.9400 . ?
C29 C30 1.318(16) . ?
C30 H30 0.9400 . ?
C30 C31 1.452(18) . ?
C31 C32 1.352(16) . ?
C31 C34 1.444(16) . ?
C32 H32 0.9400 . ?
C32 C33 1.379(15) . ?
C33 H33 0.9400 . ?
C34 H34 0.9400 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 C36 1.414(18) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C37 C38 1.340(16) . ?
C37 C40 1.553(19) . ?
C38 C39 1.400(17) . ?
C38 C46 1.524(13) . ?
C39 C43 1.498(19) . ?
C40 H40 0.9900 . ?
C40 C41 1.52(2) . ?
C40 C42 1.50(2) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 H41C 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 H42C 0.9700 . ?
C43 H43 0.9900 . ?
C43 C44 1.54(2) . ?
C43 C45 1.53(2) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 H44C 0.9700 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 H45C 0.9700 . ?
C46 C47 1.355(16) . ?
C46 C51 1.330(15) . ?
C47 H47 0.9400 . ?
C47 C48 1.336(17) . ?
C48 H48 0.9400 . ?
C48 C49 1.431(16) . ?
C49 C50 1.350(16) . ?
C49 C52 1.464(16) . ?
C50 H50 0.9400 . ?
C50 C51 1.459(16) . ?
C51 H51 0.9400 . ?
C52 H52 0.9400 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 C54 1.535(16) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C55 C56 1.398(17) . ?
C55 C58 1.527(17) . ?
C56 C57 1.321(16) . ?
C56 C64 1.524(16) . ?
C57 C61 1.438(19) . ?
C58 H58 0.9900 . ?
C58 C59 1.491(18) . ?
C58 C60 1.454(17) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 H59C 0.9700 . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C60 H60C 0.9700 . ?
C61 H61 0.9900 . ?
C61 C62 1.52(2) . ?
C61 C63 1.38(2) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C62 H62C 0.9700 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 H63C 0.9700 . ?
C64 C65 1.342(14) . ?
C64 C69 1.433(17) . ?
C65 H65 0.9400 . ?
C65 C66 1.391(16) . ?
C66 H66 0.9400 . ?
C66 C67 1.384(18) . ?
C67 C68 1.384(17) . ?
C67 C70 1.440(17) . ?
C68 H68 0.9400 . ?
C68 C69 1.362(16) . ?
C69 H69 0.9400 . ?
C70 H70 0.9400 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 C72 1.46(2) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C73 C74 1.400(16) . ?
C73 C76 1.59(2) . ?
C74 C75 1.443(16) . ?
C74 C82 1.446(14) . ?
C75 C79 1.423(17) . ?
C76 H76 0.9900 . ?
C76 C77 1.45(2) . ?
C76 C78 1.55(2) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C77 H77C 0.9700 . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C78 H78C 0.9700 . ?
C79 H79 0.9900 . ?
C79 C80 1.476(18) . ?
C79 C81 1.484(18) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C80 H80C 0.9700 . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C81 H81C 0.9700 . ?
C82 C83 1.378(15) . ?
C82 C87 1.386(15) . ?
C83 H83 0.9400 . ?
C83 C84 1.377(16) . ?
C84 H84 0.9400 . ?
C84 C85 1.316(17) . ?
C85 C86 1.423(17) . ?
C85 C88 1.460(16) . ?
C86 H86 0.9400 . ?
C86 C87 1.363(15) . ?
C87 H87 0.9400 . ?
C88 H88 0.9400 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 C90 1.529(17) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C91 C92 1.377(15) . ?
C91 C94 1.513(15) . ?
C92 C93 1.422(17) . ?
C92 C100 1.463(17) . ?
C93 C97 1.459(17) . ?
C94 H94 0.9900 . ?
C94 C95 1.483(18) . ?
C94 C96 1.462(16) . ?
C95 H95A 0.9700 . ?
C95 H95B 0.9700 . ?
C95 H95C 0.9700 . ?
C96 H96A 0.9700 . ?
C96 H96B 0.9700 . ?
C96 H96C 0.9700 . ?
C97 H97 0.9900 . ?
C97 C98 1.50(2) . ?
C97 C99 1.55(2) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C98 H98C 0.9700 . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C99 H99C 0.9700 . ?
C100 C101 1.334(16) . ?
C100 C105 1.391(16) . ?
C101 H101 0.9400 . ?
C101 C102 1.379(17) . ?
C102 H102 0.9400 . ?
C102 C103 1.443(17) . ?
C103 C104 1.424(16) . ?
C103 C216 1.419(18) . ?
C104 H104 0.9400 . ?
C104 C105 1.445(16) . ?
C105 H105 0.9400 . ?
C106 H10A 0.9800 . ?
C106 H10B 0.9800 . ?
C106 C107 1.59(2) . ?
C107 H10C 0.9800 . ?
C107 H10D 0.9800 . ?
C108 C109 1.454(17) . ?
C108 C111 1.527(17) . ?
C109 C110 1.389(17) . ?
C109 C117 1.427(17) . ?
C110 C114 1.476(18) . ?
C111 H111 0.9900 . ?
C111 C112 1.559(19) . ?
C111 C113 1.371(18) . ?
C112 H11A 0.9700 . ?
C112 H11B 0.9700 . ?
C112 H11C 0.9700 . ?
C113 H11D 0.9700 . ?
C113 H11E 0.9700 . ?
C113 H11F 0.9700 . ?
C114 H114 0.9900 . ?
C114 C115 1.599(19) . ?
C114 C116 1.52(2) . ?
C115 H11G 0.9700 . ?
C115 H11H 0.9700 . ?
C115 H11I 0.9700 . ?
C116 H11J 0.9700 . ?
C116 H11K 0.9700 . ?
C116 H11L 0.9700 . ?
C117 C118 1.355(17) . ?
C117 C122 1.416(18) . ?
C118 H118 0.9400 . ?
C118 C119 1.407(18) . ?
C119 H119 0.9400 . ?
C119 C120 1.403(19) . ?
C120 C121 1.487(19) . ?
C120 C123 1.503(19) . ?
C121 H121 0.9400 . ?
C121 C122 1.299(18) . ?
C122 H122 0.9400 . ?
C123 H123 0.9400 . ?
C124 H12A 0.9800 . ?
C124 H12B 0.9800 . ?
C124 C125 1.42(2) . ?
C125 H12C 0.9800 . ?
C125 H12D 0.9800 . ?
C126 C127 1.308(17) . ?
C126 C129 1.43(2) . ?
C127 C128 1.439(17) . ?
C127 C135 1.522(15) . ?
C128 C132 1.538(18) . ?
C129 H129 0.9900 . ?
C129 C130 1.46(2) . ?
C129 C131 1.58(2) . ?
C130 H13A 0.9700 . ?
C130 H13B 0.9700 . ?
C130 H13C 0.9700 . ?
C131 H13D 0.9700 . ?
C131 H13E 0.9700 . ?
C131 H13F 0.9700 . ?
C132 H132 0.9900 . ?
C132 C133 1.540(18) . ?
C132 C134 1.486(17) . ?
C133 H13G 0.9700 . ?
C133 H13H 0.9700 . ?
C133 H13I 0.9700 . ?
C134 H13J 0.9700 . ?
C134 H13K 0.9700 . ?
C134 H13L 0.9700 . ?
C135 C136 1.402(15) . ?
C135 C140 1.367(15) . ?
C136 H136 0.9400 . ?
C136 C137 1.432(16) . ?
C137 H137 0.9400 . ?
C137 C138 1.377(15) . ?
C138 C139 1.365(15) . ?
C138 C141 1.425(14) . ?
C139 H139 0.9400 . ?
C139 C140 1.420(16) . ?
C140 H140 0.9400 . ?
C141 H141 0.9400 . ?
C142 H14A 0.9800 . ?
C142 H14B 0.9800 . ?
C142 C143 1.527(14) . ?
C143 H14C 0.9800 . ?
C143 H14D 0.9800 . ?
C144 C145 1.416(17) . ?
C144 C147 1.55(2) . ?
C145 C146 1.348(19) . ?
C145 C153 1.535(18) . ?
C146 C150 1.60(2) . ?
C147 H147 0.9900 . ?
C147 C148 1.47(2) . ?
C147 C149 1.55(2) . ?
C148 H14E 0.9700 . ?
C148 H14F 0.9700 . ?
C148 H14G 0.9700 . ?
C149 H14H 0.9700 . ?
C149 H14I 0.9700 . ?
C149 H14J 0.9700 . ?
C150 H150 0.9900 . ?
C150 C151 1.518(15) . ?
C150 C152 1.472(15) . ?
C151 H15A 0.9700 . ?
C151 H15B 0.9700 . ?
C151 H15C 0.9700 . ?
C152 H15D 0.9700 . ?
C152 H15E 0.9700 . ?
C152 H15F 0.9700 . ?
C153 C154 1.415(17) . ?
C153 C158 1.263(18) . ?
C154 H154 0.9400 . ?
C154 C155 1.417(17) . ?
C155 H155 0.9400 . ?
C155 C156 1.311(18) . ?
C156 C157 1.353(18) . ?
C156 C159 1.472(18) . ?
C157 H157 0.9400 . ?
C157 C158 1.408(18) . ?
C158 H158 0.9400 . ?
C159 H159 0.9400 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 C161 1.60(2) . ?
C161 H16C 0.9800 . ?
C161 H16D 0.9800 . ?
C162 C163 1.328(14) . ?
C162 C165 1.497(15) . ?
C163 C164 1.348(14) . ?
C163 C171 1.557(13) . ?
C164 C168 1.593(14) . ?
C165 H165 0.9900 . ?
C165 C166 1.475(14) . ?
C165 C167 1.512(14) . ?
C166 H16E 0.9700 . ?
C166 H16F 0.9700 . ?
C166 H16G 0.9700 . ?
C167 H16H 0.9700 . ?
C167 H16I 0.9700 . ?
C167 H16J 0.9700 . ?
C168 H168 0.9900 . ?
C168 C169 1.507(11) . ?
C168 C170 1.469(12) . ?
C169 H16K 0.9700 . ?
C169 H16L 0.9700 . ?
C169 H16M 0.9700 . ?
C170 H17C 0.9700 . ?
C170 H17D 0.9700 . ?
C170 H17E 0.9700 . ?
C171 C172 1.383(15) . ?
C171 C176 1.376(15) . ?
C172 H172 0.9400 . ?
C172 C173 1.336(15) . ?
C173 H173 0.9400 . ?
C173 C174 1.407(18) . ?
C174 C175 1.424(17) . ?
C174 C177 1.456(15) . ?
C175 H175 0.9400 . ?
C175 C176 1.438(14) . ?
C176 H176 0.9400 . ?
C177 H177 0.9400 . ?
C178 H17F 0.9800 . ?
C178 H17G 0.9800 . ?
C178 C179 1.498(18) . ?
C179 H17H 0.9800 . ?
C179 H17I 0.9800 . ?
C180 C181 1.408(13) . ?
C180 C195 1.482(13) . ?
C181 C182 1.397(12) . ?
C181 C186 1.516(11) . ?
C182 C183 1.508(13) . ?
C183 H183 0.9900 . ?
C183 C184 1.502(15) . ?
C183 C185 1.485(14) . ?
C184 H18C 0.9700 . ?
C184 H18D 0.9700 . ?
C184 H18E 0.9700 . ?
C185 H18F 0.9700 . ?
C185 H18G 0.9700 . ?
C185 H18H 0.9700 . ?
C186 C187 1.407(13) . ?
C186 C191 1.378(14) . ?
C187 H187 0.9400 . ?
C187 C188 1.337(13) . ?
C188 H188 0.9400 . ?
C188 C189 1.363(15) . ?
C189 C190 1.311(14) . ?
C189 C192 1.473(13) . ?
C190 H190 0.9400 . ?
C190 C191 1.428(13) . ?
C191 H191 0.9400 . ?
C192 H192 0.9400 . ?
C193 H19A 0.9800 . ?
C193 H19B 0.9800 . ?
C193 C194 1.509(16) . ?
C194 H19C 0.9800 . ?
C194 H19D 0.9800 . ?
C195 H195 0.9900 . ?
C195 C196 1.537(15) . ?
C195 C197 1.566(16) . ?
C196 H19E 0.9700 . ?
C196 H19F 0.9700 . ?
C196 H19G 0.9700 . ?
C197 H19H 0.9700 . ?
C197 H19I 0.9700 . ?
C197 H19J 0.9700 . ?
C198 C199 1.392(12) . ?
C198 C201 1.492(13) . ?
C199 C200 1.399(13) . ?
C199 C207 1.479(12) . ?
C200 C204 1.551(13) . ?
C201 H201 0.9900 . ?
C201 C202 1.513(17) . ?
C201 C203 1.502(16) . ?
C202 H20A 0.9700 . ?
C202 H20B 0.9700 . ?
C202 H20C 0.9700 . ?
C203 H20D 0.9700 . ?
C203 H20E 0.9700 . ?
C203 H20F 0.9700 . ?
C204 H204 0.9900 . ?
C204 C205 1.472(18) . ?
C204 C206 1.606(18) . ?
C205 H20G 0.9700 . ?
C205 H20H 0.9700 . ?
C205 H20I 0.9700 . ?
C206 H20J 0.9700 . ?
C206 H20K 0.9700 . ?
C206 H20L 0.9700 . ?
C207 C208 1.404(14) . ?
C207 C212 1.378(13) . ?
C208 H208 0.9400 . ?
C208 C209 1.372(13) . ?
C209 H209 0.9400 . ?
C209 C210 1.438(14) . ?
C210 C211 1.363(14) . ?
C210 C213 1.450(13) . ?
C211 H211 0.9400 . ?
C211 C212 1.417(13) . ?
C212 H212 0.9400 . ?
C213 H213 0.9400 . ?
C214 H21A 0.9800 . ?
C214 H21B 0.9800 . ?
C214 C215 1.544(17) . ?
C215 H21C 0.9800 . ?
C215 H21D 0.9800 . ?
C216 H216 0.9400 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au2 101.691(17) 2_676 . ?
Au3 Au1 Au2 106.540(18) . 2_676 ?
Au3 Au1 Au2 59.738(15) . . ?
N1 Au1 Au2 87.9(3) . 2_676 ?
N1 Au1 Au2 60.1(3) . . ?
N1 Au1 Au3 119.8(3) . . ?
N1 Au1 N6 174.0(4) . . ?
N6 Au1 Au2 97.7(3) . 2_676 ?
N6 Au1 Au2 120.6(3) . . ?
N6 Au1 Au3 60.9(3) . . ?
Au1 Au2 Au1 78.308(17) 2_676 . ?
Au3 Au2 Au1 59.530(15) . . ?
Au3 Au2 Au1 94.554(19) . 2_676 ?
N2 Au2 Au1 79.2(2) . 2_676 ?
N2 Au2 Au1 59.3(3) . . ?
N2 Au2 Au3 118.5(3) . . ?
N3 Au2 Au1 107.3(3) . 2_676 ?
N3 Au2 Au1 120.3(3) . . ?
N3 Au2 Au3 60.8(3) . . ?
N3 Au2 N2 173.4(4) . . ?
Au1 Au3 Au2 60.732(15) . . ?
N4 Au3 Au1 120.5(3) . . ?
N4 Au3 Au2 59.9(3) . . ?
N5 Au3 Au1 59.4(3) . . ?
N5 Au3 Au2 120.1(3) . . ?
N5 Au3 N4 176.6(4) . . ?
Au5 Au4 Au5 107.246(17) 2_566 . ?
Au5 Au4 Au6 59.680(14) . . ?
Au5 Au4 Au6 105.806(16) 2_566 . ?
N7 Au4 Au5 94.7(2) . 2_566 ?
N7 Au4 Au5 60.6(3) . . ?
N7 Au4 Au6 120.1(3) . . ?
N12 Au4 Au5 92.3(2) . 2_566 ?
N12 Au4 Au5 119.7(3) . . ?
N12 Au4 Au6 60.1(3) . . ?
N12 Au4 N7 172.5(3) . . ?
Au4 Au5 Au4 72.753(17) 2_566 . ?
Au4 Au5 Au6 88.693(17) 2_566 . ?
Au6 Au5 Au4 60.401(15) . . ?
N8 Au5 Au4 61.1(3) . . ?
N8 Au5 Au4 79.7(2) . 2_566 ?
N8 Au5 Au6 121.2(3) . . ?
N8 Au5 N9 173.4(4) . . ?
N9 Au5 Au4 121.5(3) . . ?
N9 Au5 Au4 106.7(3) . 2_566 ?
N9 Au5 Au6 61.1(3) . . ?
Au5 Au6 Au4 59.919(14) . . ?
N10 Au6 Au4 119.8(3) . . ?
N10 Au6 Au5 59.9(3) . . ?
N11 Au6 Au4 60.2(3) . . ?
N11 Au6 Au5 120.1(3) . . ?
N11 Au6 N10 175.3(3) . . ?
Au8 Au7 Au9 60.534(16) . . ?
N13 Au7 Au8 61.0(3) . . ?
N13 Au7 Au9 121.4(3) . . ?
N13 Au7 N18 174.1(4) . . ?
N18 Au7 Au8 119.9(3) . . ?
N18 Au7 Au9 59.5(3) . . ?
Au7 Au8 Au9 60.050(16) . . ?
N14 Au8 Au7 61.5(3) . . ?
N14 Au8 Au9 121.5(3) . . ?
N15 Au8 Au7 118.7(3) . . ?
N15 Au8 Au9 58.8(3) . . ?
N15 Au8 N14 173.1(4) . . ?
Au7 Au9 Au8 59.416(15) . . ?
N16 Au9 Au7 118.9(3) . . ?
N16 Au9 Au8 59.5(3) . . ?
N17 Au9 Au7 60.7(4) . . ?
N17 Au9 Au8 119.9(4) . . ?
N17 Au9 N16 174.4(4) . . ?
Au11 Au10 Au12 60.760(11) . . ?
N19 Au10 Au11 60.9(2) . . ?
N19 Au10 Au12 121.4(2) . . ?
N19 Au10 N24 177.1(3) . . ?
N24 Au10 Au11 120.75(19) . . ?
N24 Au10 Au12 60.53(19) . . ?
Au10 Au11 Au12 60.281(11) . . ?
N20 Au11 Au10 61.8(2) . . ?
N20 Au11 Au12 122.0(2) . . ?
N21 Au11 Au10 119.3(2) . . ?
N21 Au11 Au12 59.5(2) . . ?
N21 Au11 N20 175.7(3) . . ?
Au10 Au12 Au11 58.959(11) . . ?
N22 Au12 Au10 119.3(2) . . ?
N22 Au12 Au11 60.3(2) . . ?
N23 Au12 Au10 60.4(2) . . ?
N23 Au12 Au11 119.2(2) . . ?
N23 Au12 N22 174.3(3) . . ?
N2 N1 Au1 120.3(7) . . ?
N2 N1 C1 109.3(10) . . ?
C1 N1 Au1 127.7(9) . . ?
N1 N2 Au2 119.7(7) . . ?
C3 N2 Au2 128.9(8) . . ?
C3 N2 N1 110.9(9) . . ?
N4 N3 Au2 118.4(7) . . ?
N4 N3 C19 110.0(9) . . ?
C19 N3 Au2 129.7(8) . . ?
N3 N4 Au3 120.6(7) . . ?
N3 N4 C21 108.9(10) . . ?
C21 N4 Au3 129.7(9) . . ?
N6 N5 Au3 122.0(9) . . ?
N6 N5 C37 106.1(10) . . ?
C37 N5 Au3 129.7(8) . . ?
N5 N6 Au1 117.2(8) . . ?
C39 N6 Au1 133.1(9) . . ?
C39 N6 N5 109.2(11) . . ?
N8 N7 Au4 118.8(7) . . ?
C55 N7 Au4 130.1(9) . . ?
C55 N7 N8 109.1(10) . . ?
N7 N8 Au5 119.4(8) . . ?
C57 N8 Au5 134.3(9) . . ?
C57 N8 N7 104.8(9) . . ?
N10 N9 Au5 117.8(7) . . ?
C73 N9 Au5 131.1(9) . . ?
C73 N9 N10 108.9(10) . . ?
N9 N10 Au6 121.0(6) . . ?
N9 N10 C75 109.2(9) . . ?
C75 N10 Au6 128.3(8) . . ?
N12 N11 Au6 121.4(7) . . ?
C91 N11 Au6 130.6(7) . . ?
C91 N11 N12 105.5(8) . . ?
N11 N12 Au4 118.2(7) . . ?
C93 N12 Au4 130.2(8) . . ?
C93 N12 N11 109.8(10) . . ?
N14 N13 Au7 120.1(7) . . ?
C108 N13 Au7 132.3(8) . . ?
C108 N13 N14 105.9(10) . . ?
N13 N14 Au8 117.4(8) . . ?
C110 N14 Au8 131.7(9) . . ?
C110 N14 N13 109.1(10) . . ?
N16 N15 Au8 121.9(8) . . ?
N16 N15 C126 107.6(11) . . ?
C126 N15 Au8 130.2(9) . . ?
N15 N16 Au9 119.5(8) . . ?
N15 N16 C128 110.9(10) . . ?
C128 N16 Au9 127.3(9) . . ?
N18 N17 Au9 119.7(9) . . ?
C144 N17 Au9 132.6(10) . . ?
C144 N17 N18 106.7(10) . . ?
N17 N18 Au7 120.0(8) . . ?
C146 N18 Au7 130.1(10) . . ?
C146 N18 N17 108.2(11) . . ?
N20 N19 Au10 120.4(6) . . ?
C162 N19 Au10 130.8(7) . . ?
C162 N19 N20 106.3(7) . . ?
N19 N20 Au11 116.6(5) . . ?
C164 N20 Au11 135.9(7) . . ?
C164 N20 N19 107.3(8) . . ?
N22 N21 Au11 120.9(5) . . ?
C180 N21 Au11 130.1(6) . . ?
C180 N21 N22 108.8(7) . . ?
N21 N22 Au12 117.7(5) . . ?
C182 N22 Au12 128.6(6) . . ?
C182 N22 N21 109.2(7) . . ?
N24 N23 Au12 119.6(5) . . ?
C198 N23 Au12 130.7(6) . . ?
C198 N23 N24 108.3(7) . . ?
N23 N24 Au10 119.1(5) . . ?
C200 N24 Au10 132.2(6) . . ?
C200 N24 N23 108.5(7) . . ?
C16 N25 C17 118.0(15) . . ?
C70 N26 C71 116.0(15) . . ?
C123 N27 C124 113.8(18) . . ?
C18 N28 C72 120.1(16) . . ?
C18 N28 C125 114.9(15) . . ?
C72 N28 C125 110.0(16) . . ?
C34 N29 C35 122.3(12) . . ?
C141 N30 C142 119.6(10) . . ?
C192 N31 C193 116.5(11) . . ?
C143 N32 C36 111.5(9) . . ?
C194 N32 C36 113.6(10) . . ?
C194 N32 C143 111.9(10) . . ?
C52 N33 C53 117.3(11) . . ?
C88 N34 C89 118.2(12) . . ?
C213 N35 C214 117.4(11) . . ?
C54 N36 C90 112.3(10) . . ?
C54 N36 C215 110.0(10) . . ?
C90 N36 C215 116.1(10) . . ?
C216 N37 C106 126.1(15) . . ?
C159 N38 C160 113.3(15) . . ?
C177 N39 C178 115.9(13) . . ?
C161 N40 C107 112.1(13) . . ?
C179 N40 C107 113.7(15) . . ?
C179 N40 C161 109.8(13) . . ?
N1 C1 C2 107.0(11) . . ?
N1 C1 C4 120.1(12) . . ?
C2 C1 C4 132.8(11) . . ?
C1 C2 C3 106.8(11) . . ?
C1 C2 C10 129.7(11) . . ?
C3 C2 C10 123.3(12) . . ?
N2 C3 C2 106.0(11) . . ?
N2 C3 C7 124.8(12) . . ?
C2 C3 C7 129.1(12) . . ?
C1 C4 H4 107.5 . . ?
C1 C4 C5 109.0(11) . . ?
C5 C4 H4 107.5 . . ?
C6 C4 C1 116.6(12) . . ?
C6 C4 H4 107.5 . . ?
C6 C4 C5 108.4(11) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C7 H7 95.1 . . ?
C3 C7 C8 117.9(12) . . ?
C3 C7 C9 121.1(12) . . ?
C8 C7 H7 95.1 . . ?
C8 C7 C9 118.7(13) . . ?
C9 C7 H7 95.1 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C2 120.2(12) . . ?
C15 C10 C2 120.3(11) . . ?
C15 C10 C11 119.4(13) . . ?
C10 C11 H11 121.2 . . ?
C12 C11 C10 117.5(14) . . ?
C12 C11 H11 121.2 . . ?
C11 C12 H12 117.3 . . ?
C11 C12 C13 125.4(15) . . ?
C13 C12 H12 117.3 . . ?
C12 C13 C16 121.4(13) . . ?
C14 C13 C12 116.4(14) . . ?
C14 C13 C16 122.2(14) . . ?
C13 C14 H14 119.2 . . ?
C13 C14 C15 121.6(14) . . ?
C15 C14 H14 119.2 . . ?
C10 C15 C14 119.6(13) . . ?
C10 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
N25 C16 C13 125.3(16) . . ?
N25 C16 H16 117.4 . . ?
C13 C16 H16 117.4 . . ?
N25 C17 H17A 110.0 . . ?
N25 C17 H17B 110.0 . . ?
N25 C17 C18 108.5(15) . . ?
H17A C17 H17B 108.4 . . ?
C18 C17 H17A 110.0 . . ?
C18 C17 H17B 110.0 . . ?
N28 C18 C17 112.4(15) . . ?
N28 C18 H18A 109.1 . . ?
N28 C18 H18B 109.1 . . ?
C17 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
N3 C19 C20 105.3(10) . . ?
N3 C19 C22 120.1(11) . . ?
C20 C19 C22 134.5(11) . . ?
C19 C20 C28 125.9(12) . . ?
C21 C20 C19 106.6(10) . . ?
C21 C20 C28 127.3(12) . . ?
N4 C21 C20 109.1(12) . . ?
N4 C21 C25 120.8(12) . . ?
C20 C21 C25 130.0(12) . . ?
C19 C22 H22 108.0 . . ?
C19 C22 C23 114.0(13) . . ?
C19 C22 C24 111.3(12) . . ?
C23 C22 H22 108.0 . . ?
C23 C22 C24 107.2(14) . . ?
C24 C22 H22 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25 105.7 . . ?
C21 C25 C26 113.2(13) . . ?
C26 C25 H25 105.7 . . ?
C27 C25 C21 112.7(15) . . ?
C27 C25 H25 105.7 . . ?
C27 C25 C26 113.1(14) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C20 C28 C29 121.2(12) . . ?
C33 C28 C20 124.6(12) . . ?
C33 C28 C29 114.2(11) . . ?
C28 C29 H29 118.2 . . ?
C30 C29 C28 123.6(13) . . ?
C30 C29 H29 118.2 . . ?
C29 C30 H30 120.6 . . ?
C29 C30 C31 118.8(12) . . ?
C31 C30 H30 120.6 . . ?
C32 C31 C30 117.8(12) . . ?
C32 C31 C34 122.1(13) . . ?
C34 C31 C30 120.1(12) . . ?
C31 C32 H32 119.4 . . ?
C31 C32 C33 121.3(13) . . ?
C33 C32 H32 119.4 . . ?
C28 C33 C32 124.2(13) . . ?
C28 C33 H33 117.9 . . ?
C32 C33 H33 117.9 . . ?
N29 C34 C31 124.9(14) . . ?
N29 C34 H34 117.6 . . ?
C31 C34 H34 117.6 . . ?
N29 C35 H35A 108.8 . . ?
N29 C35 H35B 108.8 . . ?
H35A C35 H35B 107.7 . . ?
C36 C35 N29 113.9(13) . . ?
C36 C35 H35A 108.8 . . ?
C36 C35 H35B 108.8 . . ?
N32 C36 H36A 108.8 . . ?
N32 C36 H36B 108.8 . . ?
C35 C36 N32 113.9(10) . . ?
C35 C36 H36A 108.8 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
N5 C37 C40 118.9(11) . . ?
C38 C37 N5 108.8(12) . . ?
C38 C37 C40 132.3(13) . . ?
C37 C38 C39 105.7(11) . . ?
C37 C38 C46 125.8(12) . . ?
C39 C38 C46 128.4(11) . . ?
N6 C39 C38 110.2(12) . . ?
N6 C39 C43 118.3(13) . . ?
C38 C39 C43 131.5(13) . . ?
C37 C40 H40 108.2 . . ?
C41 C40 C37 108.6(14) . . ?
C41 C40 H40 108.2 . . ?
C42 C40 C37 116.2(13) . . ?
C42 C40 H40 108.2 . . ?
C42 C40 C41 107.2(14) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C39 C43 H43 107.4 . . ?
C39 C43 C44 111.5(14) . . ?
C39 C43 C45 114.7(15) . . ?
C44 C43 H43 107.4 . . ?
C45 C43 H43 107.4 . . ?
C45 C43 C44 108.1(13) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C38 123.1(11) . . ?
C51 C46 C38 120.4(11) . . ?
C51 C46 C47 116.5(11) . . ?
C46 C47 H47 117.9 . . ?
C48 C47 C46 124.2(13) . . ?
C48 C47 H47 117.9 . . ?
C47 C48 H48 119.6 . . ?
C47 C48 C49 120.9(12) . . ?
C49 C48 H48 119.6 . . ?
C48 C49 C52 122.9(11) . . ?
C50 C49 C48 116.7(12) . . ?
C50 C49 C52 120.2(11) . . ?
C49 C50 H50 120.6 . . ?
C49 C50 C51 118.9(12) . . ?
C51 C50 H50 120.6 . . ?
C46 C51 C50 122.8(11) . . ?
C46 C51 H51 118.6 . . ?
C50 C51 H51 118.6 . . ?
N33 C52 C49 119.2(12) . . ?
N33 C52 H52 120.4 . . ?
C49 C52 H52 120.4 . . ?
N33 C53 H53A 110.0 . . ?
N33 C53 H53B 110.0 . . ?
N33 C53 C54 108.3(11) . . ?
H53A C53 H53B 108.4 . . ?
C54 C53 H53A 110.0 . . ?
C54 C53 H53B 110.0 . . ?
N36 C54 C53 110.6(10) . . ?
N36 C54 H54A 109.5 . . ?
N36 C54 H54B 109.5 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 108.1 . . ?
N7 C55 C56 107.8(11) . . ?
N7 C55 C58 119.5(11) . . ?
C56 C55 C58 132.7(11) . . ?
C55 C56 C64 124.4(12) . . ?
C57 C56 C55 108.2(11) . . ?
C57 C56 C64 127.4(13) . . ?
N8 C57 C61 117.3(12) . . ?
C56 C57 N8 110.0(12) . . ?
C56 C57 C61 132.7(14) . . ?
C55 C58 H58 107.5 . . ?
C59 C58 C55 110.4(11) . . ?
C59 C58 H58 107.5 . . ?
C60 C58 C55 115.3(12) . . ?
C60 C58 H58 107.5 . . ?
C60 C58 C59 108.5(12) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C57 C61 H61 100.6 . . ?
C57 C61 C62 112.7(15) . . ?
C62 C61 H61 100.6 . . ?
C63 C61 C57 120.2(14) . . ?
C63 C61 H61 100.6 . . ?
C63 C61 C62 117.2(15) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 C56 122.5(11) . . ?
C65 C64 C69 118.1(11) . . ?
C69 C64 C56 119.1(10) . . ?
C64 C65 H65 119.7 . . ?
C64 C65 C66 120.7(12) . . ?
C66 C65 H65 119.7 . . ?
C65 C66 H66 118.2 . . ?
C67 C66 C65 123.7(12) . . ?
C67 C66 H66 118.2 . . ?
C66 C67 C70 123.2(13) . . ?
C68 C67 C66 113.6(12) . . ?
C68 C67 C70 123.2(14) . . ?
C67 C68 H68 117.3 . . ?
C69 C68 C67 125.4(13) . . ?
C69 C68 H68 117.3 . . ?
C64 C69 H69 121.0 . . ?
C68 C69 C64 118.1(11) . . ?
C68 C69 H69 121.0 . . ?
N26 C70 C67 120.7(16) . . ?
N26 C70 H70 119.6 . . ?
C67 C70 H70 119.6 . . ?
N26 C71 H71A 109.9 . . ?
N26 C71 H71B 109.9 . . ?
H71A C71 H71B 108.3 . . ?
C72 C71 N26 108.9(16) . . ?
C72 C71 H71A 109.9 . . ?
C72 C71 H71B 109.9 . . ?
N28 C72 H72A 108.4 . . ?
N28 C72 H72B 108.4 . . ?
C71 C72 N28 115.4(15) . . ?
C71 C72 H72A 108.4 . . ?
C71 C72 H72B 108.4 . . ?
H72A C72 H72B 107.5 . . ?
N9 C73 C74 109.9(12) . . ?
N9 C73 C76 117.5(12) . . ?
C74 C73 C76 132.6(12) . . ?
C73 C74 C75 104.3(10) . . ?
C73 C74 C82 128.6(12) . . ?
C75 C74 C82 127.1(11) . . ?
N10 C75 C74 107.6(10) . . ?
N10 C75 C79 122.7(11) . . ?
C79 C75 C74 129.7(11) . . ?
C73 C76 H76 106.2 . . ?
C77 C76 C73 106.7(13) . . ?
C77 C76 H76 106.2 . . ?
C77 C76 C78 120.2(18) . . ?
C78 C76 C73 110.4(15) . . ?
C78 C76 H76 106.2 . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C75 C79 H79 105.0 . . ?
C75 C79 C80 119.5(12) . . ?
C75 C79 C81 115.3(12) . . ?
C80 C79 H79 105.0 . . ?
C80 C79 C81 105.6(13) . . ?
C81 C79 H79 105.0 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C81 H81A 109.5 . . ?
C79 C81 H81B 109.5 . . ?
C79 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 C74 123.9(10) . . ?
C83 C82 C87 116.2(10) . . ?
C87 C82 C74 119.8(10) . . ?
C82 C83 H83 119.7 . . ?
C84 C83 C82 120.7(12) . . ?
C84 C83 H83 119.7 . . ?
C83 C84 H84 117.9 . . ?
C85 C84 C83 124.1(13) . . ?
C85 C84 H84 117.9 . . ?
C84 C85 C86 116.2(11) . . ?
C84 C85 C88 126.5(13) . . ?
C86 C85 C88 117.2(12) . . ?
C85 C86 H86 119.8 . . ?
C87 C86 C85 120.4(11) . . ?
C87 C86 H86 119.8 . . ?
C82 C87 H87 118.9 . . ?
C86 C87 C82 122.1(11) . . ?
C86 C87 H87 118.9 . . ?
N34 C88 C85 121.5(13) . . ?
N34 C88 H88 119.3 . . ?
C85 C88 H88 119.3 . . ?
N34 C89 H89A 109.3 . . ?
N34 C89 H89B 109.3 . . ?
N34 C89 C90 111.7(11) . . ?
H89A C89 H89B 107.9 . . ?
C90 C89 H89A 109.3 . . ?
C90 C89 H89B 109.3 . . ?
N36 C90 C89 111.6(11) . . ?
N36 C90 H90A 109.3 . . ?
N36 C90 H90B 109.3 . . ?
C89 C90 H90A 109.3 . . ?
C89 C90 H90B 109.3 . . ?
H90A C90 H90B 108.0 . . ?
N11 C91 C92 111.9(10) . . ?
N11 C91 C94 119.0(10) . . ?
C92 C91 C94 128.8(12) . . ?
C91 C92 C93 106.2(11) . . ?
C91 C92 C100 129.8(12) . . ?
C93 C92 C100 123.9(11) . . ?
N12 C93 C92 106.4(10) . . ?
N12 C93 C97 119.2(13) . . ?
C92 C93 C97 134.2(14) . . ?
C91 C94 H94 107.0 . . ?
C95 C94 C91 117.6(11) . . ?
C95 C94 H94 107.0 . . ?
C96 C94 C91 111.9(11) . . ?
C96 C94 H94 107.0 . . ?
C96 C94 C95 105.8(13) . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C93 C97 H97 110.6 . . ?
C93 C97 C98 107.3(15) . . ?
C93 C97 C99 114.3(13) . . ?
C98 C97 H97 110.6 . . ?
C98 C97 C99 103.0(16) . . ?
C99 C97 H97 110.6 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C101 C100 C92 124.8(11) . . ?
C101 C100 C105 118.0(12) . . ?
C105 C100 C92 117.1(11) . . ?
C100 C101 H101 116.8 . . ?
C100 C101 C102 126.4(12) . . ?
C102 C101 H101 116.8 . . ?
C101 C102 H102 120.2 . . ?
C101 C102 C103 119.7(12) . . ?
C103 C102 H102 120.2 . . ?
C104 C103 C102 114.1(12) . . ?
C216 C103 C102 122.1(12) . . ?
C216 C103 C104 123.7(13) . . ?
C103 C104 H104 118.4 . . ?
C103 C104 C105 123.3(11) . . ?
C105 C104 H104 118.4 . . ?
C100 C105 C104 118.5(11) . . ?
C100 C105 H105 120.8 . . ?
C104 C105 H105 120.8 . . ?
N37 C106 H10A 110.8 . . ?
N37 C106 H10B 110.8 . . ?
N37 C106 C107 104.7(15) . . ?
H10A C106 H10B 108.9 . . ?
C107 C106 H10A 110.8 . . ?
C107 C106 H10B 110.8 . . ?
N40 C107 C106 117.3(12) . . ?
N40 C107 H10C 108.0 . . ?
N40 C107 H10D 108.0 . . ?
C106 C107 H10C 108.0 . . ?
C106 C107 H10D 108.0 . . ?
H10C C107 H10D 107.2 . . ?
N13 C108 C109 109.6(10) . . ?
N13 C108 C111 116.4(12) . . ?
C109 C108 C111 134.0(12) . . ?
C110 C109 C108 103.0(12) . . ?
C110 C109 C117 130.8(14) . . ?
C117 C109 C108 126.2(12) . . ?
N14 C110 C109 112.4(12) . . ?
N14 C110 C114 118.4(12) . . ?
C109 C110 C114 129.1(14) . . ?
C108 C111 H111 106.8 . . ?
C108 C111 C112 105.7(12) . . ?
C112 C111 H111 106.8 . . ?
C113 C111 C108 117.9(13) . . ?
C113 C111 H111 106.8 . . ?
C113 C111 C112 112.3(13) . . ?
C111 C112 H11A 109.5 . . ?
C111 C112 H11B 109.5 . . ?
C111 C112 H11C 109.5 . . ?
H11A C112 H11B 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C111 C113 H11D 109.5 . . ?
C111 C113 H11E 109.5 . . ?
C111 C113 H11F 109.5 . . ?
H11D C113 H11E 109.5 . . ?
H11D C113 H11F 109.5 . . ?
H11E C113 H11F 109.5 . . ?
C110 C114 H114 105.6 . . ?
C110 C114 C115 107.3(12) . . ?
C110 C114 C116 116.3(14) . . ?
C115 C114 H114 105.6 . . ?
C116 C114 H114 105.6 . . ?
C116 C114 C115 115.5(14) . . ?
C114 C115 H11G 109.5 . . ?
C114 C115 H11H 109.5 . . ?
C114 C115 H11I 109.5 . . ?
H11G C115 H11H 109.5 . . ?
H11G C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C114 C116 H11J 109.5 . . ?
C114 C116 H11K 109.5 . . ?
C114 C116 H11L 109.5 . . ?
H11J C116 H11K 109.5 . . ?
H11J C116 H11L 109.5 . . ?
H11K C116 H11L 109.5 . . ?
C118 C117 C109 122.0(12) . . ?
C118 C117 C122 117.5(13) . . ?
C122 C117 C109 120.4(12) . . ?
C117 C118 H118 119.4 . . ?
C117 C118 C119 121.3(13) . . ?
C119 C118 H118 119.4 . . ?
C118 C119 H119 119.5 . . ?
C120 C119 C118 121.0(13) . . ?
C120 C119 H119 119.5 . . ?
C119 C120 C121 115.5(13) . . ?
C119 C120 C123 120.2(15) . . ?
C121 C120 C123 122.9(14) . . ?
C120 C121 H121 120.4 . . ?
C122 C121 C120 119.3(13) . . ?
C122 C121 H121 120.4 . . ?
C117 C122 H122 117.8 . . ?
C121 C122 C117 124.3(14) . . ?
C121 C122 H122 117.8 . . ?
N27 C123 C120 117.7(17) . . ?
N27 C123 H123 121.1 . . ?
C120 C123 H123 121.1 . . ?
N27 C124 H12A 110.7 . . ?
N27 C124 H12B 110.7 . . ?
H12A C124 H12B 108.8 . . ?
C125 C124 N27 105.1(17) . . ?
C125 C124 H12A 110.7 . . ?
C125 C124 H12B 110.7 . . ?
N28 C125 H12C 108.7 . . ?
N28 C125 H12D 108.7 . . ?
C124 C125 N28 114.4(16) . . ?
C124 C125 H12C 108.7 . . ?
C124 C125 H12D 108.7 . . ?
H12C C125 H12D 107.6 . . ?
N15 C126 C129 122.4(13) . . ?
C127 C126 N15 108.4(12) . . ?
C127 C126 C129 129.2(13) . . ?
C126 C127 C128 109.4(12) . . ?
C126 C127 C135 127.4(13) . . ?
C128 C127 C135 122.7(12) . . ?
N16 C128 C127 103.5(11) . . ?
N16 C128 C132 121.6(11) . . ?
C127 C128 C132 134.1(11) . . ?
C126 C129 H129 104.7 . . ?
C126 C129 C130 127.3(16) . . ?
C126 C129 C131 110.9(14) . . ?
C130 C129 H129 104.7 . . ?
C130 C129 C131 102.7(19) . . ?
C131 C129 H129 104.7 . . ?
C129 C130 H13A 109.5 . . ?
C129 C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C129 C131 H13D 109.5 . . ?
C129 C131 H13E 109.5 . . ?
C129 C131 H13F 109.5 . . ?
H13D C131 H13E 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
C128 C132 H132 108.2 . . ?
C128 C132 C133 108.2(12) . . ?
C133 C132 H132 108.2 . . ?
C134 C132 C128 114.9(11) . . ?
C134 C132 H132 108.2 . . ?
C134 C132 C133 109.0(13) . . ?
C132 C133 H13G 109.5 . . ?
C132 C133 H13H 109.5 . . ?
C132 C133 H13I 109.5 . . ?
H13G C133 H13H 109.5 . . ?
H13G C133 H13I 109.5 . . ?
H13H C133 H13I 109.5 . . ?
C132 C134 H13J 109.5 . . ?
C132 C134 H13K 109.5 . . ?
C132 C134 H13L 109.5 . . ?
H13J C134 H13K 109.5 . . ?
H13J C134 H13L 109.5 . . ?
H13K C134 H13L 109.5 . . ?
C136 C135 C127 118.3(10) . . ?
C140 C135 C127 121.3(10) . . ?
C140 C135 C136 120.4(11) . . ?
C135 C136 H136 120.9 . . ?
C135 C136 C137 118.3(10) . . ?
C137 C136 H136 120.9 . . ?
C136 C137 H137 118.9 . . ?
C138 C137 C136 122.1(11) . . ?
C138 C137 H137 118.9 . . ?
C137 C138 C141 120.3(11) . . ?
C139 C138 C137 116.8(11) . . ?
C139 C138 C141 122.8(10) . . ?
C138 C139 H139 118.2 . . ?
C138 C139 C140 123.6(11) . . ?
C140 C139 H139 118.2 . . ?
C135 C140 C139 118.6(11) . . ?
C135 C140 H140 120.7 . . ?
C139 C140 H140 120.7 . . ?
N30 C141 C138 123.0(11) . . ?
N30 C141 H141 118.5 . . ?
C138 C141 H141 118.5 . . ?
N30 C142 H14A 109.5 . . ?
N30 C142 H14B 109.5 . . ?
N30 C142 C143 110.5(9) . . ?
H14A C142 H14B 108.1 . . ?
C143 C142 H14A 109.5 . . ?
C143 C142 H14B 109.5 . . ?
N32 C143 C142 110.7(8) . . ?
N32 C143 H14C 109.5 . . ?
N32 C143 H14D 109.5 . . ?
C142 C143 H14C 109.5 . . ?
C142 C143 H14D 109.5 . . ?
H14C C143 H14D 108.1 . . ?
N17 C144 C145 110.5(13) . . ?
N17 C144 C147 122.4(12) . . ?
C145 C144 C147 126.7(14) . . ?
C144 C145 C153 126.4(14) . . ?
C146 C145 C144 104.7(12) . . ?
C146 C145 C153 128.8(13) . . ?
N18 C146 C150 116.0(13) . . ?
C145 C146 N18 109.8(13) . . ?
C145 C146 C150 134.0(13) . . ?
C144 C147 H147 100.8 . . ?
C144 C147 C149 103.1(14) . . ?
C148 C147 C144 118.3(14) . . ?
C148 C147 H147 100.8 . . ?
C148 C147 C149 128.1(17) . . ?
C149 C147 H147 100.8 . . ?
C147 C148 H14E 109.5 . . ?
C147 C148 H14F 109.5 . . ?
C147 C148 H14G 109.5 . . ?
H14E C148 H14F 109.5 . . ?
H14E C148 H14G 109.5 . . ?
H14F C148 H14G 109.5 . . ?
C147 C149 H14H 109.5 . . ?
C147 C149 H14I 109.5 . . ?
C147 C149 H14J 109.5 . . ?
H14H C149 H14I 109.5 . . ?
H14H C149 H14J 109.5 . . ?
H14I C149 H14J 109.5 . . ?
C146 C150 H150 105.3 . . ?
C151 C150 C146 111.0(15) . . ?
C151 C150 H150 105.3 . . ?
C152 C150 C146 112.8(15) . . ?
C152 C150 H150 105.3 . . ?
C152 C150 C151 116.0(15) . . ?
C150 C151 H15A 109.5 . . ?
C150 C151 H15B 109.5 . . ?
C150 C151 H15C 109.5 . . ?
H15A C151 H15B 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C150 C152 H15D 109.5 . . ?
C150 C152 H15E 109.5 . . ?
C150 C152 H15F 109.5 . . ?
H15D C152 H15E 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C154 C153 C145 112.9(12) . . ?
C158 C153 C145 127.6(13) . . ?
C158 C153 C154 119.5(13) . . ?
C153 C154 H154 120.8 . . ?
C153 C154 C155 118.5(13) . . ?
C155 C154 H154 120.8 . . ?
C154 C155 H155 119.3 . . ?
C156 C155 C154 121.4(13) . . ?
C156 C155 H155 119.3 . . ?
C155 C156 C157 116.9(13) . . ?
C155 C156 C159 119.2(14) . . ?
C157 C156 C159 123.9(14) . . ?
C156 C157 H157 118.5 . . ?
C156 C157 C158 123.1(14) . . ?
C158 C157 H157 118.5 . . ?
C153 C158 C157 120.2(14) . . ?
C153 C158 H158 119.9 . . ?
C157 C158 H158 119.9 . . ?
N38 C159 C156 119.0(16) . . ?
N38 C159 H159 120.5 . . ?
C156 C159 H159 120.5 . . ?
N38 C160 H16A 110.4 . . ?
N38 C160 H16B 110.4 . . ?
N38 C160 C161 106.7(14) . . ?
H16A C160 H16B 108.6 . . ?
C161 C160 H16A 110.4 . . ?
C161 C160 H16B 110.4 . . ?
N40 C161 C160 109.2(13) . . ?
N40 C161 H16C 109.8 . . ?
N40 C161 H16D 109.8 . . ?
C160 C161 H16C 109.8 . . ?
C160 C161 H16D 109.8 . . ?
H16C C161 H16D 108.3 . . ?
N19 C162 C165 119.5(9) . . ?
C163 C162 N19 109.0(9) . . ?
C163 C162 C165 131.5(10) . . ?
C162 C163 C164 105.1(9) . . ?
C162 C163 C171 126.5(9) . . ?
C164 C163 C171 128.0(9) . . ?
N20 C164 C163 112.1(9) . . ?
N20 C164 C168 119.7(9) . . ?
C163 C164 C168 127.7(9) . . ?
C162 C165 H165 107.1 . . ?
C162 C165 C167 113.0(11) . . ?
C166 C165 C162 108.3(11) . . ?
C166 C165 H165 107.1 . . ?
C166 C165 C167 114.0(12) . . ?
C167 C165 H165 107.1 . . ?
C165 C166 H16E 109.5 . . ?
C165 C166 H16F 109.5 . . ?
C165 C166 H16G 109.5 . . ?
H16E C166 H16F 109.5 . . ?
H16E C166 H16G 109.5 . . ?
H16F C166 H16G 109.5 . . ?
C165 C167 H16H 109.5 . . ?
C165 C167 H16I 109.5 . . ?
C165 C167 H16J 109.5 . . ?
H16H C167 H16I 109.5 . . ?
H16H C167 H16J 109.5 . . ?
H16I C167 H16J 109.5 . . ?
C164 C168 H168 106.8 . . ?
C169 C168 C164 111.2(10) . . ?
C169 C168 H168 106.8 . . ?
C170 C168 C164 108.7(11) . . ?
C170 C168 H168 106.8 . . ?
C170 C168 C169 116.1(12) . . ?
C168 C169 H16K 109.5 . . ?
C168 C169 H16L 109.5 . . ?
C168 C169 H16M 109.5 . . ?
H16K C169 H16L 109.5 . . ?
H16K C169 H16M 109.5 . . ?
H16L C169 H16M 109.5 . . ?
C168 C170 H17C 109.5 . . ?
C168 C170 H17D 109.5 . . ?
C168 C170 H17E 109.5 . . ?
H17C C170 H17D 109.5 . . ?
H17C C170 H17E 109.5 . . ?
H17D C170 H17E 109.5 . . ?
C172 C171 C163 120.0(10) . . ?
C176 C171 C163 120.5(10) . . ?
C176 C171 C172 119.5(10) . . ?
C171 C172 H172 119.6 . . ?
C173 C172 C171 120.7(12) . . ?
C173 C172 H172 119.6 . . ?
C172 C173 H173 118.5 . . ?
C172 C173 C174 123.0(12) . . ?
C174 C173 H173 118.5 . . ?
C173 C174 C175 117.7(11) . . ?
C173 C174 C177 125.3(12) . . ?
C175 C174 C177 116.8(12) . . ?
C174 C175 H175 121.2 . . ?
C174 C175 C176 117.5(12) . . ?
C176 C175 H175 121.2 . . ?
C171 C176 C175 121.2(11) . . ?
C171 C176 H176 119.4 . . ?
C175 C176 H176 119.4 . . ?
N39 C177 C174 116.7(14) . . ?
N39 C177 H177 121.7 . . ?
C174 C177 H177 121.7 . . ?
N39 C178 H17F 109.4 . . ?
N39 C178 H17G 109.4 . . ?
N39 C178 C179 111.0(12) . . ?
H17F C178 H17G 108.0 . . ?
C179 C178 H17F 109.4 . . ?
C179 C178 H17G 109.4 . . ?
N40 C179 C178 113.3(13) . . ?
N40 C179 H17H 108.9 . . ?
N40 C179 H17I 108.9 . . ?
C178 C179 H17H 108.9 . . ?
C178 C179 H17I 108.9 . . ?
H17H C179 H17I 107.7 . . ?
N21 C180 C181 108.0(7) . . ?
N21 C180 C195 120.6(8) . . ?
C181 C180 C195 131.1(8) . . ?
C180 C181 C186 125.8(8) . . ?
C182 C181 C180 105.7(7) . . ?
C182 C181 C186 128.4(9) . . ?
N22 C182 C181 108.1(8) . . ?
N22 C182 C183 122.2(8) . . ?
C181 C182 C183 129.7(8) . . ?
C182 C183 H183 106.8 . . ?
C184 C183 C182 112.8(9) . . ?
C184 C183 H183 106.8 . . ?
C185 C183 C182 113.7(9) . . ?
C185 C183 H183 106.8 . . ?
C185 C183 C184 109.4(10) . . ?
C183 C184 H18C 109.5 . . ?
C183 C184 H18D 109.5 . . ?
C183 C184 H18E 109.5 . . ?
H18C C184 H18D 109.5 . . ?
H18C C184 H18E 109.5 . . ?
H18D C184 H18E 109.5 . . ?
C183 C185 H18F 109.5 . . ?
C183 C185 H18G 109.5 . . ?
C183 C185 H18H 109.5 . . ?
H18F C185 H18G 109.5 . . ?
H18F C185 H18H 109.5 . . ?
H18G C185 H18H 109.5 . . ?
C187 C186 C181 122.7(9) . . ?
C191 C186 C181 118.5(8) . . ?
C191 C186 C187 118.8(8) . . ?
C186 C187 H187 120.8 . . ?
C188 C187 C186 118.4(10) . . ?
C188 C187 H187 120.8 . . ?
C187 C188 H188 117.9 . . ?
C187 C188 C189 124.3(10) . . ?
C189 C188 H188 117.9 . . ?
C188 C189 C192 121.0(10) . . ?
C190 C189 C188 118.2(9) . . ?
C190 C189 C192 120.6(11) . . ?
C189 C190 H190 119.1 . . ?
C189 C190 C191 121.8(11) . . ?
C191 C190 H190 119.1 . . ?
C186 C191 C190 118.4(9) . . ?
C186 C191 H191 120.8 . . ?
C190 C191 H191 120.8 . . ?
N31 C192 C189 123.0(12) . . ?
N31 C192 H192 118.5 . . ?
C189 C192 H192 118.5 . . ?
N31 C193 H19A 110.2 . . ?
N31 C193 H19B 110.2 . . ?
H19A C193 H19B 108.5 . . ?
C194 C193 N31 107.5(10) . . ?
C194 C193 H19A 110.2 . . ?
C194 C193 H19B 110.2 . . ?
N32 C194 C193 110.8(11) . . ?
N32 C194 H19C 109.5 . . ?
N32 C194 H19D 109.5 . . ?
C193 C194 H19C 109.5 . . ?
C193 C194 H19D 109.5 . . ?
H19C C194 H19D 108.1 . . ?
C180 C195 H195 105.1 . . ?
C180 C195 C196 116.2(10) . . ?
C180 C195 C197 109.1(10) . . ?
C196 C195 H195 105.1 . . ?
C196 C195 C197 115.0(9) . . ?
C197 C195 H195 105.1 . . ?
C195 C196 H19E 109.5 . . ?
C195 C196 H19F 109.5 . . ?
C195 C196 H19G 109.5 . . ?
H19E C196 H19F 109.5 . . ?
H19E C196 H19G 109.5 . . ?
H19F C196 H19G 109.5 . . ?
C195 C197 H19H 109.5 . . ?
C195 C197 H19I 109.5 . . ?
C195 C197 H19J 109.5 . . ?
H19H C197 H19I 109.5 . . ?
H19H C197 H19J 109.5 . . ?
H19I C197 H19J 109.5 . . ?
N23 C198 C199 108.3(8) . . ?
N23 C198 C201 122.7(8) . . ?
C199 C198 C201 128.9(9) . . ?
C198 C199 C200 104.8(8) . . ?
C198 C199 C207 128.9(9) . . ?
C200 C199 C207 126.2(8) . . ?
N24 C200 C199 110.1(8) . . ?
N24 C200 C204 122.8(9) . . ?
C199 C200 C204 126.7(9) . . ?
C198 C201 H201 103.9 . . ?
C198 C201 C202 110.1(10) . . ?
C198 C201 C203 112.6(10) . . ?
C202 C201 H201 103.9 . . ?
C203 C201 H201 103.9 . . ?
C203 C201 C202 120.5(11) . . ?
C201 C202 H20A 109.5 . . ?
C201 C202 H20B 109.5 . . ?
C201 C202 H20C 109.5 . . ?
H20A C202 H20B 109.5 . . ?
H20A C202 H20C 109.5 . . ?
H20B C202 H20C 109.5 . . ?
C201 C203 H20D 109.5 . . ?
C201 C203 H20E 109.5 . . ?
C201 C203 H20F 109.5 . . ?
H20D C203 H20E 109.5 . . ?
H20D C203 H20F 109.5 . . ?
H20E C203 H20F 109.5 . . ?
C200 C204 H204 107.2 . . ?
C200 C204 C206 109.0(9) . . ?
C205 C204 C200 113.6(10) . . ?
C205 C204 H204 107.2 . . ?
C205 C204 C206 112.3(11) . . ?
C206 C204 H204 107.2 . . ?
C204 C205 H20G 109.5 . . ?
C204 C205 H20H 109.5 . . ?
C204 C205 H20I 109.5 . . ?
H20G C205 H20H 109.5 . . ?
H20G C205 H20I 109.5 . . ?
H20H C205 H20I 109.5 . . ?
C204 C206 H20J 109.5 . . ?
C204 C206 H20K 109.5 . . ?
C204 C206 H20L 109.5 . . ?
H20J C206 H20K 109.5 . . ?
H20J C206 H20L 109.5 . . ?
H20K C206 H20L 109.5 . . ?
C208 C207 C199 121.0(9) . . ?
C212 C207 C199 118.0(9) . . ?
C212 C207 C208 120.9(9) . . ?
C207 C208 H208 119.7 . . ?
C209 C208 C207 120.6(10) . . ?
C209 C208 H208 119.7 . . ?
C208 C209 H209 120.2 . . ?
C208 C209 C210 119.6(10) . . ?
C210 C209 H209 120.2 . . ?
C209 C210 C213 118.6(10) . . ?
C211 C210 C209 118.2(9) . . ?
C211 C210 C213 123.0(10) . . ?
C210 C211 H211 118.7 . . ?
C210 C211 C212 122.6(10) . . ?
C212 C211 H211 118.7 . . ?
C207 C212 C211 117.9(9) . . ?
C207 C212 H212 121.1 . . ?
C211 C212 H212 121.1 . . ?
N35 C213 C210 119.0(11) . . ?
N35 C213 H213 120.5 . . ?
C210 C213 H213 120.5 . . ?
N35 C214 H21A 110.2 . . ?
N35 C214 H21B 110.2 . . ?
N35 C214 C215 107.8(10) . . ?
H21A C214 H21B 108.5 . . ?
C215 C214 H21A 110.2 . . ?
C215 C214 H21B 110.2 . . ?
N36 C215 C214 108.8(10) . . ?
N36 C215 H21C 109.9 . . ?
N36 C215 H21D 109.9 . . ?
C214 C215 H21C 109.9 . . ?
C214 C215 H21D 109.9 . . ?
H21C C215 H21D 108.3 . . ?
N37 C216 C103 125.2(14) . . ?
N37 C216 H216 117.4 . . ?
C103 C216 H216 117.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 8.9(10) . . . . ?
Au1 N1 N2 C3 -163.4(7) . . . . ?
Au1 N1 C1 C2 161.3(8) . . . . ?
Au1 N1 C1 C4 -18.1(16) . . . . ?
Au1 N6 C39 C38 -171.1(9) . . . . ?
Au1 N6 C39 C43 7(2) . . . . ?
Au2 N2 C3 C2 -170.6(7) . . . . ?
Au2 N2 C3 C7 4.9(17) . . . . ?
Au2 N3 N4 Au3 6.6(11) . . . . ?
Au2 N3 N4 C21 -163.8(8) . . . . ?
Au2 N3 C19 C20 160.6(8) . . . . ?
Au2 N3 C19 C22 -17.4(17) . . . . ?
Au3 N4 C21 C20 -169.2(9) . . . . ?
Au3 N4 C21 C25 7(2) . . . . ?
Au3 N5 N6 Au1 8.3(12) . . . . ?
Au3 N5 N6 C39 -164.5(9) . . . . ?
Au3 N5 C37 C38 162.7(8) . . . . ?
Au3 N5 C37 C40 -18.7(18) . . . . ?
Au4 N7 N8 Au5 4.6(9) . . . . ?
Au4 N7 N8 C57 -163.6(7) . . . . ?
Au4 N7 C55 C56 162.2(7) . . . . ?
Au4 N7 C55 C58 -17.3(14) . . . . ?
Au4 N12 C93 C92 -167.3(8) . . . . ?
Au4 N12 C93 C97 17.1(18) . . . . ?
Au5 N8 C57 C56 -167.6(8) . . . . ?
Au5 N8 C57 C61 14.1(17) . . . . ?
Au5 N9 N10 Au6 4.7(10) . . . . ?
Au5 N9 N10 C75 -162.4(7) . . . . ?
Au5 N9 C73 C74 158.1(8) . . . . ?
Au5 N9 C73 C76 -20.6(18) . . . . ?
Au6 N10 C75 C74 -165.9(7) . . . . ?
Au6 N10 C75 C79 12.6(15) . . . . ?
Au6 N11 N12 Au4 4.3(9) . . . . ?
Au6 N11 N12 C93 -161.8(8) . . . . ?
Au6 N11 C91 C92 162.0(8) . . . . ?
Au6 N11 C91 C94 -22.8(15) . . . . ?
Au7 N13 N14 Au8 0.7(9) . . . . ?
Au7 N13 N14 C110 167.3(7) . . . . ?
Au7 N13 C108 C109 -165.8(8) . . . . ?
Au7 N13 C108 C111 13.9(16) . . . . ?
Au7 N18 C146 C145 164.3(10) . . . . ?
Au7 N18 C146 C150 -20.5(18) . . . . ?
Au8 N14 C110 C109 164.5(8) . . . . ?
Au8 N14 C110 C114 -14.7(16) . . . . ?
Au8 N15 N16 Au9 7.6(11) . . . . ?
Au8 N15 N16 C128 171.3(7) . . . . ?
Au8 N15 C126 C127 -173.1(8) . . . . ?
Au8 N15 C126 C129 5.2(18) . . . . ?
Au9 N16 C128 C127 166.1(8) . . . . ?
Au9 N16 C128 C132 -23.0(16) . . . . ?
Au9 N17 N18 Au7 4.6(12) . . . . ?
Au9 N17 N18 C146 171.5(9) . . . . ?
Au9 N17 C144 C145 -169.8(9) . . . . ?
Au9 N17 C144 C147 17(2) . . . . ?
Au10 N19 N20 Au11 -6.4(10) . . . . ?
Au10 N19 N20 C164 169.6(8) . . . . ?
Au10 N19 C162 C163 -166.3(8) . . . . ?
Au10 N19 C162 C165 15.5(17) . . . . ?
Au10 N24 C200 C199 175.0(7) . . . . ?
Au10 N24 C200 C204 -11.8(16) . . . . ?
Au11 N20 C164 C163 170.5(9) . . . . ?
Au11 N20 C164 C168 -1.9(18) . . . . ?
Au11 N21 N22 Au12 15.7(9) . . . . ?
Au11 N21 N22 C182 173.9(6) . . . . ?
Au11 N21 C180 C181 -171.4(7) . . . . ?
Au11 N21 C180 C195 2.9(14) . . . . ?
Au12 N22 C182 C181 153.9(6) . . . . ?
Au12 N22 C182 C183 -24.1(13) . . . . ?
Au12 N23 N24 Au10 -7.9(9) . . . . ?
Au12 N23 N24 C200 167.2(7) . . . . ?
Au12 N23 C198 C199 -165.6(7) . . . . ?
Au12 N23 C198 C201 11.5(15) . . . . ?
N1 N2 C3 C2 0.8(12) . . . . ?
N1 N2 C3 C7 176.3(10) . . . . ?
N1 C1 C2 C3 0.5(13) . . . . ?
N1 C1 C2 C10 -174.8(11) . . . . ?
N1 C1 C4 C5 -147.6(12) . . . . ?
N1 C1 C4 C6 89.4(15) . . . . ?
N2 N1 C1 C2 0.0(13) . . . . ?
N2 N1 C1 C4 -179.3(10) . . . . ?
N2 C3 C7 C8 84.1(19) . . . . ?
N2 C3 C7 C9 -78.2(19) . . . . ?
N3 N4 C21 C20 0.1(15) . . . . ?
N3 N4 C21 C25 176.3(12) . . . . ?
N3 C19 C20 C21 3.3(14) . . . . ?
N3 C19 C20 C28 -172.9(12) . . . . ?
N3 C19 C22 C23 -124.1(15) . . . . ?
N3 C19 C22 C24 114.4(15) . . . . ?
N4 N3 C19 C20 -3.4(13) . . . . ?
N4 N3 C19 C22 178.6(11) . . . . ?
N4 C21 C25 C26 135.8(15) . . . . ?
N4 C21 C25 C27 -94.3(17) . . . . ?
N5 N6 C39 C38 0.1(15) . . . . ?
N5 N6 C39 C43 177.8(12) . . . . ?
N5 C37 C38 C39 0.3(15) . . . . ?
N5 C37 C38 C46 178.6(11) . . . . ?
N5 C37 C40 C41 101.8(15) . . . . ?
N5 C37 C40 C42 -137.3(14) . . . . ?
N6 N5 C37 C38 -0.2(14) . . . . ?
N6 N5 C37 C40 178.4(11) . . . . ?
N6 C39 C43 C44 -101.4(16) . . . . ?
N6 C39 C43 C45 135.3(15) . . . . ?
N7 N8 C57 C56 -2.0(12) . . . . ?
N7 N8 C57 C61 179.7(10) . . . . ?
N7 C55 C56 C57 0.1(13) . . . . ?
N7 C55 C56 C64 -177.4(10) . . . . ?
N7 C55 C58 C59 90.2(13) . . . . ?
N7 C55 C58 C60 -146.4(11) . . . . ?
N8 N7 C55 C56 -1.4(11) . . . . ?
N8 N7 C55 C58 179.1(9) . . . . ?
N8 C57 C61 C62 -104.8(15) . . . . ?
N8 C57 C61 C63 110.6(17) . . . . ?
N9 N10 C75 C74 0.0(11) . . . . ?
N9 N10 C75 C79 178.5(10) . . . . ?
N9 C73 C74 C75 3.9(14) . . . . ?
N9 C73 C74 C82 -176.2(11) . . . . ?
N9 C73 C76 C77 -128.0(16) . . . . ?
N9 C73 C76 C78 99.7(16) . . . . ?
N10 N9 C73 C74 -4.1(14) . . . . ?
N10 N9 C73 C76 177.1(11) . . . . ?
N10 C75 C79 C80 131.3(13) . . . . ?
N10 C75 C79 C81 -101.1(14) . . . . ?
N11 N12 C93 C92 -3.5(13) . . . . ?
N11 N12 C93 C97 -179.1(11) . . . . ?
N11 C91 C92 C93 -2.4(14) . . . . ?
N11 C91 C92 C100 -178.7(11) . . . . ?
N11 C91 C94 C95 -134.2(13) . . . . ?
N11 C91 C94 C96 103.0(13) . . . . ?
N12 N11 C91 C92 0.2(12) . . . . ?
N12 N11 C91 C94 175.4(9) . . . . ?
N12 C93 C97 C98 -115.1(16) . . . . ?
N12 C93 C97 C99 131.3(16) . . . . ?
N13 N14 C110 C109 0.6(13) . . . . ?
N13 N14 C110 C114 -178.7(10) . . . . ?
N13 C108 C109 C110 1.8(12) . . . . ?
N13 C108 C109 C117 -178.7(11) . . . . ?
N13 C108 C111 C112 -100.9(14) . . . . ?
N13 C108 C111 C113 132.6(15) . . . . ?
N14 N13 C108 C109 -1.5(12) . . . . ?
N14 N13 C108 C111 178.2(9) . . . . ?
N14 C110 C114 C115 91.0(15) . . . . ?
N14 C110 C114 C116 -137.9(15) . . . . ?
N15 N16 C128 C127 4.0(12) . . . . ?
N15 N16 C128 C132 174.9(10) . . . . ?
N15 C126 C127 C128 1.7(14) . . . . ?
N15 C126 C127 C135 173.2(10) . . . . ?
N15 C126 C129 C130 141(2) . . . . ?
N15 C126 C129 C131 -93.4(18) . . . . ?
N16 N15 C126 C127 0.8(13) . . . . ?
N16 N15 C126 C129 179.1(12) . . . . ?
N16 C128 C132 C133 115.5(13) . . . . ?
N16 C128 C132 C134 -122.5(13) . . . . ?
N17 N18 C146 C145 -0.8(16) . . . . ?
N17 N18 C146 C150 174.4(11) . . . . ?
N17 C144 C145 C146 1.1(16) . . . . ?
N17 C144 C145 C153 -176.0(12) . . . . ?
N17 C144 C147 C148 61(2) . . . . ?
N17 C144 C147 C149 -86.5(16) . . . . ?
N18 N17 C144 C145 -1.6(15) . . . . ?
N18 N17 C144 C147 -175.3(12) . . . . ?
N18 C146 C150 C151 102.6(16) . . . . ?
N18 C146 C150 C152 -125.3(16) . . . . ?
N19 N20 C164 C163 -4.4(14) . . . . ?
N19 N20 C164 C168 -176.7(10) . . . . ?
N19 C162 C163 C164 1.8(14) . . . . ?
N19 C162 C163 C171 174.6(11) . . . . ?
N19 C162 C165 C166 -105.9(14) . . . . ?
N19 C162 C165 C167 126.8(13) . . . . ?
N20 N19 C162 C163 -4.3(13) . . . . ?
N20 N19 C162 C165 177.5(10) . . . . ?
N20 C164 C168 C169 73.1(15) . . . . ?
N20 C164 C168 C170 -55.8(16) . . . . ?
N21 N22 C182 C181 -1.3(10) . . . . ?
N21 N22 C182 C183 -179.2(8) . . . . ?
N21 C180 C181 C182 -3.5(11) . . . . ?
N21 C180 C181 C186 178.5(9) . . . . ?
N21 C180 C195 C196 135.7(10) . . . . ?
N21 C180 C195 C197 -92.4(11) . . . . ?
N22 N21 C180 C181 2.8(10) . . . . ?
N22 N21 C180 C195 177.1(9) . . . . ?
N22 C182 C183 C184 111.7(11) . . . . ?
N22 C182 C183 C185 -123.1(10) . . . . ?
N23 N24 C200 C199 0.7(12) . . . . ?
N23 N24 C200 C204 173.9(10) . . . . ?
N23 C198 C199 C200 -0.4(11) . . . . ?
N23 C198 C199 C207 -178.5(10) . . . . ?
N23 C198 C201 C202 65.9(13) . . . . ?
N23 C198 C201 C203 -71.7(15) . . . . ?
N24 N23 C198 C199 0.8(11) . . . . ?
N24 N23 C198 C201 177.8(9) . . . . ?
N24 C200 C204 C205 -56.0(15) . . . . ?
N24 C200 C204 C206 70.0(14) . . . . ?
N25 C17 C18 N28 -85.4(19) . . . . ?
N26 C71 C72 N28 -75(2) . . . . ?
N27 C124 C125 N28 -80(2) . . . . ?
N29 C35 C36 N32 -82.9(15) . . . . ?
N30 C142 C143 N32 -84.3(12) . . . . ?
N31 C193 C194 N32 -82.9(13) . . . . ?
N33 C53 C54 N36 -81.9(13) . . . . ?
N34 C89 C90 N36 -84.8(15) . . . . ?
N35 C214 C215 N36 -73.3(13) . . . . ?
N37 C106 C107 N40 -72.6(18) . . . . ?
N38 C160 C161 N40 -83.2(16) . . . . ?
N39 C178 C179 N40 -77.6(18) . . . . ?
C1 N1 N2 Au2 171.8(7) . . . . ?
C1 N1 N2 C3 -0.5(12) . . . . ?
C1 C2 C3 N2 -0.8(13) . . . . ?
C1 C2 C3 C7 -176.0(12) . . . . ?
C1 C2 C10 C11 -103.6(17) . . . . ?
C1 C2 C10 C15 72.2(18) . . . . ?
C2 C1 C4 C5 33.3(19) . . . . ?
C2 C1 C4 C6 -89.7(18) . . . . ?
C2 C3 C7 C8 -101.5(19) . . . . ?
C2 C3 C7 C9 96.3(19) . . . . ?
C2 C10 C11 C12 175.8(14) . . . . ?
C2 C10 C15 C14 -178.1(13) . . . . ?
C3 C2 C10 C11 81.8(17) . . . . ?
C3 C2 C10 C15 -102.4(16) . . . . ?
C4 C1 C2 C3 179.7(13) . . . . ?
C4 C1 C2 C10 4(2) . . . . ?
C10 C2 C3 N2 174.9(10) . . . . ?
C10 C2 C3 C7 -0.3(19) . . . . ?
C10 C11 C12 C13 1(3) . . . . ?
C11 C10 C15 C14 -2(2) . . . . ?
C11 C12 C13 C14 1(3) . . . . ?
C11 C12 C13 C16 179.2(16) . . . . ?
C12 C13 C14 C15 -3(2) . . . . ?
C12 C13 C16 N25 13(3) . . . . ?
C13 C14 C15 C10 4(2) . . . . ?
C14 C13 C16 N25 -168.7(18) . . . . ?
C15 C10 C11 C12 0(2) . . . . ?
C16 N25 C17 C18 117.6(19) . . . . ?
C16 C13 C14 C15 178.4(14) . . . . ?
C17 N25 C16 C13 -178.4(16) . . . . ?
C18 N28 C72 C71 138.6(17) . . . . ?
C18 N28 C125 C124 -83.7(19) . . . . ?
C19 N3 N4 Au3 172.6(8) . . . . ?
C19 N3 N4 C21 2.1(14) . . . . ?
C19 C20 C21 N4 -2.1(16) . . . . ?
C19 C20 C21 C25 -177.9(15) . . . . ?
C19 C20 C28 C29 -91.9(17) . . . . ?
C19 C20 C28 C33 90.4(18) . . . . ?
C20 C19 C22 C23 59(2) . . . . ?
C20 C19 C22 C24 -63(2) . . . . ?
C20 C21 C25 C26 -49(2) . . . . ?
C20 C21 C25 C27 81.1(19) . . . . ?
C20 C28 C29 C30 -177.6(14) . . . . ?
C20 C28 C33 C32 174.7(13) . . . . ?
C21 C20 C28 C29 92.7(18) . . . . ?
C21 C20 C28 C33 -85(2) . . . . ?
C22 C19 C20 C21 -179.1(15) . . . . ?
C22 C19 C20 C28 5(2) . . . . ?
C28 C20 C21 N4 174.0(13) . . . . ?
C28 C20 C21 C25 -2(3) . . . . ?
C28 C29 C30 C31 1(2) . . . . ?
C29 C28 C33 C32 -3(2) . . . . ?
C29 C30 C31 C32 0(2) . . . . ?
C29 C30 C31 C34 -178.8(14) . . . . ?
C30 C31 C32 C33 -2(2) . . . . ?
C30 C31 C34 N29 -1(2) . . . . ?
C31 C32 C33 C28 4(2) . . . . ?
C32 C31 C34 N29 -179.4(14) . . . . ?
C33 C28 C29 C30 0(2) . . . . ?
C34 N29 C35 C36 123.3(15) . . . . ?
C34 C31 C32 C33 176.1(14) . . . . ?
C35 N29 C34 C31 -179.0(13) . . . . ?
C36 N32 C143 C142 140.8(9) . . . . ?
C36 N32 C194 C193 -82.0(11) . . . . ?
C37 N5 N6 Au1 172.9(8) . . . . ?
C37 N5 N6 C39 0.0(14) . . . . ?
C37 C38 C39 N6 -0.3(16) . . . . ?
C37 C38 C39 C43 -177.5(15) . . . . ?
C37 C38 C46 C47 -91.5(16) . . . . ?
C37 C38 C46 C51 86.5(16) . . . . ?
C38 C37 C40 C41 -80(2) . . . . ?
C38 C37 C40 C42 41(2) . . . . ?
C38 C39 C43 C44 76(2) . . . . ?
C38 C39 C43 C45 -48(2) . . . . ?
C38 C46 C47 C48 178.0(13) . . . . ?
C38 C46 C51 C50 -175.4(12) . . . . ?
C39 C38 C46 C47 86.4(17) . . . . ?
C39 C38 C46 C51 -95.6(16) . . . . ?
C40 C37 C38 C39 -178.0(15) . . . . ?
C40 C37 C38 C46 0(2) . . . . ?
C46 C38 C39 N6 -178.6(11) . . . . ?
C46 C38 C39 C43 4(2) . . . . ?
C46 C47 C48 C49 -1(2) . . . . ?
C47 C46 C51 C50 2.7(19) . . . . ?
C47 C48 C49 C50 -1.5(19) . . . . ?
C47 C48 C49 C52 -176.5(12) . . . . ?
C48 C49 C50 C51 4.0(18) . . . . ?
C48 C49 C52 N33 0.5(18) . . . . ?
C49 C50 C51 C46 -5(2) . . . . ?
C50 C49 C52 N33 -174.3(12) . . . . ?
C51 C46 C47 C48 0(2) . . . . ?
C52 N33 C53 C54 120.4(12) . . . . ?
C52 C49 C50 C51 179.1(11) . . . . ?
C53 N33 C52 C49 -176.9(11) . . . . ?
C54 N36 C90 C89 -89.7(12) . . . . ?
C54 N36 C215 C214 147.4(10) . . . . ?
C55 N7 N8 Au5 170.3(7) . . . . ?
C55 N7 N8 C57 2.1(11) . . . . ?
C55 C56 C57 N8 1.3(13) . . . . ?
C55 C56 C57 C61 179.2(13) . . . . ?
C55 C56 C64 C65 81.7(16) . . . . ?
C55 C56 C64 C69 -104.9(15) . . . . ?
C56 C55 C58 C59 -89.1(16) . . . . ?
C56 C55 C58 C60 34.2(18) . . . . ?
C56 C57 C61 C62 77(2) . . . . ?
C56 C57 C61 C63 -67(2) . . . . ?
C56 C64 C65 C66 -179.4(12) . . . . ?
C56 C64 C69 C68 179.2(12) . . . . ?
C57 C56 C64 C65 -95.4(17) . . . . ?
C57 C56 C64 C69 78.0(16) . . . . ?
C58 C55 C56 C57 179.5(12) . . . . ?
C58 C55 C56 C64 1.9(19) . . . . ?
C64 C56 C57 N8 178.7(10) . . . . ?
C64 C56 C57 C61 -3(2) . . . . ?
C64 C65 C66 C67 -3(2) . . . . ?
C65 C64 C69 C68 -7(2) . . . . ?
C65 C66 C67 C68 -1(2) . . . . ?
C65 C66 C67 C70 177.2(13) . . . . ?
C66 C67 C68 C69 0(2) . . . . ?
C66 C67 C70 N26 -167.3(16) . . . . ?
C67 C68 C69 C64 3(2) . . . . ?
C68 C67 C70 N26 10(2) . . . . ?
C69 C64 C65 C66 7(2) . . . . ?
C70 N26 C71 C72 123.8(18) . . . . ?
C70 C67 C68 C69 -177.4(14) . . . . ?
C71 N26 C70 C67 177.5(14) . . . . ?
C72 N28 C18 C17 -83.9(18) . . . . ?
C72 N28 C125 C124 137.0(17) . . . . ?
C73 N9 N10 Au6 169.6(7) . . . . ?
C73 N9 N10 C75 2.5(12) . . . . ?
C73 C74 C75 N10 -2.3(12) . . . . ?
C73 C74 C75 C79 179.3(12) . . . . ?
C73 C74 C82 C83 -89.1(17) . . . . ?
C73 C74 C82 C87 87.7(17) . . . . ?
C74 C73 C76 C77 54(2) . . . . ?
C74 C73 C76 C78 -79(2) . . . . ?
C74 C75 C79 C80 -50.5(19) . . . . ?
C74 C75 C79 C81 77.0(16) . . . . ?
C74 C82 C83 C84 -179.0(13) . . . . ?
C74 C82 C87 C86 -176.9(12) . . . . ?
C75 C74 C82 C83 90.7(17) . . . . ?
C75 C74 C82 C87 -92.5(15) . . . . ?
C76 C73 C74 C75 -177.6(14) . . . . ?
C76 C73 C74 C82 2(2) . . . . ?
C82 C74 C75 N10 177.8(10) . . . . ?
C82 C74 C75 C79 -1(2) . . . . ?
C82 C83 C84 C85 -5(2) . . . . ?
C83 C82 C87 C86 0.1(19) . . . . ?
C83 C84 C85 C86 2(2) . . . . ?
C83 C84 C85 C88 -175.4(14) . . . . ?
C84 C85 C86 C87 3(2) . . . . ?
C84 C85 C88 N34 -3(2) . . . . ?
C85 C86 C87 C82 -4(2) . . . . ?
C86 C85 C88 N34 179.5(12) . . . . ?
C87 C82 C83 C84 4.2(19) . . . . ?
C88 N34 C89 C90 132.5(13) . . . . ?
C88 C85 C86 C87 -179.9(12) . . . . ?
C89 N34 C88 C85 176.6(13) . . . . ?
C90 N36 C54 C53 140.5(11) . . . . ?
C90 N36 C215 C214 -83.8(12) . . . . ?
C91 N11 N12 Au4 168.1(6) . . . . ?
C91 N11 N12 C93 2.1(11) . . . . ?
C91 C92 C93 N12 3.5(14) . . . . ?
C91 C92 C93 C97 178.1(15) . . . . ?
C91 C92 C100 C101 -95.1(17) . . . . ?
C91 C92 C100 C105 82.3(17) . . . . ?
C92 C91 C94 C95 40.0(18) . . . . ?
C92 C91 C94 C96 -82.8(16) . . . . ?
C92 C93 C97 C98 71(2) . . . . ?
C92 C93 C97 C99 -43(3) . . . . ?
C92 C100 C101 C102 177.1(13) . . . . ?
C92 C100 C105 C104 -176.9(11) . . . . ?
C93 C92 C100 C101 89.1(17) . . . . ?
C93 C92 C100 C105 -93.5(16) . . . . ?
C94 C91 C92 C93 -177.0(11) . . . . ?
C94 C91 C92 C100 7(2) . . . . ?
C100 C92 C93 N12 -179.8(10) . . . . ?
C100 C92 C93 C97 -5(2) . . . . ?
C100 C101 C102 C103 -1(2) . . . . ?
C101 C100 C105 C104 0.7(18) . . . . ?
C101 C102 C103 C104 2(2) . . . . ?
C101 C102 C103 C216 -176.3(13) . . . . ?
C102 C103 C104 C105 -1.9(19) . . . . ?
C102 C103 C216 N37 7(2) . . . . ?
C103 C104 C105 C100 0.5(19) . . . . ?
C104 C103 C216 N37 -171.6(15) . . . . ?
C105 C100 C101 C102 0(2) . . . . ?
C106 N37 C216 C103 175.1(15) . . . . ?
C107 N40 C161 C160 -89.3(15) . . . . ?
C107 N40 C179 C178 144.1(13) . . . . ?
C108 N13 N14 Au8 -166.0(7) . . . . ?
C108 N13 N14 C110 0.6(11) . . . . ?
C108 C109 C110 N14 -1.4(13) . . . . ?
C108 C109 C110 C114 177.7(12) . . . . ?
C108 C109 C117 C118 -96.2(17) . . . . ?
C108 C109 C117 C122 81.3(17) . . . . ?
C109 C108 C111 C112 78.7(17) . . . . ?
C109 C108 C111 C113 -48(2) . . . . ?
C109 C110 C114 C115 -88.1(16) . . . . ?
C109 C110 C114 C116 43(2) . . . . ?
C109 C117 C118 C119 -177.9(13) . . . . ?
C109 C117 C122 C121 175.6(15) . . . . ?
C110 C109 C117 C118 83.2(19) . . . . ?
C110 C109 C117 C122 -99.2(18) . . . . ?
C111 C108 C109 C110 -177.9(13) . . . . ?
C111 C108 C109 C117 2(2) . . . . ?
C117 C109 C110 N14 179.0(12) . . . . ?
C117 C109 C110 C114 -2(2) . . . . ?
C117 C118 C119 C120 -7(2) . . . . ?
C118 C117 C122 C121 -7(2) . . . . ?
C118 C119 C120 C121 9(2) . . . . ?
C118 C119 C120 C123 176.1(13) . . . . ?
C119 C120 C121 C122 -11(2) . . . . ?
C119 C120 C123 N27 -177.4(15) . . . . ?
C120 C121 C122 C117 10(2) . . . . ?
C121 C120 C123 N27 -12(2) . . . . ?
C122 C117 C118 C119 4(2) . . . . ?
C123 N27 C124 C125 130.5(18) . . . . ?
C123 C120 C121 C122 -177.5(15) . . . . ?
C124 N27 C123 C120 177.5(13) . . . . ?
C125 N28 C18 C17 141.3(14) . . . . ?
C125 N28 C72 C71 -84.6(18) . . . . ?
C126 N15 N16 Au9 -166.8(7) . . . . ?
C126 N15 N16 C128 -3.1(12) . . . . ?
C126 C127 C128 N16 -3.5(13) . . . . ?
C126 C127 C128 C132 -172.6(13) . . . . ?
C126 C127 C135 C136 -85.9(17) . . . . ?
C126 C127 C135 C140 94.9(17) . . . . ?
C127 C126 C129 C130 -41(3) . . . . ?
C127 C126 C129 C131 84.5(19) . . . . ?
C127 C128 C132 C133 -76.9(17) . . . . ?
C127 C128 C132 C134 45(2) . . . . ?
C127 C135 C136 C137 178.4(12) . . . . ?
C127 C135 C140 C139 -177.9(12) . . . . ?
C128 C127 C135 C136 84.6(15) . . . . ?
C128 C127 C135 C140 -94.7(15) . . . . ?
C129 C126 C127 C128 -176.4(14) . . . . ?
C129 C126 C127 C135 -5(2) . . . . ?
C135 C127 C128 N16 -175.4(10) . . . . ?
C135 C127 C128 C132 15(2) . . . . ?
C135 C136 C137 C138 3.5(19) . . . . ?
C136 C135 C140 C139 3(2) . . . . ?
C136 C137 C138 C139 -5.0(19) . . . . ?
C136 C137 C138 C141 178.3(12) . . . . ?
C137 C138 C139 C140 6(2) . . . . ?
C137 C138 C141 N30 -179.8(12) . . . . ?
C138 C139 C140 C135 -5(2) . . . . ?
C139 C138 C141 N30 4(2) . . . . ?
C140 C135 C136 C137 -2.4(19) . . . . ?
C141 N30 C142 C143 118.3(11) . . . . ?
C141 C138 C139 C140 -177.9(12) . . . . ?
C142 N30 C141 C138 -178.7(11) . . . . ?
C143 N32 C36 C35 -87.1(13) . . . . ?
C143 N32 C194 C193 150.7(9) . . . . ?
C144 N17 N18 Au7 -165.4(8) . . . . ?
C144 N17 N18 C146 1.5(14) . . . . ?
C144 C145 C146 N18 -0.2(16) . . . . ?
C144 C145 C146 C150 -174.2(15) . . . . ?
C144 C145 C153 C154 -104.2(16) . . . . ?
C144 C145 C153 C158 79(2) . . . . ?
C145 C144 C147 C148 -111.5(18) . . . . ?
C145 C144 C147 C149 100.9(17) . . . . ?
C145 C146 C150 C151 -84(2) . . . . ?
C145 C146 C150 C152 48(3) . . . . ?
C145 C153 C154 C155 179.5(13) . . . . ?
C145 C153 C158 C157 178.3(15) . . . . ?
C146 C145 C153 C154 79(2) . . . . ?
C146 C145 C153 C158 -98(2) . . . . ?
C147 C144 C145 C146 174.5(14) . . . . ?
C147 C144 C145 C153 -3(2) . . . . ?
C153 C145 C146 N18 176.9(12) . . . . ?
C153 C145 C146 C150 3(3) . . . . ?
C153 C154 C155 C156 7(2) . . . . ?
C154 C153 C158 C157 1(3) . . . . ?
C154 C155 C156 C157 -9(3) . . . . ?
C154 C155 C156 C159 174.5(15) . . . . ?
C155 C156 C157 C158 7(3) . . . . ?
C155 C156 C159 N38 -179.4(18) . . . . ?
C156 C157 C158 C153 -3(3) . . . . ?
C157 C156 C159 N38 4(3) . . . . ?
C158 C153 C154 C155 -3(2) . . . . ?
C159 N38 C160 C161 126.1(18) . . . . ?
C159 C156 C157 C158 -176.4(16) . . . . ?
C160 N38 C159 C156 -178.6(15) . . . . ?
C161 N40 C107 C106 147.0(15) . . . . ?
C161 N40 C179 C178 -89.3(14) . . . . ?
C162 N19 N20 Au11 -170.7(7) . . . . ?
C162 N19 N20 C164 5.3(12) . . . . ?
C162 C163 C164 N20 1.7(15) . . . . ?
C162 C163 C164 C168 173.3(12) . . . . ?
C162 C163 C171 C172 90.0(16) . . . . ?
C162 C163 C171 C176 -91.0(15) . . . . ?
C163 C162 C165 C166 76.4(18) . . . . ?
C163 C162 C165 C167 -50.9(19) . . . . ?
C163 C164 C168 C169 -98.0(16) . . . . ?
C163 C164 C168 C170 133.1(14) . . . . ?
C163 C171 C172 C173 179.6(11) . . . . ?
C163 C171 C176 C175 -175.5(10) . . . . ?
C164 C163 C171 C172 -98.8(15) . . . . ?
C164 C163 C171 C176 80.2(17) . . . . ?
C165 C162 C163 C164 179.7(13) . . . . ?
C165 C162 C163 C171 -7(2) . . . . ?
C171 C163 C164 N20 -171.0(11) . . . . ?
C171 C163 C164 C168 1(2) . . . . ?
C171 C172 C173 C174 -5(2) . . . . ?
C172 C171 C176 C175 3.5(17) . . . . ?
C172 C173 C174 C175 5(2) . . . . ?
C172 C173 C174 C177 179.6(13) . . . . ?
C173 C174 C175 C176 -0.8(19) . . . . ?
C173 C174 C177 N39 6(2) . . . . ?
C174 C175 C176 C171 -3.3(18) . . . . ?
C175 C174 C177 N39 -179.2(12) . . . . ?
C176 C171 C172 C173 0.6(17) . . . . ?
C177 N39 C178 C179 122.0(14) . . . . ?
C177 C174 C175 C176 -175.9(11) . . . . ?
C178 N39 C177 C174 177.7(11) . . . . ?
C179 N40 C107 C106 -87.7(17) . . . . ?
C179 N40 C161 C160 143.2(12) . . . . ?
C180 N21 N22 Au12 -159.2(6) . . . . ?
C180 N21 N22 C182 -1.0(10) . . . . ?
C180 C181 C182 N22 2.9(10) . . . . ?
C180 C181 C182 C183 -179.3(9) . . . . ?
C180 C181 C186 C187 89.7(13) . . . . ?
C180 C181 C186 C191 -89.4(13) . . . . ?
C181 C180 C195 C196 -51.5(16) . . . . ?
C181 C180 C195 C197 80.4(13) . . . . ?
C181 C182 C183 C184 -65.8(14) . . . . ?
C181 C182 C183 C185 59.5(14) . . . . ?
C181 C186 C187 C188 -178.8(10) . . . . ?
C181 C186 C191 C190 175.5(9) . . . . ?
C182 C181 C186 C187 -87.8(14) . . . . ?
C182 C181 C186 C191 93.1(13) . . . . ?
C186 C181 C182 N22 -179.2(9) . . . . ?
C186 C181 C182 C183 -1.5(17) . . . . ?
C186 C187 C188 C189 2.3(18) . . . . ?
C187 C186 C191 C190 -3.6(16) . . . . ?
C187 C188 C189 C190 -1.2(18) . . . . ?
C187 C188 C189 C192 -176.9(11) . . . . ?
C188 C189 C190 C191 -2.3(17) . . . . ?
C188 C189 C192 N31 -1.1(18) . . . . ?
C189 C190 C191 C186 4.8(17) . . . . ?
C190 C189 C192 N31 -176.6(12) . . . . ?
C191 C186 C187 C188 0.3(16) . . . . ?
C192 N31 C193 C194 120.2(13) . . . . ?
C192 C189 C190 C191 173.3(10) . . . . ?
C193 N31 C192 C189 -175.7(10) . . . . ?
C194 N32 C36 C35 145.4(12) . . . . ?
C194 N32 C143 C142 -90.7(11) . . . . ?
C195 C180 C181 C182 -177.0(10) . . . . ?
C195 C180 C181 C186 5.0(17) . . . . ?
C198 N23 N24 Au10 -176.1(6) . . . . ?
C198 N23 N24 C200 -0.9(11) . . . . ?
C198 C199 C200 N24 -0.2(12) . . . . ?
C198 C199 C200 C204 -173.0(11) . . . . ?
C198 C199 C207 C208 -130.1(11) . . . . ?
C198 C199 C207 C212 52.8(15) . . . . ?
C199 C198 C201 C202 -117.7(13) . . . . ?
C199 C198 C201 C203 104.7(14) . . . . ?
C199 C200 C204 C205 116.0(13) . . . . ?
C199 C200 C204 C206 -118.0(12) . . . . ?
C199 C207 C208 C209 -176.4(9) . . . . ?
C199 C207 C212 C211 176.3(8) . . . . ?
C200 C199 C207 C208 52.1(15) . . . . ?
C200 C199 C207 C212 -124.9(11) . . . . ?
C201 C198 C199 C200 -177.2(11) . . . . ?
C201 C198 C199 C207 4.7(18) . . . . ?
C207 C199 C200 N24 178.0(10) . . . . ?
C207 C199 C200 C204 5.1(18) . . . . ?
C207 C208 C209 C210 2.0(15) . . . . ?
C208 C207 C212 C211 -0.8(14) . . . . ?
C208 C209 C210 C211 -4.3(15) . . . . ?
C208 C209 C210 C213 179.4(9) . . . . ?
C209 C210 C211 C212 4.1(15) . . . . ?
C209 C210 C213 N35 -174.0(10) . . . . ?
C210 C211 C212 C207 -1.6(15) . . . . ?
C211 C210 C213 N35 9.9(16) . . . . ?
C212 C207 C208 C209 0.6(15) . . . . ?
C213 N35 C214 C215 128.3(12) . . . . ?
C213 C210 C211 C212 -179.7(9) . . . . ?
C214 N35 C213 C210 -178.9(10) . . . . ?
C215 N36 C54 C53 -88.6(12) . . . . ?
C215 N36 C90 C89 142.6(11) . . . . ?
C216 N37 C106 C107 111.1(18) . . . . ?
C216 C103 C104 C105 176.7(13) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 2010 electrons were 
found in a volume of 7652Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
10[C2Cl4], 2.75[C2Cl4] per Asymmetric Unit 
which account for 2040 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.517 -0.831 -0.387 5701.7 1575.5 '20 C2Cl4'
2 0.275 0.577 0.336 974.6 216.8 '2.75 C2Cl4'
3 -0.275 0.423 0.664 974.6 240.2 '2.75 C2Cl4'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 5.130
_oxdiff_exptl_absorpt_empirical_full_min 0.411
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne0253
_database_code_depnum_ccdc_archive 'CCDC 2309725'
loop_
_audit_author_name
_audit_author_address
'Rosario Scopelliti'
;EPFL
Switzerland
;
_audit_update_record             
;
2023-11-22 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2023-10-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C216 H276 Au12 N40, 2(C Cl3 D), C60, 2[CDCl3]'
_chemical_formula_sum            'C280 H276 Au12 Cl12 D4 N40'
_chemical_formula_weight         6998.45
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C300 H300 N40 Au12'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
D D 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   22.16590(19)
_cell_length_b                   24.2178(2)
_cell_length_c                   26.9851(2)
_cell_angle_alpha                91.9058(7)
_cell_angle_beta                 104.0920(8)
_cell_angle_gamma                94.9457(7)
_cell_volume                     13975.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    93630
_cell_measurement_temperature    140.15
_cell_measurement_theta_max      74.0180
_cell_measurement_theta_min      2.5520
_shelx_estimated_absorpt_T_max   0.177
_shelx_estimated_absorpt_T_min   0.042
_exptl_absorpt_coefficient_mu    13.022
_exptl_absorpt_correction_T_max  0.599
_exptl_absorpt_correction_T_min  0.009
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear intense red'
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             6784
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -1 0 0.1230
1 2 1 0.2868
1 -1 2 0.2038
2 14 -8 0.2605
7 3 12 0.2458
0 -1 1 0.2043
-2 -14 8 0.2081
-1 -1 2 0.2510
-1 -1 1 0.2453
-6 -5 16 0.2470
0 2 17 0.2573
5 6 12 0.2523
1 1 -1 0.2793
-13 1 10 0.2047
-13 2 11 0.2027
1 10 12 0.2279
-14 -2 7 0.2250
13 -1 -10 0.1958
-12 9 2 0.0953
-10 12 4 0.1182
-2 1 0 0.1248
9 -12 4 0.1093
-9 12 -4 0.1227
-2 1 -1 0.1462
2 -1 1 0.1775
-5 0 -15 0.2090
1 0 -2 0.2029
2 -1 -2 0.1601
2 -10 -13 0.2518
2 -2 -1 0.1133
9 -13 -2 0.1006
-12 9 0 0.0872
-10 12 2 0.0904
13 -5 2 0.1804
9 -13 -3 0.0975

_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.489
_exptl_crystal_size_min          0.203
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0016 -1.0016 -0.0008 0.0874 -0.0262 -0.0086
1.0014 2.0041 0.9998 -0.0360 0.0011 -0.1690
1.0026 -1.0019 2.0002 0.1268 0.0630 -0.0751
1.9061 13.9251 -8.4464 -0.7534 -0.5176 -0.4055
7.3632 2.8957 11.6438 0.3831 0.2676 -0.8841
0.0007 -1.0021 1.0004 0.0674 0.0504 0.0091
-1.9845 -13.9647 8.3300 0.7499 0.5152 0.4151
-1.0001 -1.0026 2.0016 0.0474 0.1269 0.0269
-1.0006 -1.0025 1.0012 0.0277 0.0823 0.0601
-5.6511 -4.8909 16.4567 0.3319 0.9419 -0.0519
0.4806 2.0156 16.5375 0.2480 0.7102 -0.6589
4.6872 6.3822 12.4279 0.1262 0.3677 -0.9213
1.0006 1.0025 -1.0012 -0.0277 -0.0823 -0.0601
-13.4464 0.5108 10.0121 -0.3613 0.8719 0.3306
-12.7844 1.9901 11.4776 -0.3766 0.9076 0.1857
0.5340 9.8126 12.4024 -0.2024 0.4791 -0.8541
-13.8717 -1.8359 7.2529 -0.3206 0.7760 0.5432
13.3939 -0.6589 -10.1684 0.3632 -0.8763 -0.3165
-12.2603 9.2765 1.9415 -0.8902 0.4237 0.1675
-9.8511 12.2186 4.0521 -0.8932 0.4240 -0.1497
-2.0029 1.0012 0.0015 -0.1271 0.0581 0.0596
8.6227 -12.1019 4.0374 0.9978 -0.0250 -0.0613
-8.8005 11.8492 -4.1965 -0.9960 0.0250 0.0864
-2.0034 1.0014 -0.9990 -0.1468 0.0135 0.0928
2.0034 -1.0014 0.9990 0.1468 -0.0135 -0.0928
-4.7563 -0.0306 -14.5615 -0.4734 -0.4973 0.7271
1.0004 0.0007 -2.0017 0.0003 -0.1211 0.0155
2.0019 -1.0009 -2.0024 0.0878 -0.1473 0.0069
2.1879 -10.1486 -12.8927 0.3168 -0.5858 0.7460
2.0026 -2.0030 -1.0020 0.1552 -0.0969 0.0160
9.3798 -12.7567 -2.3419 0.9337 -0.3297 0.1397
-12.1271 8.9713 -0.2626 -0.9136 0.3230 0.2468
-10.3018 11.8813 1.6278 -0.9426 0.3323 -0.0320
13.0026 -5.3117 2.1527 0.8113 -0.2878 -0.5090
8.9783 -13.0668 -2.6197 0.9271 -0.3275 0.1824

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            204256
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.971
_diffrn_reflns_theta_min         2.323
_diffrn_ambient_temperature      140.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     41.00  67.00   0.50    0.20    --   78.10-125.00-150.00   52
  2  ω     35.00  91.00   0.50    0.20    --   66.21-125.00 -30.00  112
  3  ω     38.00  95.00   0.50    0.20    --   69.48-125.00   0.00  114
  4  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 -30.00   50
  5  ω     79.00 104.00   0.50    0.20    --   78.10-125.00  30.00   50
  6  ω     80.00 105.00   0.50    0.20    --   78.10-125.00  90.00   50
  7  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 120.00   50
  8  ω     37.00  71.00   0.50    0.20    --   78.10-125.00 150.00   68
  9  ω     48.00  73.00   0.50    0.20    --   78.10-125.00 120.00   50
 10  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 150.00   50
 11  ω     44.00  71.00   0.50    0.20    --   78.10-125.00  90.00   54
 12  ω     41.00  67.00   0.50    0.20    --   74.78-117.00 -18.06   52
 13  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 -60.00   50
 14  ω     54.00 105.00   0.50    0.20    --   78.10-125.00-120.00  102
 15  ω     80.00 105.00   0.50    0.20    --   78.10-125.00-150.00   50
 16  ω     33.00  63.00   0.50    0.20    --   69.48 -95.00 -90.00   60
 17  ω     28.00  55.00   0.50    0.20    --   66.21 -95.00   0.00   54
 18  ω     35.00  76.00   0.50    0.20    --   69.48 -95.00  30.00   82
 19  ω     44.00  75.00   0.50    0.20    --   66.21 -95.00  60.00   62
 20  ω     37.00  69.00   0.50    0.20    --   66.21 -95.00 150.00   64
 21  ω     42.00  78.00   0.50    0.20    --   69.48 -95.00 120.00   72
 22  ω     35.00  64.00   0.50    0.20    --   69.48 -95.00  90.00   58
 23  ω     28.00  53.00   0.50    0.20    --   66.21 -95.00-120.00   50
 24  ω     34.00  62.00   0.50    0.20    --   69.48 -95.00-180.00   56
 25  ω     52.00 121.00   0.50    0.20    --   78.10  15.00-150.00  138
 26  ω     61.00 123.00   0.50    0.20    --   78.10  15.00 -90.00  124
 27  ω     54.00  80.00   0.50    0.20    --   69.48  15.00  30.00   52
 28  ω     81.00 106.00   0.50    0.20    --   69.48  15.00  30.00   50
 29  ω     61.00 123.00   0.50    0.20    --   78.10  15.00   0.00  124
 30  ω     61.00  98.00   0.50    0.20    --   78.10  15.00 -30.00   74
 31  ω     49.00 106.00   0.50    0.20    --   78.10  15.00  90.00  114
 32  ω     55.00 107.00   0.50    0.20    --   66.21  15.00 120.00  104
 33  ω    -91.00 -45.00   0.50    0.20    --  -66.84 -15.00  60.00   92
 34  ω   -103.00 -73.00   0.50    0.20    --  -69.31   0.00  90.00   60
 35  ω   -103.00 -72.00   0.50    0.20    --  -66.84   0.00   0.00   62
 36  ω   -106.00 -75.00   0.50    0.20    --  -69.31   0.00-120.00   62
 37  ω   -103.00 -74.00   0.50    0.20    --  -66.84   0.00-150.00   58
 38  ω   -107.00 -72.00   0.50    0.20    --  -69.31   0.00 -60.00   70
 39  ω   -105.00 -72.00   0.50    0.20    --  -69.31   0.00 150.00   66
 40  ω    -66.00 -38.00   0.50    0.20    --  -74.78 145.00  38.83   56
 41  ω   -112.00 -43.00   0.50    0.20    --  -74.78 140.00 114.13  138
 42  ω   -114.00 -87.00   0.50    0.20    --  -74.78 145.00  38.83   54
 43  ω   -112.00 -49.00   0.50    0.20    --  -74.78 140.00 -59.94  126
 44  ω   -112.00 -51.00   0.50    0.20    --  -74.78 142.00-172.76  122
 45  ω    -87.00 -31.00   0.50    0.20    --  -69.31 125.00-180.00  112
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0396861000
_diffrn_orient_matrix_UB_12      -0.0476195000
_diffrn_orient_matrix_UB_13      0.0196454000
_diffrn_orient_matrix_UB_21      -0.0318717000
_diffrn_orient_matrix_UB_22      -0.0057748000
_diffrn_orient_matrix_UB_23      0.0445729000
_diffrn_orient_matrix_UB_31      -0.0509227000
_diffrn_orient_matrix_UB_32      -0.0422943000
_diffrn_orient_matrix_UB_33      -0.0332092000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                46601
_reflns_number_total             54774
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.366
_refine_diff_density_min         -2.133
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3131
_refine_ls_number_reflns         54774
_refine_ls_number_restraints     7430
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0598
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0941P)²+48.5570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1644
_refine_ls_wR_factor_ref         0.1693
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C204-C205
 1.5 with sigma of 0.02
 C119-C118 = C120-C118
 1.54 with sigma of 0.02
 N34-C204 = N31-C181 = N33-C186
 1.28 with sigma of 0.02
 C120-C119
 2.5 with sigma of 0.02
 C187-C186
 1.5 with sigma of 0.01
 C11-C10
 2.5 with sigma of 0.02
 C346-C336 \\sim C338-C336 \\sim C336-C326 \\sim C326-C318 \\sim C328-C318
\\sim C338-C328 \\sim C348-
 C338 \\sim C356-C348 \\sim C348-C343 \\sim C343-C333 \\sim C333-C323 \\sim
C328-C323 \\sim C315-C307 ~
 C323-C315 \\sim C324-C315 \\sim C334-C324 \\sim C344-C334 \\sim C334-C333
\\sim C351-C343 \\sim C352-
 C351 \\sim C352-C344 \\sim C353-C352 \\sim C353-C345 \\sim C345-C335 \\sim
C335-C325 \\sim C342-C332 ~
 C332-C322 \\sim C332-C321 \\sim C331-C321 \\sim C321-C313 \\sim C313-C306
\\sim C313-C311 \\sim C319-
 C311 \\sim C329-C319 \\sim C331-C329 \\sim C339-C329 \\sim C341-C331 \\sim
C350-C341 \\sim C342-C341 ~
 C358-C353 \\sim C360-C358 \\sim C360-C357 \\sim C360-C359 \\sim C359-C351
\\sim C330-C319 \\sim C340-
 C330 \\sim C357-C349 \\sim C350-C349 \\sim C358-C350 \\sim C314-C306 \\sim
C306-C303 \\sim C303-C301 ~
 C312-C301 \\sim C320-C312 \\sim C347-C340 \\sim C355-C347 \\sim C347-C337
\\sim C346-C337 \\sim C355-
 C354 \\sim C354-C346 \\sim C356-C354 \\sim C357-C355 \\sim C309-C305 \\sim
C312-C309 \\sim C359-C356 ~
 C310-C305 \\sim C305-C302 \\sim C304-C302 \\sim C303-C302 \\sim C349-C339
\\sim C340-C339 \\sim C330-
 C320 \\sim C327-C320 \\sim C337-C327 \\sim C327-C317 \\sim C317-C309 \\sim
C326-C317 \\sim C318-C310 ~
 C310-C307 \\sim C307-C304 \\sim C308-C304 \\sim C314-C308 \\sim C322-C314
\\sim C325-C322 \\sim C316-
 C308 \\sim C325-C316 \\sim C324-C316 \\sim C344-C335 \\sim C345-C342 \\sim
C311-C301
 with sigma of 0.01
 C8-C4 \\sim C5-C4 \\sim C6-C4 \\sim C7-C4 \\sim C9-C10 \\sim C9-C12
 with sigma of 0.02
 C5-C6 \\sim C8-C7
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C57) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C171) \\sim Ueq, Uanis(C186) \\sim Ueq, Uanis(Au16) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C119) \\sim Ueq, Uanis(Cl4) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(Au18) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(H4B)=Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)=
 Sof(H8C)=1-FVAR(1)
 Sof(H4A)=Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=Sof(C6)=Sof(H6A)=Sof(H6B)=
 Sof(H6C)=FVAR(1)
 Sof(H9B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=1-FVAR(2)
 Sof(H9A)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(2)
 Sof(Au14)=Sof(Au15)=Sof(Au13)=1-FVAR(3)
 Sof(Au7)=Sof(Au8)=Sof(Au9)=FVAR(3)
 Sof(Au17)=Sof(Au16)=Sof(Au18)=1-FVAR(4)
 Sof(Au10)=Sof(Au11)=Sof(Au12)=FVAR(4)
 Sof(Au19)=Sof(Au20)=Sof(Au21)=1-FVAR(5)
 Sof(Au4)=Sof(Au5)=Sof(Au6)=FVAR(5)
 Sof(Au22)=Sof(Au23)=Sof(Au24)=1-FVAR(6)
 Sof(Au1)=Sof(Au2)=Sof(Au3)=FVAR(6)
6.a Ternary CH refined with riding coordinates:
 C4(H4A), C4(H4B), C9(H9A), C9(H9B), C34(H34), C38(H38), C52(H52), C55(H55),
 C61(H61), C64(H64), C88(H88), C91(H91), C106(H106), C109(H109), C115(H115),
 C118(H118), C142(H142), C145(H145), C160(H160), C163(H163), C169(H169),
 C172(H172), C196(H196), C199(H199), C214(H214), C217(H217), C361(D361),
 C362(D362)
6.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C40(H40A,
 H40B), C41(H41A,H41B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B),
 C77(H77A,H77B), C94(H94A,H94B), C95(H95A,H95B), C128(H12G,H12H), C129(H12I,
 H12J), C130(H13A,H13B), C131(H13C,H13D), C148(H14M,H14N), C149(H14O,H14P),
 C182(H18A,H18B), C183(H18C,H18D), C184(H18E,H18F), C185(H18G,H18H), C202(H20I,
 H20J), C203(H20K,H20L)
6.c Me refined with riding coordinates:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
6.d Aromatic/amide H refined with riding coordinates:
 C18(H18), C17(H17), C15(H15), C14(H14), C19(H19), C24(H24), C27(H27),
 C26(H26), C30(H30), C29(H29), C42(H42), C300(H300), C48(H48), C44(H44),
 C45(H45), C68(H68), C69(H69), C71(H71), C72(H72), C73(H73), C78(H78), C80(H80),
  C81(H81), C83(H83), C84(H84), C96(H96), C98(H98), C99(H99), C101(H101),
 C102(H102), C126(H126), C125(H125), C123(H123), C122(H122), C127(H127),
 C132(H132), C134(H134), C135(H135), C137(H137), C138(H138), C150(H150),
 C152(H152), C153(H153), C155(H155), C156(H156), C180(H180), C179(H179),
 C177(H177), C176(H176), C181(H181), C186(H186), C191(H191), C192(H192),
 C188(H188), C189(H189), C204(H204), C209(H209), C210(H210), C206(H206),
 C207(H207)
6.e Fitted hexagon refined as free rotating group:
 C13(C18,C17,C16,C15,C14), C28(C27,C26,C25,C30,C29), C46(C300,C48,C43,C44,C45),
  C121(C126,C125,C124,C123,C122), C175(C180,C179,C178,C177,C176), C190(C191,
 C192,C187,C188,C189), C208(C209,C210,C205,C206,C207)
6.f Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C12(H12A,
 H12B,H12C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C),
 C39(H39A,H39B,H39C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C56(H56A,H56B,
 H56C), C57(H57A,H57B,H57C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C65(H65A,
 H65B,H65C), C66(H66A,H66B,H66C), C89(H89A,H89B,H89C), C90(H90A,H90B,H90C),
 C92(H92A,H92B,H92C), C93(H93A,H93B,H93C), C107(H10D,H10E,H10F), C108(H10G,H10H,
 H10I), C110(H11D,H11E,H11F), C111(H11G,H11H,H11I), C116(H11J,H11K,H11L),
 C117(H11M,H11N,H11O), C119(H11P,H11Q,H11R), C120(H12D,H12E,H12F), C143(H14A,
 H14B,H14C), C144(H14D,H14E,H14F), C146(H14G,H14H,H14I), C147(H14J,H14K,H14L),
 C161(H16A,H16B,H16C), C162(H16D,H16E,H16F), C164(H16G,H16H,H16I), C165(H16J,
 H16K,H16L), C170(H17A,H17B,H17C), C171(H17D,H17E,H17F), C173(H17G,H17H,H17I),
 C174(H17J,H17K,H17L), C197(H19A,H19B,H19C), C198(H19D,H19E,H19F), C200(H20C,
 H20D,H20E), C201(H20F,H20G,H20H), C215(H21C,H21D,H21E), C216(H21F,H21G,H21H),
 C218(H21I,H21J,H21K), C219(H21L,H21M,H21N)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.43260(5) 0.60759(6) 0.36334(6) 0.0485(6) Uani 0.602(19) 1 d . . P A 1
Au2 Au 0.49816(5) 0.70107(6) 0.45962(6) 0.0497(6) Uani 0.602(19) 1 d . . P A 1
Au3 Au 0.54736(5) 0.57555(6) 0.46105(6) 0.0471(6) Uani 0.602(19) 1 d . . P A 1
Au4 Au 0.50488(6) 0.71613(5) 0.07462(6) 0.0347(6) Uani 0.513(19) 1 d . . P B 1
Au5 Au 0.61851(5) 0.81411(5) 0.07125(6) 0.0337(7) Uani 0.513(19) 1 d . . P B 1
Au6 Au 0.63840(4) 0.67903(5) 0.05472(5) 0.0331(7) Uani 0.513(19) 1 d . . P B 1
Au7 Au 0.78751(4) 0.99927(4) 0.31432(4) 0.0471(4) Uani 0.717(10) 1 d . . P C 1
Au8 Au 0.78804(4) 0.96970(4) 0.43510(4) 0.0473(4) Uani 0.717(10) 1 d . . P C 1
Au9 Au 0.91393(4) 0.95369(4) 0.39032(4) 0.0457(4) Uani 0.717(10) 1 d . . P C 1
Au10 Au 0.93051(4) 0.54862(4) 0.24209(4) 0.0582(3) Uani 0.783(6) 1 d . . P D 1
Au11 Au 0.99146(5) 0.62185(3) 0.35232(4) 0.0578(3) Uani 0.783(6) 1 d . . P D 1
Au12 Au 0.89277(4) 0.50669(4) 0.34706(4) 0.0537(3) Uani 0.783(6) 1 d . . P D 1
N1 N 0.4033(3) 0.6840(3) 0.3630(3) 0.0633(15) Uani 1 1 d . . . . .
N2 N 0.4291(4) 0.7214(3) 0.4020(3) 0.0649(16) Uani 1 1 d . . . . .
N3 N 0.5696(3) 0.6842(3) 0.5157(3) 0.0627(15) Uani 1 1 d . . . . .
N4 N 0.5902(3) 0.6318(3) 0.5162(3) 0.0623(15) Uani 1 1 d . . . . .
N5 N 0.5084(3) 0.5198(3) 0.4034(3) 0.0585(13) Uani 1 1 d . . . . .
N6 N 0.4637(3) 0.5336(3) 0.3632(3) 0.0604(14) Uani 1 1 d . . . . .
N7 N 0.4922(3) 0.7956(3) 0.0863(3) 0.0515(13) Uani 1 1 d . . . . .
N8 N 0.5394(3) 0.8366(3) 0.0849(2) 0.0498(12) Uani 1 1 d . . . . .
N9 N 0.6966(3) 0.7920(3) 0.0559(3) 0.0541(13) Uani 1 1 d . . . . .
N10 N 0.7011(3) 0.7373(3) 0.0422(3) 0.0563(14) Uani 1 1 d . . . . .
N11 N 0.5755(3) 0.6205(3) 0.0684(2) 0.0497(12) Uani 1 1 d . . . . .
N12 N 0.5169(3) 0.6361(3) 0.0685(2) 0.0477(12) Uani 1 1 d . . . . .
N13 N 0.7101(3) 1.0035(3) 0.3393(3) 0.0648(16) Uani 1 1 d . . . . .
N14 N 0.7114(3) 0.9965(3) 0.3887(3) 0.0621(15) Uani 1 1 d . . . . .
N15 N 0.8622(3) 0.9399(3) 0.4799(3) 0.0548(13) Uani 1 1 d . . . . .
N16 N 0.9111(3) 0.9293(3) 0.4601(3) 0.0563(13) Uani 1 1 d . . . . .
N17 N 0.9159(3) 0.9781(3) 0.3192(3) 0.0637(15) Uani 1 1 d . . . . .
N18 N 0.8647(3) 0.9962(3) 0.2892(3) 0.0590(14) Uani 1 1 d . . . . .
N19 N 0.2155(5) 0.9621(4) 0.2257(4) 0.109(3) Uani 1 1 d . . . . .
N20 N 0.2259(3) 1.0904(3) 0.2175(3) 0.0670(14) Uani 1 1 d . . . . .
N21 N 0.2939(4) 1.0825(3) 0.1283(3) 0.0695(18) Uani 1 1 d . . . . .
N22 N 0.3401(4) 1.1083(4) 0.3121(4) 0.083(2) Uani 1 1 d . . . . .
N23 N 0.8869(4) 0.7567(4) 0.7791(3) 0.0743(19) Uani 1 1 d . . . . .
N24 N 1.0196(4) 0.7170(4) 0.8145(3) 0.0718(16) Uani 1 1 d . . . . .
N25 N 1.0812(4) 0.7849(4) 0.7414(3) 0.088(2) Uani 1 1 d . . . . .
N26 N 0.9776(5) 0.6129(4) 0.7390(4) 0.088(2) Uani 1 1 d . . . . .
N27 N 0.4980(4) 0.2126(4) 0.2265(4) 0.081(2) Uani 1 1 d . . . . .
N28 N 0.4721(4) 0.1792(3) 0.1084(3) 0.0679(15) Uani 1 1 d . . . . .
N29 N 0.5862(4) 0.2324(4) 0.0671(3) 0.0728(18) Uani 1 1 d . . . . .
N30 N 0.4118(3) 0.2857(3) 0.0849(3) 0.0703(18) Uani 1 1 d . . . . .
N31 N 1.0387(4) 0.8490(4) -0.0465(3) 0.0755(19) Uani 1 1 d D . . . .
N32 N 1.1553(3) 0.9254(3) 0.0108(3) 0.0639(14) Uani 1 1 d . . . . .
N33 N 1.0800(4) 1.0139(5) 0.0577(4) 0.092(2) Uani 1 1 d D . . . .
N34 N 1.2033(5) 0.8525(5) 0.1057(4) 0.101(3) Uani 1 1 d D . . . .
N35 N 0.9939(4) 0.6135(4) 0.2461(4) 0.0766(18) Uani 1 1 d . . . . .
N36 N 0.9635(4) 0.6005(3) 0.4152(4) 0.0743(18) Uani 1 1 d . . . . .
N37 N 0.8646(3) 0.4862(3) 0.2376(3) 0.0729(17) Uani 1 1 d . . . . .
N38 N 0.8522(3) 0.4660(3) 0.2814(3) 0.0709(16) Uani 1 1 d . . . . .
N39 N 0.9288(4) 0.5509(3) 0.4146(4) 0.0710(16) Uani 1 1 d . . . . .
N40 N 1.0189(4) 0.6437(4) 0.2903(4) 0.0780(19) Uani 1 1 d . . . . .
C1 C 0.3624(4) 0.7085(4) 0.3276(4) 0.0716(19) Uani 1 1 d . . . . .
C2 C 0.3606(4) 0.7622(4) 0.3445(4) 0.0688(17) Uani 1 1 d . . . . .
C3 C 0.4048(5) 0.7693(4) 0.3919(4) 0.072(2) Uani 1 1 d . . . . .
C4 C 0.3259(5) 0.6776(5) 0.2784(4) 0.084(2) Uani 1 1 d D . . . .
H4A H 0.342013 0.640295 0.282289 0.101 Uiso 0.53(3) 1 calc R U P E 1
H4B H 0.298346 0.705471 0.260989 0.101 Uiso 0.47(3) 1 calc R U P E 2
C5 C 0.3370(12) 0.6925(12) 0.2270(7) 0.096(7) Uani 0.53(3) 1 d D . P E 1
H5A H 0.315147 0.724992 0.215297 0.145 Uiso 0.53(3) 1 calc R U P E 1
H5B H 0.321143 0.661114 0.202014 0.145 Uiso 0.53(3) 1 calc R U P E 1
H5C H 0.381904 0.701074 0.230412 0.145 Uiso 0.53(3) 1 calc R U P E 1
C6 C 0.2567(8) 0.6634(14) 0.2762(9) 0.100(8) Uani 0.53(3) 1 d D . P E 1
H6A H 0.252355 0.650697 0.309347 0.150 Uiso 0.53(3) 1 calc R U P E 1
H6B H 0.239039 0.633898 0.249539 0.150 Uiso 0.53(3) 1 calc R U P E 1
H6C H 0.234345 0.696443 0.268215 0.150 Uiso 0.53(3) 1 calc R U P E 1
C7 C 0.2807(12) 0.6314(10) 0.2858(12) 0.097(7) Uani 0.47(3) 1 d D . P E 2
H7A H 0.303552 0.602875 0.305054 0.145 Uiso 0.47(3) 1 calc R U P E 2
H7B H 0.256367 0.615298 0.252420 0.145 Uiso 0.47(3) 1 calc R U P E 2
H7C H 0.252474 0.645747 0.304943 0.145 Uiso 0.47(3) 1 calc R U P E 2
C8 C 0.3666(11) 0.6680(12) 0.2429(9) 0.090(6) Uani 0.47(3) 1 d D . P E 2
H8A H 0.390826 0.702875 0.239604 0.134 Uiso 0.47(3) 1 calc R U P E 2
H8B H 0.340547 0.654350 0.209200 0.134 Uiso 0.47(3) 1 calc R U P E 2
H8C H 0.395186 0.640356 0.256564 0.134 Uiso 0.47(3) 1 calc R U P E 2
C9 C 0.4229(6) 0.8175(5) 0.4314(5) 0.094(3) Uani 1 1 d D . . . .
H9A H 0.453660 0.806174 0.462128 0.113 Uiso 0.43(4) 1 calc R U P F 1
H9B H 0.464108 0.804744 0.448906 0.113 Uiso 0.57(4) 1 calc R U P F 2
C10 C 0.3632(14) 0.8322(14) 0.4469(19) 0.127(10) Uani 0.43(4) 1 d D . P F 1
H10A H 0.344197 0.799455 0.459764 0.190 Uiso 0.43(4) 1 calc R U P F 1
H10B H 0.374218 0.862233 0.473671 0.190 Uiso 0.43(4) 1 calc R U P F 1
H10C H 0.333493 0.844249 0.416969 0.190 Uiso 0.43(4) 1 calc R U P F 1
C11 C 0.4499(9) 0.8684(7) 0.4121(7) 0.153(6) Uani 1 1 d D . . . .
H11A H 0.464663 0.858324 0.381887 0.229 Uiso 1 1 calc R U . . .
H11B H 0.417867 0.894222 0.402869 0.229 Uiso 1 1 calc R U . . .
H11C H 0.485087 0.886087 0.438868 0.229 Uiso 1 1 calc R U . . .
C12 C 0.3945(17) 0.8109(12) 0.4761(10) 0.118(10) Uani 0.57(4) 1 d D . P F 2
H12A H 0.359736 0.834070 0.472523 0.178 Uiso 0.57(4) 1 calc R U P F 2
H12B H 0.426207 0.822504 0.507788 0.178 Uiso 0.57(4) 1 calc R U P F 2
H12C H 0.379112 0.771955 0.477250 0.178 Uiso 0.57(4) 1 calc R U P F 2
C13 C 0.3229(3) 0.8055(3) 0.3171(3) 0.074(2) Uani 1 1 d G . . . .
C18 C 0.3453(3) 0.8401(3) 0.2841(3) 0.084(3) Uani 1 1 d G . . . .
H18 H 0.385339 0.836424 0.278183 0.101 Uiso 1 1 calc R U . . .
C17 C 0.3091(4) 0.8801(3) 0.2597(3) 0.098(3) Uani 1 1 d G . . . .
H17 H 0.324368 0.903684 0.237173 0.117 Uiso 1 1 calc R U . . .
C16 C 0.2505(4) 0.8854(3) 0.2683(3) 0.105(3) Uani 1 1 d G . . . .
C15 C 0.2281(3) 0.8509(4) 0.3013(4) 0.140(6) Uani 1 1 d G . . . .
H15 H 0.188082 0.854557 0.307233 0.168 Uiso 1 1 calc R U . . .
C14 C 0.2643(4) 0.8109(4) 0.3257(3) 0.119(5) Uani 1 1 d G . . . .
H14 H 0.249051 0.787297 0.348243 0.143 Uiso 1 1 calc R U . . .
C19 C 0.2053(8) 0.9254(6) 0.2427(6) 0.116(4) Uani 1 1 d . . . . .
H19 H 0.162584 0.916028 0.241935 0.140 Uiso 1 1 calc R U . . .
C20 C 0.1680(5) 0.9968(4) 0.1981(4) 0.077(2) Uani 1 1 d . . . . .
H20A H 0.125880 0.977693 0.195297 0.093 Uiso 1 1 calc R U . . .
H20B H 0.173298 1.001072 0.163023 0.093 Uiso 1 1 calc R U . . .
C21 C 0.1722(4) 1.0536(4) 0.2242(4) 0.0716(18) Uani 1 1 d . . . . .
H21A H 0.133192 1.070793 0.210171 0.086 Uiso 1 1 calc R U . . .
H21B H 0.176085 1.049561 0.261241 0.086 Uiso 1 1 calc R U . . .
C22 C 0.2103(4) 1.1129(4) 0.1668(4) 0.0681(18) Uani 1 1 d . . . . .
H22A H 0.186715 1.145607 0.168074 0.082 Uiso 1 1 calc R U . . .
H22B H 0.183039 1.084568 0.142171 0.082 Uiso 1 1 calc R U . . .
C23 C 0.2690(5) 1.1300(4) 0.1480(5) 0.077(2) Uani 1 1 d . . . . .
H23A H 0.258570 1.156457 0.120713 0.092 Uiso 1 1 calc R U . . .
H23B H 0.301463 1.149265 0.176683 0.092 Uiso 1 1 calc R U . . .
C24 C 0.3325(4) 1.0583(3) 0.1598(4) 0.0599(16) Uani 1 1 d . . . . .
H24 H 0.342545 1.070641 0.194919 0.072 Uiso 1 1 calc R U . . .
C28 C 0.4233(2) 0.92223(19) 0.1168(2) 0.0554(14) Uani 1 1 d G . . . .
C27 C 0.3909(2) 0.9540(2) 0.07917(16) 0.0592(16) Uani 1 1 d G . . . .
H27 H 0.389185 0.945598 0.044202 0.071 Uiso 1 1 calc R U . . .
C26 C 0.3609(2) 0.9982(2) 0.09272(19) 0.0610(16) Uani 1 1 d G . . . .
H26 H 0.338716 1.019887 0.067004 0.073 Uiso 1 1 calc R U . . .
C25 C 0.3633(2) 1.01049(19) 0.1439(2) 0.0584(15) Uani 1 1 d G . . . .
C30 C 0.3957(3) 0.9787(2) 0.18151(16) 0.0663(19) Uani 1 1 d G . . . .
H30 H 0.397390 0.987128 0.216478 0.080 Uiso 1 1 calc R U . . .
C29 C 0.4257(3) 0.9346(2) 0.16796(19) 0.0640(18) Uani 1 1 d G . . . .
H29 H 0.447860 0.912838 0.193677 0.077 Uiso 1 1 calc R U . . .
C31 C 0.4589(3) 0.8769(3) 0.1026(3) 0.0543(15) Uani 1 1 d . . . . .
C32 C 0.5187(3) 0.8856(3) 0.0935(3) 0.0520(14) Uani 1 1 d . . . . .
C33 C 0.4443(4) 0.8202(3) 0.0969(3) 0.0556(16) Uani 1 1 d . . . . .
C34 C 0.3845(4) 0.7844(4) 0.0958(4) 0.0698(19) Uani 1 1 d . . . . .
H34 H 0.393799 0.744787 0.094965 0.084 Uiso 1 1 calc R U . . .
C35 C 0.3631(6) 0.7958(5) 0.1449(5) 0.098(3) Uani 1 1 d . . . . .
H35A H 0.394907 0.785941 0.174537 0.147 Uiso 1 1 calc R U . . .
H35B H 0.323548 0.773431 0.143065 0.147 Uiso 1 1 calc R U . . .
H35C H 0.357264 0.835251 0.148398 0.147 Uiso 1 1 calc R U . . .
C36 C 0.3346(5) 0.7921(5) 0.0483(5) 0.094(3) Uani 1 1 d . . . . .
H36A H 0.338642 0.830722 0.038754 0.140 Uiso 1 1 calc R U . . .
H36B H 0.293316 0.783306 0.054788 0.140 Uiso 1 1 calc R U . . .
H36C H 0.339276 0.767345 0.020268 0.140 Uiso 1 1 calc R U . . .
C37 C 0.6203(4) 0.9433(4) 0.1325(4) 0.074(2) Uani 1 1 d . . . . .
H37A H 0.615865 0.929491 0.165272 0.111 Uiso 1 1 calc R U . . .
H37B H 0.639211 0.981822 0.137773 0.111 Uiso 1 1 calc R U . . .
H37C H 0.647044 0.920291 0.118394 0.111 Uiso 1 1 calc R U . . .
C38 C 0.5563(4) 0.9408(4) 0.0953(4) 0.0622(17) Uani 1 1 d . . . . .
H38 H 0.532800 0.969700 0.107484 0.075 Uiso 1 1 calc R U . . .
C39 C 0.5616(5) 0.9545(4) 0.0410(4) 0.083(3) Uani 1 1 d . . . . .
H39A H 0.578905 0.923995 0.026065 0.124 Uiso 1 1 calc R U . . .
H39B H 0.589221 0.988782 0.042929 0.124 Uiso 1 1 calc R U . . .
H39C H 0.520089 0.959483 0.019594 0.124 Uiso 1 1 calc R U . . .
C40 C 0.2413(4) 1.1346(4) 0.2566(4) 0.075(2) Uani 1 1 d . . . . .
H40A H 0.202444 1.150287 0.259467 0.090 Uiso 1 1 calc R U . . .
H40B H 0.268397 1.164402 0.246275 0.090 Uiso 1 1 calc R U . . .
C41 C 0.2754(4) 1.1160(5) 0.3101(4) 0.085(3) Uani 1 1 d . . . . .
H41A H 0.273681 1.144482 0.336834 0.103 Uiso 1 1 calc R U . . .
H41B H 0.253756 1.080793 0.317278 0.103 Uiso 1 1 calc R U . . .
C42 C 0.3586(4) 1.0620(5) 0.3193(4) 0.077(2) Uani 1 1 d . . . . .
H42 H 0.328785 1.031936 0.320773 0.093 Uiso 1 1 calc R U . . .
C46 C 0.54839(19) 1.0269(3) 0.3420(3) 0.0695(19) Uani 1 1 d G . . . .
C300 C 0.5334(2) 1.0813(2) 0.3360(3) 0.074(2) Uani 1 1 d G . . . .
H300 H 0.565436 1.110439 0.337427 0.089 Uiso 1 1 calc R U . . .
C48 C 0.4716(3) 1.0930(2) 0.3278(3) 0.072(2) Uani 1 1 d G . . . .
H48 H 0.461319 1.130101 0.323753 0.087 Uiso 1 1 calc R U . . .
C43 C 0.42469(19) 1.0503(3) 0.3257(3) 0.074(2) Uani 1 1 d G . . . .
C44 C 0.4397(2) 0.9959(2) 0.3317(3) 0.081(3) Uani 1 1 d G . . . .
H44 H 0.407640 0.966781 0.330247 0.097 Uiso 1 1 calc R U . . .
C45 C 0.5015(3) 0.9843(2) 0.3398(3) 0.080(3) Uani 1 1 d G . . . .
H45 H 0.511757 0.947117 0.343921 0.096 Uiso 1 1 calc R U . . .
C49 C 0.6158(4) 1.0150(4) 0.3513(4) 0.0668(18) Uani 1 1 d . . . . .
C50 C 0.6551(4) 1.0027(4) 0.3973(4) 0.0657(17) Uani 1 1 d . . . . .
C51 C 0.6517(4) 1.0147(4) 0.3155(4) 0.0655(18) Uani 1 1 d . . . . .
C52 C 0.6431(5) 0.9958(6) 0.4499(4) 0.086(2) Uani 1 1 d . . . . .
H52 H 0.685323 0.999217 0.474345 0.103 Uiso 1 1 calc R U . . .
C53 C 0.6142(8) 0.9386(7) 0.4552(6) 0.118(4) Uani 1 1 d . . . . .
H53A H 0.571295 0.933567 0.433726 0.177 Uiso 1 1 calc R U . . .
H53B H 0.613667 0.933832 0.490983 0.177 Uiso 1 1 calc R U . . .
H53C H 0.638723 0.910906 0.444165 0.177 Uiso 1 1 calc R U . . .
C54 C 0.6099(10) 1.0429(7) 0.4658(6) 0.143(6) Uani 1 1 d . . . . .
H54A H 0.637052 1.077698 0.469558 0.215 Uiso 1 1 calc R U . . .
H54B H 0.599953 1.035368 0.498561 0.215 Uiso 1 1 calc R U . . .
H54C H 0.571187 1.046072 0.439678 0.215 Uiso 1 1 calc R U . . .
C55 C 0.6371(5) 1.0257(5) 0.2598(4) 0.083(2) Uani 1 1 d . . . . .
H55 H 0.664643 1.003968 0.244024 0.100 Uiso 1 1 calc R U . . .
C56 C 0.5707(5) 1.0069(6) 0.2322(4) 0.096(3) Uani 1 1 d . . . . .
H56A H 0.562595 0.966822 0.235101 0.144 Uiso 1 1 calc R U . . .
H56B H 0.563976 1.014883 0.195986 0.144 Uiso 1 1 calc R U . . .
H56C H 0.542202 1.026557 0.247398 0.144 Uiso 1 1 calc R U . . .
C57 C 0.6541(6) 1.0874(6) 0.2529(6) 0.117(4) Uani 1 1 d . U . . .
H57A H 0.629277 1.110158 0.269418 0.176 Uiso 1 1 calc R U . . .
H57B H 0.645166 1.094016 0.216334 0.176 Uiso 1 1 calc R U . . .
H57C H 0.698633 1.097253 0.268575 0.176 Uiso 1 1 calc R U . . .
C58 C 0.6106(4) 0.7165(4) 0.5538(4) 0.0662(18) Uani 1 1 d . . . . .
C59 C 0.6573(4) 0.6850(4) 0.5777(4) 0.0643(17) Uani 1 1 d . . . . .
C60 C 0.6426(4) 0.6314(4) 0.5539(4) 0.0631(16) Uani 1 1 d . . . . .
C61 C 0.5999(5) 0.7757(4) 0.5678(4) 0.080(2) Uani 1 1 d . . . . .
H61 H 0.633413 0.788160 0.599263 0.096 Uiso 1 1 calc R U . . .
C62 C 0.5381(6) 0.7783(5) 0.5825(5) 0.093(3) Uani 1 1 d . . . . .
H62A H 0.503779 0.762819 0.553923 0.140 Uiso 1 1 calc R U . . .
H62B H 0.532473 0.817011 0.590398 0.140 Uiso 1 1 calc R U . . .
H62C H 0.538332 0.756722 0.612613 0.140 Uiso 1 1 calc R U . . .
C63 C 0.6080(6) 0.8148(5) 0.5280(5) 0.096(3) Uani 1 1 d . . . . .
H63A H 0.651227 0.816734 0.524874 0.144 Uiso 1 1 calc R U . . .
H63B H 0.598384 0.851756 0.537722 0.144 Uiso 1 1 calc R U . . .
H63C H 0.579588 0.801578 0.495072 0.144 Uiso 1 1 calc R U . . .
C64 C 0.6774(4) 0.5813(4) 0.5634(5) 0.076(2) Uani 1 1 d . . . . .
H64 H 0.710017 0.592031 0.595830 0.091 Uiso 1 1 calc R U . . .
C65 C 0.6373(5) 0.5328(4) 0.5781(4) 0.073(2) Uani 1 1 d . . . . .
H65A H 0.619900 0.545185 0.606161 0.109 Uiso 1 1 calc R U . . .
H65B H 0.663233 0.502466 0.589065 0.109 Uiso 1 1 calc R U . . .
H65C H 0.603189 0.519637 0.548446 0.109 Uiso 1 1 calc R U . . .
C66 C 0.7117(6) 0.5689(6) 0.5290(6) 0.109(4) Uani 1 1 d . . . . .
H66A H 0.683480 0.560261 0.495034 0.164 Uiso 1 1 calc R U . . .
H66B H 0.734546 0.536729 0.539888 0.164 Uiso 1 1 calc R U . . .
H66C H 0.741394 0.600829 0.527595 0.164 Uiso 1 1 calc R U . . .
C67 C 0.7141(4) 0.7056(4) 0.6185(4) 0.0657(18) Uani 1 1 d . . . . .
C68 C 0.7547(4) 0.7468(4) 0.6096(4) 0.073(2) Uani 1 1 d . . . . .
H68 H 0.745647 0.762758 0.577218 0.087 Uiso 1 1 calc R U . . .
C69 C 0.8092(4) 0.7668(4) 0.6457(4) 0.072(2) Uani 1 1 d . . . . .
H69 H 0.836474 0.795519 0.637500 0.086 Uiso 1 1 calc R U . . .
C70 C 0.8240(4) 0.7454(4) 0.6931(4) 0.0626(16) Uani 1 1 d . . . . .
C71 C 0.7846(4) 0.6998(4) 0.7013(4) 0.070(2) Uani 1 1 d . . . . .
H71 H 0.795620 0.681715 0.732477 0.084 Uiso 1 1 calc R U . . .
C72 C 0.7310(4) 0.6807(5) 0.6658(4) 0.074(2) Uani 1 1 d . . . . .
H72 H 0.704833 0.650359 0.673007 0.089 Uiso 1 1 calc R U . . .
C73 C 0.8788(4) 0.7679(4) 0.7329(4) 0.0631(17) Uani 1 1 d . . . . .
H73 H 0.909623 0.792111 0.723416 0.076 Uiso 1 1 calc R U . . .
C74 C 0.9407(5) 0.7835(5) 0.8173(4) 0.078(2) Uani 1 1 d . . . . .
H74A H 0.926361 0.806260 0.842539 0.094 Uiso 1 1 calc R U . . .
H74B H 0.966520 0.808370 0.800436 0.094 Uiso 1 1 calc R U . . .
C75 C 0.9791(5) 0.7398(5) 0.8440(4) 0.081(2) Uani 1 1 d . . . . .
H75A H 1.005394 0.756039 0.877201 0.097 Uiso 1 1 calc R U . . .
H75B H 0.950580 0.709061 0.851231 0.097 Uiso 1 1 calc R U . . .
C76 C 1.0265(5) 0.6579(5) 0.8234(4) 0.081(2) Uani 1 1 d . . . . .
H76A H 1.030145 0.651877 0.860119 0.098 Uiso 1 1 calc R U . . .
H76B H 1.065425 0.647987 0.815121 0.098 Uiso 1 1 calc R U . . .
C77 C 0.9711(5) 0.6200(5) 0.7912(4) 0.085(2) Uani 1 1 d . . . . .
H77A H 0.969388 0.583367 0.806302 0.101 Uiso 1 1 calc R U . . .
H77B H 0.931673 0.636388 0.790947 0.101 Uiso 1 1 calc R U . . .
C78 C 0.9347(5) 0.6253(4) 0.7029(4) 0.074(2) Uani 1 1 d . . . . .
H78 H 0.899539 0.640322 0.710402 0.089 Uiso 1 1 calc R U . . .
C79 C 0.9372(4) 0.6172(4) 0.6485(4) 0.0662(17) Uani 1 1 d . . . . .
C80 C 0.8890(5) 0.6307(4) 0.6097(4) 0.077(2) Uani 1 1 d . . . . .
H80 H 0.853900 0.645406 0.617791 0.093 Uiso 1 1 calc R U . . .
C81 C 0.8908(5) 0.6231(4) 0.5589(4) 0.0727(19) Uani 1 1 d . . . . .
H81 H 0.856455 0.631835 0.532561 0.087 Uiso 1 1 calc R U . . .
C82 C 0.9419(5) 0.6030(4) 0.5462(4) 0.0699(17) Uani 1 1 d . . . . .
C83 C 0.9913(5) 0.5910(4) 0.5867(4) 0.075(2) Uani 1 1 d . . . . .
H83 H 1.026999 0.577077 0.579016 0.090 Uiso 1 1 calc R U . . .
C84 C 0.9898(5) 0.5986(4) 0.6366(5) 0.077(2) Uani 1 1 d . . . . .
H84 H 1.024624 0.591324 0.663116 0.092 Uiso 1 1 calc R U . . .
C85 C 0.9438(4) 0.5918(4) 0.4920(4) 0.0715(17) Uani 1 1 d . . . . .
C86 C 0.9170(4) 0.5462(4) 0.4612(4) 0.0690(16) Uani 1 1 d . . . . .
C87 C 0.9736(5) 0.6256(4) 0.4618(4) 0.075(2) Uani 1 1 d . . . . .
C88 C 0.8779(5) 0.4953(4) 0.4706(4) 0.075(2) Uani 1 1 d . . . . .
H88 H 0.879185 0.466196 0.443777 0.090 Uiso 1 1 calc R U . . .
C89 C 0.9024(6) 0.4718(5) 0.5206(5) 0.091(3) Uani 1 1 d . . . . .
H89A H 0.946315 0.465502 0.524388 0.136 Uiso 1 1 calc R U . . .
H89B H 0.878061 0.436506 0.522474 0.136 Uiso 1 1 calc R U . . .
H89C H 0.899028 0.497873 0.548175 0.136 Uiso 1 1 calc R U . . .
C90 C 0.8103(5) 0.5067(5) 0.4625(5) 0.082(3) Uani 1 1 d . . . . .
H90A H 0.807495 0.538902 0.484452 0.123 Uiso 1 1 calc R U . . .
H90B H 0.786101 0.474201 0.471097 0.123 Uiso 1 1 calc R U . . .
H90C H 0.793418 0.514333 0.426556 0.123 Uiso 1 1 calc R U . . .
C91 C 1.0126(6) 0.6822(5) 0.4745(5) 0.090(3) Uani 1 1 d . . . . .
H91 H 1.007797 0.701265 0.441647 0.109 Uiso 1 1 calc R U . . .
C92 C 1.0803(6) 0.6760(6) 0.4940(7) 0.124(5) Uani 1 1 d . . . . .
H92A H 1.096061 0.658760 0.466911 0.186 Uiso 1 1 calc R U . . .
H92B H 1.086369 0.652570 0.523396 0.186 Uiso 1 1 calc R U . . .
H92C H 1.103171 0.712656 0.504601 0.186 Uiso 1 1 calc R U . . .
C93 C 0.9889(6) 0.7193(5) 0.5106(5) 0.091(3) Uani 1 1 d . . . . .
H93A H 0.943416 0.718684 0.498902 0.137 Uiso 1 1 calc R U . . .
H93B H 1.008130 0.757352 0.511028 0.137 Uiso 1 1 calc R U . . .
H93C H 1.000010 0.705745 0.545156 0.137 Uiso 1 1 calc R U . . .
C94 C 1.0797(5) 0.7481(5) 0.8237(4) 0.084(2) Uani 1 1 d . . . . .
H94A H 1.107988 0.734066 0.853926 0.101 Uiso 1 1 calc R U . . .
H94B H 1.075296 0.787463 0.831723 0.101 Uiso 1 1 calc R U . . .
C95 C 1.1089(5) 0.7445(6) 0.7788(4) 0.090(3) Uani 1 1 d . . . . .
H95A H 1.154736 0.753617 0.790419 0.108 Uiso 1 1 calc R U . . .
H95B H 1.100506 0.706469 0.762565 0.108 Uiso 1 1 calc R U . . .
C96 C 1.0413(4) 0.7651(4) 0.7026(4) 0.070(2) Uani 1 1 d . . . . .
H96 H 1.030156 0.726189 0.698581 0.084 Uiso 1 1 calc R U . . .
C97 C 1.0110(4) 0.8012(4) 0.6629(4) 0.0635(18) Uani 1 1 d . . . . .
C98 C 0.9626(5) 0.7775(4) 0.6228(4) 0.075(2) Uani 1 1 d . . . . .
H98 H 0.948351 0.739348 0.622649 0.090 Uiso 1 1 calc R U . . .
C99 C 0.9350(4) 0.8090(4) 0.5832(4) 0.071(2) Uani 1 1 d . . . . .
H99 H 0.901997 0.792161 0.556144 0.086 Uiso 1 1 calc R U . . .
C100 C 0.9550(4) 0.8650(4) 0.5826(3) 0.0570(15) Uani 1 1 d . . . . .
C101 C 1.0019(5) 0.8879(4) 0.6228(4) 0.083(3) Uani 1 1 d . . . . .
H101 H 1.016123 0.926117 0.623292 0.100 Uiso 1 1 calc R U . . .
C102 C 1.0287(5) 0.8567(4) 0.6626(4) 0.081(3) Uani 1 1 d . . . . .
H102 H 1.060131 0.874106 0.690478 0.097 Uiso 1 1 calc R U . . .
C103 C 0.9277(4) 0.8957(4) 0.5366(3) 0.0579(15) Uani 1 1 d . . . . .
C104 C 0.8712(4) 0.9201(4) 0.5265(3) 0.0574(15) Uani 1 1 d . . . . .
C105 C 0.9505(4) 0.9024(3) 0.4940(3) 0.0536(13) Uani 1 1 d . . . . .
C106 C 0.8263(4) 0.9247(4) 0.5596(4) 0.0677(18) Uani 1 1 d . . . . .
H106 H 0.848718 0.913494 0.594082 0.081 Uiso 1 1 calc R U . . .
C107 C 0.7684(5) 0.8839(5) 0.5430(4) 0.081(3) Uani 1 1 d . . . . .
H10D H 0.745919 0.890852 0.508048 0.122 Uiso 1 1 calc R U . . .
H10E H 0.741171 0.888548 0.566190 0.122 Uiso 1 1 calc R U . . .
H10F H 0.780572 0.845925 0.543877 0.122 Uiso 1 1 calc R U . . .
C108 C 0.8114(5) 0.9831(4) 0.5679(4) 0.077(2) Uani 1 1 d . . . . .
H10G H 0.850380 1.007539 0.579358 0.116 Uiso 1 1 calc R U . . .
H10H H 0.787479 0.984354 0.593944 0.116 Uiso 1 1 calc R U . . .
H10I H 0.786686 0.995668 0.535707 0.116 Uiso 1 1 calc R U . . .
C109 C 1.0118(4) 0.8852(4) 0.4867(3) 0.0581(16) Uani 1 1 d . . . . .
H109 H 1.029966 0.863337 0.516655 0.070 Uiso 1 1 calc R U . . .
C110 C 1.0590(4) 0.9358(4) 0.4872(4) 0.070(2) Uani 1 1 d . . . . .
H11D H 1.041986 0.959148 0.459152 0.105 Uiso 1 1 calc R U . . .
H11E H 1.098324 0.923197 0.482798 0.105 Uiso 1 1 calc R U . . .
H11F H 1.066744 0.957319 0.519897 0.105 Uiso 1 1 calc R U . . .
C111 C 1.0033(4) 0.8472(4) 0.4386(4) 0.069(2) Uani 1 1 d . . . . .
H11G H 0.973195 0.815333 0.439453 0.104 Uiso 1 1 calc R U . . .
H11H H 1.043499 0.834071 0.437326 0.104 Uiso 1 1 calc R U . . .
H11I H 0.987655 0.867851 0.408264 0.104 Uiso 1 1 calc R U . . .
C112 C 0.5250(4) 0.4695(4) 0.3934(4) 0.0626(16) Uani 1 1 d . . . . .
C113 C 0.4898(5) 0.4510(4) 0.3448(4) 0.0676(17) Uani 1 1 d . . . . .
C114 C 0.4508(5) 0.4911(4) 0.3273(4) 0.0670(17) Uani 1 1 d . . . . .
C115 C 0.5736(4) 0.4433(4) 0.4304(4) 0.0656(18) Uani 1 1 d . . . . .
H115 H 0.576835 0.463087 0.464236 0.079 Uiso 1 1 calc R U . . .
C116 C 0.6384(5) 0.4531(6) 0.4208(6) 0.113(5) Uani 1 1 d . . . . .
H11J H 0.637693 0.437266 0.386713 0.170 Uiso 1 1 calc R U . . .
H11K H 0.668405 0.435320 0.446713 0.170 Uiso 1 1 calc R U . . .
H11L H 0.650926 0.493100 0.422656 0.170 Uiso 1 1 calc R U . . .
C117 C 0.5559(5) 0.3829(4) 0.4378(5) 0.081(3) Uani 1 1 d . . . . .
H11M H 0.513029 0.378435 0.441933 0.121 Uiso 1 1 calc R U . . .
H11N H 0.584552 0.371091 0.468416 0.121 Uiso 1 1 calc R U . . .
H11O H 0.558529 0.360182 0.407833 0.121 Uiso 1 1 calc R U . . .
C118 C 0.4039(5) 0.4919(5) 0.2774(4) 0.085(3) Uani 1 1 d D . . . .
H118 H 0.411067 0.456392 0.260789 0.102 Uiso 1 1 calc R U . . .
C119 C 0.3386(5) 0.4792(7) 0.2781(6) 0.119(4) Uani 1 1 d D U . . .
H11P H 0.336001 0.453855 0.305279 0.179 Uiso 1 1 calc R U . . .
H11Q H 0.315286 0.461509 0.245013 0.179 Uiso 1 1 calc R U . . .
H11R H 0.320785 0.513528 0.284551 0.179 Uiso 1 1 calc R U . . .
C120 C 0.4213(6) 0.5311(6) 0.2418(4) 0.104(4) Uani 1 1 d D . . . .
H12D H 0.405070 0.566745 0.246733 0.156 Uiso 1 1 calc R U . . .
H12E H 0.403420 0.516204 0.206530 0.156 Uiso 1 1 calc R U . . .
H12F H 0.466887 0.536564 0.248231 0.156 Uiso 1 1 calc R U . . .
C121 C 0.4984(4) 0.3999(3) 0.3156(3) 0.081(2) Uani 1 1 d G . . . .
C126 C 0.4559(3) 0.3528(3) 0.3071(3) 0.102(3) Uani 1 1 d G . . . .
H126 H 0.419855 0.352064 0.320232 0.123 Uiso 1 1 calc R U . . .
C125 C 0.4662(3) 0.3067(3) 0.2792(3) 0.089(3) Uani 1 1 d G . . . .
H125 H 0.437212 0.274504 0.273417 0.107 Uiso 1 1 calc R U . . .
C124 C 0.5190(4) 0.3077(3) 0.2600(3) 0.083(2) Uani 1 1 d G . . . .
C123 C 0.5615(3) 0.3548(3) 0.2685(3) 0.103(4) Uani 1 1 d G . . . .
H123 H 0.597542 0.355533 0.255304 0.123 Uiso 1 1 calc R U . . .
C122 C 0.5512(4) 0.4009(3) 0.2963(3) 0.114(4) Uani 1 1 d G . . . .
H122 H 0.580186 0.433094 0.302119 0.137 Uiso 1 1 calc R U . . .
C127 C 0.5338(6) 0.2584(5) 0.2330(5) 0.087(3) Uani 1 1 d . . . . .
H127 H 0.570215 0.260540 0.220204 0.104 Uiso 1 1 calc R U . . .
C128 C 0.5188(5) 0.1658(5) 0.1993(4) 0.083(2) Uani 1 1 d . . . . .
H12G H 0.558227 0.178315 0.190156 0.099 Uiso 1 1 calc R U . . .
H12H H 0.526933 0.134722 0.222213 0.099 Uiso 1 1 calc R U . . .
C129 C 0.4699(5) 0.1465(4) 0.1522(4) 0.077(2) Uani 1 1 d . . . . .
H12I H 0.474685 0.107405 0.143290 0.092 Uiso 1 1 calc R U . . .
H12J H 0.428323 0.147602 0.159405 0.092 Uiso 1 1 calc R U . . .
C130 C 0.4087(4) 0.1847(4) 0.0778(4) 0.0715(19) Uani 1 1 d . . . . .
H13A H 0.381860 0.150196 0.079240 0.086 Uiso 1 1 calc R U . . .
H13B H 0.409959 0.188790 0.041714 0.086 Uiso 1 1 calc R U . . .
C131 C 0.3799(5) 0.2330(4) 0.0954(4) 0.076(2) Uani 1 1 d . . . . .
H13C H 0.335072 0.230694 0.077476 0.092 Uiso 1 1 calc R U . . .
H13D H 0.383141 0.231768 0.132596 0.092 Uiso 1 1 calc R U . . .
C132 C 0.4230(4) 0.3250(4) 0.1188(4) 0.0642(18) Uani 1 1 d . . . . .
H132 H 0.413323 0.319013 0.150733 0.077 Uiso 1 1 calc R U . . .
C133 C 0.4510(4) 0.3806(3) 0.1096(4) 0.0575(15) Uani 1 1 d . . . . .
C134 C 0.4700(4) 0.3915(3) 0.0654(3) 0.0592(16) Uani 1 1 d . . . . .
H134 H 0.467430 0.361999 0.040657 0.071 Uiso 1 1 calc R U . . .
C135 C 0.4925(4) 0.4438(3) 0.0564(3) 0.0561(15) Uani 1 1 d . . . . .
H135 H 0.504571 0.449896 0.025418 0.067 Uiso 1 1 calc R U . . .
C136 C 0.4978(3) 0.4887(3) 0.0926(3) 0.0523(13) Uani 1 1 d . . . . .
C137 C 0.4797(5) 0.4772(4) 0.1379(4) 0.070(2) Uani 1 1 d . . . . .
H137 H 0.483366 0.506069 0.163413 0.084 Uiso 1 1 calc R U . . .
C138 C 0.4562(5) 0.4233(4) 0.1458(4) 0.074(2) Uani 1 1 d . . . . .
H138 H 0.443825 0.416229 0.176434 0.089 Uiso 1 1 calc R U . . .
C139 C 0.5184(3) 0.5459(3) 0.0828(3) 0.0489(13) Uani 1 1 d . . . . .
C140 C 0.5772(3) 0.5666(3) 0.0779(3) 0.0489(13) Uani 1 1 d . . . . .
C141 C 0.4820(3) 0.5903(3) 0.0767(3) 0.0503(14) Uani 1 1 d . . . . .
C142 C 0.6378(4) 0.5419(3) 0.0800(3) 0.0557(15) Uani 1 1 d . . . . .
H142 H 0.672491 0.571635 0.094086 0.067 Uiso 1 1 calc R U . . .
C143 C 0.6456(4) 0.4947(4) 0.1168(4) 0.069(2) Uani 1 1 d . . . . .
H14A H 0.637695 0.507295 0.149343 0.103 Uiso 1 1 calc R U . . .
H14B H 0.688338 0.483986 0.122889 0.103 Uiso 1 1 calc R U . . .
H14C H 0.615885 0.462732 0.101788 0.103 Uiso 1 1 calc R U . . .
C144 C 0.6437(4) 0.5228(4) 0.0271(4) 0.0653(19) Uani 1 1 d . . . . .
H14D H 0.609204 0.494600 0.011567 0.098 Uiso 1 1 calc R U . . .
H14E H 0.683576 0.506892 0.030252 0.098 Uiso 1 1 calc R U . . .
H14F H 0.642119 0.554562 0.005406 0.098 Uiso 1 1 calc R U . . .
C145 C 0.4143(4) 0.5915(3) 0.0794(4) 0.0581(16) Uani 1 1 d . . . . .
H145 H 0.395945 0.552143 0.078470 0.070 Uiso 1 1 calc R U . . .
C146 C 0.4105(4) 0.6201(4) 0.1301(4) 0.069(2) Uani 1 1 d . . . . .
H14G H 0.434340 0.600949 0.158804 0.103 Uiso 1 1 calc R U . . .
H14H H 0.366716 0.618608 0.131755 0.103 Uiso 1 1 calc R U . . .
H14I H 0.427980 0.658873 0.132044 0.103 Uiso 1 1 calc R U . . .
C147 C 0.3758(4) 0.6188(4) 0.0330(4) 0.0653(19) Uani 1 1 d . . . . .
H14J H 0.389394 0.658612 0.035222 0.098 Uiso 1 1 calc R U . . .
H14K H 0.331373 0.613591 0.032895 0.098 Uiso 1 1 calc R U . . .
H14L H 0.381923 0.601707 0.001444 0.098 Uiso 1 1 calc R U . . .
C148 C 0.5103(5) 0.1559(4) 0.0783(4) 0.0748(19) Uani 1 1 d . . . . .
H14M H 0.486452 0.122786 0.057938 0.090 Uiso 1 1 calc R U . . .
H14N H 0.547757 0.143458 0.101703 0.090 Uiso 1 1 calc R U . . .
C149 C 0.5319(5) 0.1967(5) 0.0413(4) 0.077(2) Uani 1 1 d . . . . .
H14O H 0.541377 0.175323 0.012678 0.092 Uiso 1 1 calc R U . . .
H14P H 0.497568 0.219570 0.026692 0.092 Uiso 1 1 calc R U . . .
C150 C 0.5785(5) 0.2770(4) 0.0887(4) 0.075(2) Uani 1 1 d . . . . .
H150 H 0.537226 0.286994 0.085272 0.090 Uiso 1 1 calc R U . . .
C151 C 0.6324(4) 0.3151(4) 0.1199(4) 0.0688(19) Uani 1 1 d . . . . .
C152 C 0.6923(4) 0.3131(4) 0.1115(4) 0.073(2) Uani 1 1 d . . . . .
H152 H 0.698125 0.289253 0.084786 0.087 Uiso 1 1 calc R U . . .
C153 C 0.7425(4) 0.3456(4) 0.1418(4) 0.074(2) Uani 1 1 d . . . . .
H153 H 0.782858 0.343993 0.135893 0.088 Uiso 1 1 calc R U . . .
C154 C 0.7343(4) 0.3818(4) 0.1822(4) 0.0656(17) Uani 1 1 d . . . . .
C155 C 0.6738(4) 0.3845(4) 0.1872(4) 0.0666(19) Uani 1 1 d . . . . .
H155 H 0.666306 0.408968 0.212772 0.080 Uiso 1 1 calc R U . . .
C156 C 0.6237(4) 0.3516(4) 0.1550(4) 0.0660(18) Uani 1 1 d . . . . .
H156 H 0.582505 0.355413 0.158196 0.079 Uiso 1 1 calc R U . . .
C157 C 0.7865(4) 0.4182(4) 0.2121(4) 0.0690(16) Uani 1 1 d . . . . .
C158 C 0.8048(4) 0.4247(4) 0.2674(4) 0.0697(17) Uani 1 1 d . . . . .
C159 C 0.8262(4) 0.4580(4) 0.1960(4) 0.0692(16) Uani 1 1 d . . . . .
C160 C 0.7802(5) 0.3930(4) 0.3063(5) 0.078(2) Uani 1 1 d . . . . .
H160 H 0.750400 0.362343 0.285981 0.094 Uiso 1 1 calc R U . . .
C161 C 0.8292(5) 0.3641(5) 0.3423(5) 0.089(3) Uani 1 1 d . . . . .
H16A H 0.859648 0.352272 0.324240 0.134 Uiso 1 1 calc R U . . .
H16B H 0.809218 0.331614 0.354821 0.134 Uiso 1 1 calc R U . . .
H16C H 0.850633 0.389763 0.371385 0.134 Uiso 1 1 calc R U . . .
C162 C 0.7413(6) 0.4256(5) 0.3327(5) 0.095(3) Uani 1 1 d . . . . .
H16D H 0.768505 0.453988 0.356548 0.143 Uiso 1 1 calc R U . . .
H16E H 0.719270 0.400507 0.351685 0.143 Uiso 1 1 calc R U . . .
H16F H 0.710876 0.443424 0.307238 0.143 Uiso 1 1 calc R U . . .
C163 C 0.8252(5) 0.4723(4) 0.1426(4) 0.0752(19) Uani 1 1 d . . . . .
H163 H 0.789542 0.448467 0.119722 0.090 Uiso 1 1 calc R U . . .
C164 C 0.8838(5) 0.4575(6) 0.1284(5) 0.094(3) Uani 1 1 d . . . . .
H16G H 0.920125 0.480109 0.149952 0.142 Uiso 1 1 calc R U . . .
H16H H 0.880771 0.464744 0.092347 0.142 Uiso 1 1 calc R U . . .
H16I H 0.888684 0.418122 0.133492 0.142 Uiso 1 1 calc R U . . .
C165 C 0.8134(5) 0.5315(4) 0.1324(5) 0.085(3) Uani 1 1 d . . . . .
H16J H 0.777789 0.540831 0.145603 0.128 Uiso 1 1 calc R U . . .
H16K H 0.804012 0.536219 0.095513 0.128 Uiso 1 1 calc R U . . .
H16L H 0.850568 0.556128 0.149591 0.128 Uiso 1 1 calc R U . . .
C166 C 0.7564(4) 0.7343(4) 0.0308(4) 0.0595(16) Uani 1 1 d . . . . .
C167 C 0.7879(4) 0.7883(4) 0.0356(3) 0.0591(15) Uani 1 1 d . . . . .
C168 C 0.7490(3) 0.8228(4) 0.0515(3) 0.0562(15) Uani 1 1 d . . . . .
C169 C 0.7777(4) 0.6812(4) 0.0145(5) 0.076(2) Uani 1 1 d . . . . .
H169 H 0.817104 0.690824 0.003522 0.091 Uiso 1 1 calc R U . . .
C170 C 0.7302(5) 0.6514(5) -0.0315(5) 0.093(3) Uani 1 1 d . . . . .
H17A H 0.689290 0.645863 -0.023573 0.140 Uiso 1 1 calc R U . . .
H17B H 0.743856 0.615367 -0.039017 0.140 Uiso 1 1 calc R U . . .
H17C H 0.726957 0.674062 -0.061289 0.140 Uiso 1 1 calc R U . . .
C171 C 0.7924(6) 0.6426(5) 0.0568(6) 0.103(3) Uani 1 1 d . U . . .
H17D H 0.811799 0.664009 0.089040 0.155 Uiso 1 1 calc R U . . .
H17E H 0.821377 0.616891 0.049427 0.155 Uiso 1 1 calc R U . . .
H17F H 0.753824 0.621464 0.059733 0.155 Uiso 1 1 calc R U . . .
C172 C 0.7550(4) 0.8839(4) 0.0640(4) 0.0623(16) Uani 1 1 d . . . . .
H172 H 0.731336 0.889364 0.090698 0.075 Uiso 1 1 calc R U . . .
C173 C 0.8216(4) 0.9087(5) 0.0876(4) 0.074(2) Uani 1 1 d . . . . .
H17G H 0.839289 0.889188 0.118196 0.112 Uiso 1 1 calc R U . . .
H17H H 0.821519 0.948151 0.097067 0.112 Uiso 1 1 calc R U . . .
H17I H 0.846832 0.904883 0.062735 0.112 Uiso 1 1 calc R U . . .
C174 C 0.7231(4) 0.9154(4) 0.0181(4) 0.070(2) Uani 1 1 d . . . . .
H17J H 0.745487 0.912333 -0.008932 0.105 Uiso 1 1 calc R U . . .
H17K H 0.723788 0.954576 0.028671 0.105 Uiso 1 1 calc R U . . .
H17L H 0.679772 0.899360 0.005090 0.105 Uiso 1 1 calc R U . . .
C175 C 0.8514(2) 0.8014(3) 0.0267(2) 0.0603(18) Uani 1 1 d G . . . .
C180 C 0.9033(3) 0.7812(3) 0.0581(2) 0.102(4) Uani 1 1 d G . . . .
H180 H 0.899012 0.761213 0.086986 0.122 Uiso 1 1 calc R U . . .
C179 C 0.9615(2) 0.7903(3) 0.0474(3) 0.098(4) Uani 1 1 d G . . . .
H179 H 0.996951 0.776513 0.068937 0.118 Uiso 1 1 calc R U . . .
C178 C 0.96776(19) 0.8195(3) 0.0052(2) 0.0644(18) Uani 1 1 d G . . . .
C177 C 0.9159(2) 0.8397(3) -0.0263(2) 0.0669(19) Uani 1 1 d G . . . .
H177 H 0.920150 0.859688 -0.055117 0.080 Uiso 1 1 calc R U . . .
C176 C 0.8577(2) 0.8306(3) -0.0156(2) 0.065(2) Uani 1 1 d G . . . .
H176 H 0.822211 0.844388 -0.037069 0.078 Uiso 1 1 calc R U . . .
C181 C 1.0300(4) 0.8273(4) -0.0068(4) 0.071(2) Uani 1 1 d D . . . .
H181 H 1.064887 0.815140 0.016818 0.085 Uiso 1 1 calc R U . . .
C182 C 1.1008(5) 0.8502(5) -0.0542(5) 0.086(3) Uani 1 1 d . . . . .
H18A H 1.098600 0.835998 -0.089491 0.104 Uiso 1 1 calc R U . . .
H18B H 1.125554 0.825773 -0.030149 0.104 Uiso 1 1 calc R U . . .
C183 C 1.1333(4) 0.9098(4) -0.0455(4) 0.0707(19) Uani 1 1 d . . . . .
H18C H 1.169481 0.912294 -0.061102 0.085 Uiso 1 1 calc R U . . .
H18D H 1.103810 0.935922 -0.062230 0.085 Uiso 1 1 calc R U . . .
C184 C 1.1600(4) 0.9860(4) 0.0171(4) 0.0693(19) Uani 1 1 d . . . . .
H18E H 1.180390 1.001935 -0.008777 0.083 Uiso 1 1 calc R U . . .
H18F H 1.187209 0.997851 0.051299 0.083 Uiso 1 1 calc R U . . .
C185 C 1.0986(5) 1.0092(5) 0.0118(4) 0.076(2) Uani 1 1 d . . . . .
H18G H 1.101166 1.046392 -0.002150 0.092 Uiso 1 1 calc R U . . .
H18H H 1.066188 0.985087 -0.013296 0.092 Uiso 1 1 calc R U . . .
C186 C 1.0435(6) 0.9806(7) 0.0672(4) 0.114(3) Uani 1 1 d D U . . .
H186 H 1.030892 0.947532 0.045796 0.136 Uiso 1 1 calc R U . . .
C190 C 0.9667(3) 0.9911(3) 0.1990(2) 0.0758(18) Uani 1 1 d G . . . .
C191 C 0.9686(3) 0.9408(3) 0.1733(3) 0.088(2) Uani 1 1 d G . . . .
H191 H 0.953269 0.907171 0.185095 0.105 Uiso 1 1 calc R U . . .
C192 C 0.9929(3) 0.9397(3) 0.1305(3) 0.101(3) Uani 1 1 d G . . . .
H192 H 0.994224 0.905324 0.112973 0.121 Uiso 1 1 calc R U . . .
C187 C 1.0154(3) 0.9890(4) 0.1133(2) 0.102(3) Uani 1 1 d DG . . . .
C188 C 1.0135(3) 1.0393(3) 0.1389(3) 0.097(2) Uani 1 1 d G . . . .
H188 H 1.028863 1.072923 0.127127 0.116 Uiso 1 1 calc R U . . .
C189 C 0.9892(3) 1.0404(3) 0.1817(3) 0.090(2) Uani 1 1 d G . . . .
H189 H 0.987908 1.074772 0.199250 0.108 Uiso 1 1 calc R U . . .
C193 C 0.9375(4) 0.9915(4) 0.2453(4) 0.0661(17) Uani 1 1 d . . . . .
C194 C 0.9606(4) 0.9749(4) 0.2941(4) 0.0646(18) Uani 1 1 d . . . . .
C195 C 0.8775(4) 1.0045(4) 0.2435(4) 0.0630(17) Uani 1 1 d . . . . .
C196 C 1.0240(4) 0.9577(6) 0.3193(4) 0.087(3) Uani 1 1 d . . . . .
H196 H 1.028486 0.960406 0.357077 0.104 Uiso 1 1 calc R U . . .
C197 C 1.0305(6) 0.8989(6) 0.3048(6) 0.112(4) Uani 1 1 d . . . . .
H19A H 0.995442 0.874775 0.310811 0.167 Uiso 1 1 calc R U . . .
H19B H 1.069865 0.887742 0.325509 0.167 Uiso 1 1 calc R U . . .
H19C H 1.030425 0.895479 0.268464 0.167 Uiso 1 1 calc R U . . .
C198 C 1.0767(5) 0.9976(6) 0.3080(5) 0.102(3) Uani 1 1 d . . . . .
H19D H 1.074334 0.995301 0.271260 0.153 Uiso 1 1 calc R U . . .
H19E H 1.117340 0.987158 0.326958 0.153 Uiso 1 1 calc R U . . .
H19F H 1.071866 1.035718 0.318718 0.153 Uiso 1 1 calc R U . . .
C199 C 0.8325(4) 1.0261(5) 0.1990(4) 0.078(2) Uani 1 1 d . . . . .
H199 H 0.852971 1.026169 0.169835 0.093 Uiso 1 1 calc R U . . .
C200 C 0.7713(4) 0.9885(5) 0.1812(4) 0.080(3) Uani 1 1 d . . . . .
H20C H 0.780553 0.950678 0.173687 0.119 Uiso 1 1 calc R U . . .
H20D H 0.745460 1.002509 0.150294 0.119 Uiso 1 1 calc R U . . .
H20E H 0.748787 0.988068 0.208282 0.119 Uiso 1 1 calc R U . . .
C201 C 0.8206(7) 1.0859(6) 0.2092(6) 0.115(4) Uani 1 1 d . . . . .
H20F H 0.812640 1.090161 0.243207 0.172 Uiso 1 1 calc R U . . .
H20G H 0.784138 1.095322 0.183259 0.172 Uiso 1 1 calc R U . . .
H20H H 0.857289 1.110768 0.207608 0.172 Uiso 1 1 calc R U . . .
C202 C 1.2144(4) 0.9042(4) 0.0315(4) 0.0720(19) Uani 1 1 d . . . . .
H20I H 1.247575 0.927154 0.020617 0.086 Uiso 1 1 calc R U . . .
H20J H 1.213056 0.865840 0.017060 0.086 Uiso 1 1 calc R U . . .
C203 C 1.2311(5) 0.9039(5) 0.0893(4) 0.081(2) Uani 1 1 d . . . . .
H20K H 1.277122 0.906768 0.102320 0.098 Uiso 1 1 calc R U . . .
H20L H 1.215542 0.936396 0.103645 0.098 Uiso 1 1 calc R U . . .
C204 C 1.1644(5) 0.8606(5) 0.1276(4) 0.089(3) Uani 1 1 d D . . . .
H204 H 1.150062 0.896384 0.128873 0.107 Uiso 1 1 calc R U . . .
C208 C 1.0838(3) 0.7298(3) 0.2036(3) 0.081(2) Uani 1 1 d G . . . .
C209 C 1.1342(4) 0.7197(3) 0.1835(4) 0.123(5) Uani 1 1 d G . . . .
H209 H 1.150387 0.684586 0.186694 0.147 Uiso 1 1 calc R U . . .
C210 C 1.1608(4) 0.7611(3) 0.1588(4) 0.122(5) Uani 1 1 d G . . . .
H210 H 1.195218 0.754190 0.145013 0.146 Uiso 1 1 calc R U . . .
C205 C 1.1371(4) 0.8124(3) 0.1541(3) 0.101(3) Uani 1 1 d DG . . . .
C206 C 1.0868(4) 0.8225(3) 0.1742(3) 0.099(3) Uani 1 1 d G . . . .
H206 H 1.070546 0.857617 0.171057 0.119 Uiso 1 1 calc R U . . .
C207 C 1.0601(3) 0.7811(3) 0.1990(3) 0.103(4) Uani 1 1 d G . . . .
H207 H 1.025714 0.788013 0.212739 0.124 Uiso 1 1 calc R U . . .
C211 C 1.0543(4) 0.6849(5) 0.2308(4) 0.074(2) Uani 1 1 d . . . . .
C212 C 1.0139(4) 0.6371(5) 0.2082(4) 0.077(2) Uani 1 1 d . . . . .
C213 C 1.0564(5) 0.6865(5) 0.2805(4) 0.076(2) Uani 1 1 d . . . . .
C214 C 0.9945(6) 0.6120(5) 0.1557(5) 0.095(3) Uani 1 1 d . . . . .
H214 H 0.957878 0.584197 0.153882 0.114 Uiso 1 1 calc R U . . .
C215 C 1.0459(8) 0.5810(8) 0.1413(6) 0.135(5) Uani 1 1 d . . . . .
H21C H 1.081251 0.581025 0.171296 0.203 Uiso 1 1 calc R U . . .
H21D H 1.059809 0.599607 0.113785 0.203 Uiso 1 1 calc R U . . .
H21E H 1.029349 0.542699 0.129738 0.203 Uiso 1 1 calc R U . . .
C216 C 0.9728(9) 0.6559(8) 0.1175(6) 0.144(5) Uani 1 1 d . . . . .
H21F H 0.936314 0.671403 0.124864 0.215 Uiso 1 1 calc R U . . .
H21G H 0.961606 0.638822 0.082664 0.215 Uiso 1 1 calc R U . . .
H21H H 1.006663 0.685648 0.120600 0.215 Uiso 1 1 calc R U . . .
C217 C 1.0916(5) 0.7286(5) 0.3230(4) 0.086(2) Uani 1 1 d . . . . .
H217 H 1.115504 0.756252 0.306517 0.104 Uiso 1 1 calc R U . . .
C218 C 1.0502(8) 0.7606(6) 0.3464(6) 0.117(4) Uani 1 1 d . . . . .
H21I H 1.074859 0.792575 0.367144 0.176 Uiso 1 1 calc R U . . .
H21J H 1.031081 0.736726 0.368170 0.176 Uiso 1 1 calc R U . . .
H21K H 1.017287 0.773681 0.319327 0.176 Uiso 1 1 calc R U . . .
C219 C 1.1389(6) 0.7039(6) 0.3628(5) 0.105(3) Uani 1 1 d . . . . .
H21L H 1.117599 0.679718 0.383035 0.158 Uiso 1 1 calc R U . . .
H21M H 1.165650 0.733557 0.385353 0.158 Uiso 1 1 calc R U . . .
H21N H 1.164547 0.682014 0.346355 0.158 Uiso 1 1 calc R U . . .
Cl1 Cl 0.77009(13) 1.18795(14) 0.09151(15) 0.1038(9) Uani 1 1 d . . . . .
Cl4 Cl 0.67498(19) 1.09771(16) 0.0818(2) 0.1549(17) Uani 1 1 d . U . . .
Cl6 Cl 0.7022(2) 1.1811(2) 0.1679(2) 0.1435(14) Uani 1 1 d . . . . .
C361 C 0.6975(5) 1.1682(5) 0.1020(5) 0.094(3) Uani 1 1 d . . . . .
D361 D 0.666211 1.191429 0.081584 0.113 Uiso 1 1 calc R U . . .
Cl5 Cl 0.7924(3) 0.6302(2) -0.1637(2) 0.1682(19) Uani 1 1 d . . . . .
Cl8 Cl 0.8168(3) 0.73525(19) -0.10690(15) 0.1387(15) Uani 1 1 d . . . . .
Cl9 Cl 0.7090(2) 0.7135(3) -0.1918(2) 0.174(2) Uani 1 1 d . . . . .
C362 C 0.7846(8) 0.7023(7) -0.1661(6) 0.122(5) Uani 1 1 d . . . . .
D362 D 0.809513 0.717239 -0.189868 0.147 Uiso 1 1 calc R U . . .
C301 C 0.7380(7) 0.8187(6) 0.4117(5) 0.131(3) Uani 1 1 d D . . . .
C302 C 0.8174(6) 0.7483(5) 0.4242(5) 0.123(2) Uani 1 1 d D . . . .
C303 C 0.7981(7) 0.8017(5) 0.4123(5) 0.130(3) Uani 1 1 d D . . . .
C304 C 0.8468(6) 0.7113(5) 0.3974(5) 0.119(2) Uani 1 1 d D . . . .
C305 C 0.7695(6) 0.7139(5) 0.4382(5) 0.124(3) Uani 1 1 d D . . . .
C306 C 0.8197(6) 0.8253(5) 0.3714(5) 0.129(2) Uani 1 1 d D . . . .
C307 C 0.8158(6) 0.6562(5) 0.3954(4) 0.109(2) Uani 1 1 d D . . . .
C308 C 0.8686(7) 0.7366(5) 0.3579(5) 0.132(3) Uani 1 1 d D . . . .
C309 C 0.7111(7) 0.7339(6) 0.4383(5) 0.130(3) Uani 1 1 d D . . . .
C310 C 0.7671(6) 0.6569(5) 0.4211(5) 0.111(2) Uani 1 1 d D . . . .
C311 C 0.7240(7) 0.8530(7) 0.3690(6) 0.140(3) Uani 1 1 d D . . . .
C312 C 0.6876(7) 0.7851(6) 0.4229(7) 0.147(3) Uani 1 1 d D . . . .
C313 C 0.7735(7) 0.8575(5) 0.3437(5) 0.127(2) Uani 1 1 d D . . . .
C314 C 0.8553(5) 0.7921(5) 0.3471(5) 0.122(2) Uani 1 1 d D . . . .
C315 C 0.8074(6) 0.6205(5) 0.3509(5) 0.115(3) Uani 1 1 d D . . . .
C316 C 0.8592(6) 0.6970(5) 0.3155(5) 0.120(3) Uani 1 1 d D . . . .
C317 C 0.6540(7) 0.6997(6) 0.4187(6) 0.135(3) Uani 1 1 d D . . . .
C318 C 0.7092(6) 0.6242(6) 0.4005(5) 0.116(3) Uani 1 1 d D . . . .
C319 C 0.6628(7) 0.8539(7) 0.3374(5) 0.138(3) Uani 1 1 d D . . . .
C320 C 0.6254(7) 0.7819(6) 0.3909(5) 0.130(3) Uani 1 1 d D . . . .
C321 C 0.7690(6) 0.8562(5) 0.2902(5) 0.123(3) Uani 1 1 d D . . . .
C322 C 0.8469(8) 0.7886(6) 0.2931(5) 0.140(3) Uani 1 1 d D . . . .
C323 C 0.7498(6) 0.5874(6) 0.3314(5) 0.120(3) Uani 1 1 d D . . . .
C324 C 0.8321(7) 0.6413(5) 0.3104(5) 0.120(3) Uani 1 1 d D . . . .
C325 C 0.8477(7) 0.7330(6) 0.2741(5) 0.130(3) Uani 1 1 d D . . . .
C326 C 0.6500(7) 0.6442(7) 0.3985(6) 0.139(3) Uani 1 1 d D . . . .
C327 C 0.6027(8) 0.7250(7) 0.3885(7) 0.152(4) Uani 1 1 d D . . . .
C328 C 0.6995(6) 0.5885(6) 0.3554(5) 0.122(3) Uani 1 1 d D . . . .
C329 C 0.6583(6) 0.8553(6) 0.2835(5) 0.123(3) Uani 1 1 d D . . . .
C330 C 0.6144(8) 0.8192(7) 0.3508(5) 0.138(3) Uani 1 1 d D . . . .
C331 C 0.7071(6) 0.8537(6) 0.2577(5) 0.124(3) Uani 1 1 d D . . . .
C332 C 0.8024(6) 0.8217(5) 0.2647(5) 0.123(3) Uani 1 1 d D . . . .
C333 C 0.7420(6) 0.5889(6) 0.2769(5) 0.124(3) Uani 1 1 d D . . . .
C334 C 0.7905(7) 0.6224(6) 0.2629(5) 0.121(3) Uani 1 1 d D . . . .
C335 C 0.8063(6) 0.7161(6) 0.2258(5) 0.127(3) Uani 1 1 d D . . . .
C336 C 0.6046(6) 0.6257(6) 0.3523(6) 0.132(3) Uani 1 1 d D . . . .
C337 C 0.5587(8) 0.7121(7) 0.3406(6) 0.147(3) Uani 1 1 d D . . . .
C338 C 0.6361(6) 0.5895(6) 0.3263(5) 0.130(3) Uani 1 1 d D . . . .
C339 C 0.6005(7) 0.8224(6) 0.2637(5) 0.126(3) Uani 1 1 d D . . . .
C340 C 0.5748(7) 0.7993(6) 0.3028(5) 0.130(3) Uani 1 1 d D . . . .
C341 C 0.6993(5) 0.8196(5) 0.2121(5) 0.108(2) Uani 1 1 d D . . . .
C342 C 0.7597(6) 0.8011(6) 0.2175(6) 0.132(3) Uani 1 1 d D . . . .
C343 C 0.6806(6) 0.5883(5) 0.2453(5) 0.126(3) Uani 1 1 d D . . . .
C344 C 0.7812(6) 0.6594(5) 0.2223(5) 0.119(3) Uani 1 1 d D . . . .
C345 C 0.7587(6) 0.7465(5) 0.1963(6) 0.124(3) Uani 1 1 d D . . . .
C346 C 0.5607(8) 0.6572(7) 0.3211(6) 0.152(4) Uani 1 1 d D . . . .
C347 C 0.5460(7) 0.7439(6) 0.2967(6) 0.136(3) Uani 1 1 d D . . . .
C348 C 0.6332(6) 0.5858(5) 0.2728(5) 0.124(2) Uani 1 1 d D . . . .
C349 C 0.5918(6) 0.7878(5) 0.2186(5) 0.113(2) Uani 1 1 d D . . . .
C350 C 0.6414(5) 0.7859(5) 0.1937(5) 0.104(2) Uani 1 1 d D . . . .
C351 C 0.6713(6) 0.6237(5) 0.2032(5) 0.119(2) Uani 1 1 d D . . . .
C352 C 0.7188(6) 0.6599(5) 0.1913(5) 0.120(3) Uani 1 1 d D . . . .
C353 C 0.7011(6) 0.7129(5) 0.1751(5) 0.118(3) Uani 1 1 d D . . . .
C354 C 0.5538(5) 0.6505(6) 0.2675(6) 0.127(2) Uani 1 1 d D . . . .
C355 C 0.5405(8) 0.7053(6) 0.2543(6) 0.140(3) Uani 1 1 d D . . . .
C356 C 0.5888(6) 0.6176(6) 0.2422(5) 0.131(3) Uani 1 1 d D . . . .
C357 C 0.5632(6) 0.7320(5) 0.2157(5) 0.122(3) Uani 1 1 d D . . . .
C358 C 0.6411(5) 0.7300(5) 0.1752(5) 0.108(2) Uani 1 1 d D . . . .
C359 C 0.6105(6) 0.6405(5) 0.2007(5) 0.123(2) Uani 1 1 d D . . . .
C360 C 0.5935(6) 0.6949(5) 0.1894(5) 0.115(2) Uani 1 1 d D . . . .
Au14 Au 0.9115(2) 0.95479(18) 0.38762(19) 0.105(2) Uani 0.283(10) 1 d . . P C 2
Au15 Au 0.7855(2) 1.0054(3) 0.3143(2) 0.124(2) Uani 0.283(10) 1 d . . P C 2
Au13 Au 0.7863(2) 0.9713(2) 0.4323(2) 0.113(2) Uani 0.283(10) 1 d . . P C 2
Au17 Au 0.8933(3) 0.5131(3) 0.3633(5) 0.133(2) Uani 0.217(6) 1 d . . P D 2
Au16 Au 0.9978(3) 0.6243(3) 0.3688(4) 0.130(2) Uani 0.217(6) 1 d . U P D 2
Au18 Au 0.9313(3) 0.5563(4) 0.2585(4) 0.128(2) Uani 0.217(6) 1 d . U P D 2
Au19 Au 0.50397(10) 0.71607(9) 0.07492(9) 0.0699(13) Uani 0.487(19) 1 d . . P B
2
Au20 Au 0.61709(11) 0.81395(10) 0.06985(10) 0.0772(15) Uani 0.487(19) 1 d . . P
B 2
Au21 Au 0.63729(10) 0.67920(10) 0.05434(9) 0.0810(16) Uani 0.487(19) 1 d . . P
B 2
Au22 Au 0.54672(14) 0.57743(15) 0.45913(14) 0.0888(18) Uani 0.398(19) 1 d . . P
A 2
Au23 Au 0.43229(16) 0.61036(18) 0.36279(14) 0.0921(19) Uani 0.398(19) 1 d . . P
A 2
Au24 Au 0.49904(16) 0.70428(19) 0.45982(14) 0.099(2) Uani 0.398(19) 1 d . . P A
2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.345(2) . ?
Au1 Au3 3.3519(17) . ?
Au1 N1 2.014(7) . ?
Au1 N6 1.975(7) . ?
Au2 Au3 3.3152(14) . ?
Au2 N2 2.006(8) . ?
Au2 N3 1.987(7) . ?
Au3 N4 1.982(7) . ?
Au3 N5 1.998(7) . ?
Au4 Au5 3.328(2) . ?
Au4 Au6 3.3250(14) . ?
Au4 N7 1.994(7) . ?
Au4 N12 1.987(6) . ?
Au5 Au6 3.3678(15) . ?
Au5 N8 1.994(6) . ?
Au5 N9 1.987(7) . ?
Au6 N10 1.990(7) . ?
Au6 N11 2.009(6) . ?
Au7 Au8 3.3578(14) . ?
Au7 Au9 3.3409(9) . ?
Au7 N13 2.000(8) . ?
Au7 N18 1.993(7) . ?
Au8 Au9 3.3460(12) . ?
Au8 N14 2.020(7) . ?
Au8 N15 1.996(7) . ?
Au9 N16 2.005(7) . ?
Au9 N17 2.038(8) . ?
Au10 Au11 3.3314(10) . ?
Au10 Au12 3.3097(12) . ?
Au10 N35 1.997(8) . ?
Au10 N37 1.989(8) . ?
Au11 Au12 3.3696(12) . ?
Au11 N36 2.013(9) . ?
Au11 N40 1.986(9) . ?
Au12 N38 1.969(9) . ?
Au12 N39 2.030(9) . ?
N1 N2 1.345(10) . ?
N1 C1 1.338(11) . ?
N1 Au23 1.949(8) . ?
N2 C3 1.329(11) . ?
N2 Au24 1.996(8) . ?
N3 N4 1.383(10) . ?
N3 C58 1.367(11) . ?
N3 Au24 1.997(8) . ?
N4 C60 1.346(11) . ?
N4 Au22 1.990(8) . ?
N5 N6 1.353(10) . ?
N5 C112 1.338(11) . ?
N5 Au22 1.991(8) . ?
N6 C114 1.352(12) . ?
N6 Au23 2.040(8) . ?
N7 N8 1.388(8) . ?
N7 C33 1.345(10) . ?
N7 Au19 1.989(7) . ?
N8 C32 1.339(10) . ?
N8 Au20 1.980(7) . ?
N9 N10 1.383(10) . ?
N9 C168 1.358(9) . ?
N9 Au20 2.000(7) . ?
N10 C166 1.341(10) . ?
N10 Au21 2.000(7) . ?
N11 N12 1.382(8) . ?
N11 C140 1.342(10) . ?
N11 Au21 1.999(7) . ?
N12 C141 1.353(9) . ?
N12 Au19 1.991(6) . ?
N13 N14 1.341(11) . ?
N13 C51 1.353(11) . ?
N13 Au15 1.946(9) . ?
N14 C50 1.344(11) . ?
N14 Au13 1.946(9) . ?
N15 N16 1.359(9) . ?
N15 C104 1.337(11) . ?
N15 Au13 2.071(8) . ?
N16 C105 1.332(10) . ?
N16 Au14 2.072(9) . ?
N17 N18 1.340(10) . ?
N17 C194 1.333(11) . ?
N17 Au14 1.972(9) . ?
N18 C195 1.349(11) . ?
N18 Au15 2.055(9) . ?
N19 C19 1.045(17) . ?
N19 C20 1.477(13) . ?
N20 C21 1.476(12) . ?
N20 C22 1.463(12) . ?
N20 C40 1.436(12) . ?
N21 C23 1.457(12) . ?
N21 C24 1.250(11) . ?
N22 C41 1.451(12) . ?
N22 C42 1.232(14) . ?
N23 C73 1.259(12) . ?
N23 C74 1.459(13) . ?
N24 C75 1.465(14) . ?
N24 C76 1.474(13) . ?
N24 C94 1.434(13) . ?
N25 C95 1.489(14) . ?
N25 C96 1.245(12) . ?
N26 C77 1.455(14) . ?
N26 C78 1.248(14) . ?
N27 C127 1.288(14) . ?
N27 C128 1.494(14) . ?
N28 C129 1.451(12) . ?
N28 C130 1.465(12) . ?
N28 C148 1.444(13) . ?
N29 C149 1.433(12) . ?
N29 C150 1.254(13) . ?
N30 C131 1.476(11) . ?
N30 C132 1.264(12) . ?
N31 C181 1.259(11) . ?
N31 C182 1.439(12) . ?
N32 C183 1.503(12) . ?
N32 C184 1.464(12) . ?
N32 C202 1.440(12) . ?
N33 C185 1.401(13) . ?
N33 C186 1.173(13) . ?
N34 C203 1.471(14) . ?
N34 C204 1.184(12) . ?
N35 N40 1.348(12) . ?
N35 C212 1.336(13) . ?
N35 Au18 1.970(10) . ?
N36 N39 1.367(10) . ?
N36 C87 1.337(13) . ?
N36 Au16 1.708(11) . ?
N37 N38 1.372(12) . ?
N37 C159 1.355(13) . ?
N37 Au18 2.118(11) . ?
N38 C158 1.359(11) . ?
N38 Au17 2.386(16) . ?
N39 C86 1.352(13) . ?
N39 Au17 1.624(15) . ?
N40 C213 1.348(12) . ?
N40 Au16 2.330(13) . ?
C1 C2 1.372(14) . ?
C1 C4 1.511(15) . ?
C2 C3 1.404(14) . ?
C2 C13 1.500(10) . ?
C3 C9 1.511(15) . ?
C4 H4A 1.0000 . ?
C4 H4B 1.0000 . ?
C4 C5 1.516(15) . ?
C4 C6 1.529(15) . ?
C4 C7 1.488(15) . ?
C4 C8 1.493(15) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 1.0000 . ?
C9 H9B 1.0000 . ?
C9 C10 1.547(16) . ?
C9 C11 1.489(18) . ?
C9 C12 1.498(16) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.3900 . ?
C13 C14 1.3900 . ?
C18 H18 0.9500 . ?
C18 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C16 1.3900 . ?
C16 C15 1.3900 . ?
C16 C19 1.515(14) . ?
C15 H15 0.9500 . ?
C15 C14 1.3900 . ?
C14 H14 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.508(15) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.538(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24 0.9500 . ?
C24 C25 1.496(9) . ?
C28 C27 1.3900 . ?
C28 C29 1.3900 . ?
C28 C31 1.498(9) . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C25 1.3900 . ?
C25 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C29 1.3900 . ?
C29 H29 0.9500 . ?
C31 C32 1.407(10) . ?
C31 C33 1.378(11) . ?
C32 C38 1.505(11) . ?
C33 C34 1.512(11) . ?
C34 H34 1.0000 . ?
C34 C35 1.535(15) . ?
C34 C36 1.506(15) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C37 C38 1.520(12) . ?
C38 H38 1.0000 . ?
C38 C39 1.543(14) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.558(15) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42 0.9500 . ?
C42 C43 1.485(10) . ?
C46 C300 1.3900 . ?
C46 C45 1.3900 . ?
C46 C49 1.509(9) . ?
C300 H300 0.9500 . ?
C300 C48 1.3900 . ?
C48 H48 0.9500 . ?
C48 C43 1.3900 . ?
C43 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C45 1.3900 . ?
C45 H45 0.9500 . ?
C49 C50 1.388(13) . ?
C49 C51 1.393(13) . ?
C50 C52 1.519(15) . ?
C51 C55 1.497(14) . ?
C52 H52 1.0000 . ?
C52 C53 1.503(19) . ?
C52 C54 1.513(17) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55 1.0000 . ?
C55 C56 1.503(14) . ?
C55 C57 1.537(18) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.381(13) . ?
C58 C61 1.524(13) . ?
C59 C60 1.406(13) . ?
C59 C67 1.493(13) . ?
C60 C64 1.490(13) . ?
C61 H61 1.0000 . ?
C61 C62 1.520(16) . ?
C61 C63 1.489(16) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64 1.0000 . ?
C64 C65 1.533(13) . ?
C64 C66 1.376(15) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.353(13) . ?
C67 C72 1.410(14) . ?
C68 H68 0.9500 . ?
C68 C69 1.393(13) . ?
C69 H69 0.9500 . ?
C69 C70 1.370(13) . ?
C70 C71 1.404(13) . ?
C70 C73 1.463(13) . ?
C71 H71 0.9500 . ?
C71 C72 1.366(13) . ?
C72 H72 0.9500 . ?
C73 H73 0.9500 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 C75 1.509(15) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.530(15) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78 0.9500 . ?
C78 C79 1.490(14) . ?
C79 C80 1.372(14) . ?
C79 C84 1.389(13) . ?
C80 H80 0.9500 . ?
C80 C81 1.389(15) . ?
C81 H81 0.9500 . ?
C81 C82 1.384(13) . ?
C82 C83 1.404(15) . ?
C82 C85 1.488(15) . ?
C83 H83 0.9500 . ?
C83 C84 1.362(15) . ?
C84 H84 0.9500 . ?
C85 C86 1.359(14) . ?
C85 C87 1.409(13) . ?
C86 C88 1.511(13) . ?
C86 Au17 2.649(17) . ?
C87 C91 1.538(14) . ?
C87 Au16 2.692(15) . ?
C88 H88 1.0000 . ?
C88 C89 1.479(15) . ?
C88 C90 1.511(13) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91 1.0000 . ?
C91 C92 1.487(18) . ?
C91 C93 1.517(16) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C94 C95 1.510(16) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96 0.9500 . ?
C96 C97 1.476(13) . ?
C97 C98 1.391(13) . ?
C97 C102 1.369(13) . ?
C98 H98 0.9500 . ?
C98 C99 1.382(13) . ?
C99 H99 0.9500 . ?
C99 C100 1.392(12) . ?
C100 C101 1.370(12) . ?
C100 C103 1.496(12) . ?
C101 H101 0.9500 . ?
C101 C102 1.378(14) . ?
C102 H102 0.9500 . ?
C103 C104 1.401(12) . ?
C103 C105 1.373(12) . ?
C104 C106 1.498(12) . ?
C105 C109 1.510(11) . ?
C106 H106 1.0000 . ?
C106 C107 1.515(13) . ?
C106 C108 1.504(14) . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 H109 1.0000 . ?
C109 C110 1.539(12) . ?
C109 C111 1.528(12) . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C111 H11I 0.9800 . ?
C112 C113 1.392(13) . ?
C112 C115 1.482(12) . ?
C113 C114 1.375(13) . ?
C113 C121 1.496(11) . ?
C114 C118 1.488(13) . ?
C115 H115 1.0000 . ?
C115 C116 1.522(14) . ?
C115 C117 1.513(13) . ?
C116 H11J 0.9800 . ?
C116 H11K 0.9800 . ?
C116 H11L 0.9800 . ?
C117 H11M 0.9800 . ?
C117 H11N 0.9800 . ?
C117 H11O 0.9800 . ?
C118 H118 1.0000 . ?
C118 C119 1.457(12) . ?
C118 C120 1.468(12) . ?
C119 H11P 0.9800 . ?
C119 H11Q 0.9800 . ?
C119 H11R 0.9800 . ?
C120 H12D 0.9800 . ?
C120 H12E 0.9800 . ?
C120 H12F 0.9800 . ?
C121 C126 1.3900 . ?
C121 C122 1.3900 . ?
C126 H126 0.9500 . ?
C126 C125 1.3900 . ?
C125 H125 0.9500 . ?
C125 C124 1.3900 . ?
C124 C123 1.3900 . ?
C124 C127 1.481(13) . ?
C123 H123 0.9500 . ?
C123 C122 1.3900 . ?
C122 H122 0.9500 . ?
C127 H127 0.9500 . ?
C128 H12G 0.9900 . ?
C128 H12H 0.9900 . ?
C128 C129 1.489(14) . ?
C129 H12I 0.9900 . ?
C129 H12J 0.9900 . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C130 C131 1.497(15) . ?
C131 H13C 0.9900 . ?
C131 H13D 0.9900 . ?
C132 H132 0.9500 . ?
C132 C133 1.487(11) . ?
C133 C134 1.384(12) . ?
C133 C138 1.375(13) . ?
C134 H134 0.9500 . ?
C134 C135 1.371(11) . ?
C135 H135 0.9500 . ?
C135 C136 1.416(12) . ?
C136 C137 1.406(12) . ?
C136 C139 1.474(11) . ?
C137 H137 0.9500 . ?
C137 C138 1.405(12) . ?
C138 H138 0.9500 . ?
C139 C140 1.392(10) . ?
C139 C141 1.390(11) . ?
C140 C142 1.506(10) . ?
C141 C145 1.522(10) . ?
C142 H142 1.0000 . ?
C142 C143 1.532(12) . ?
C142 C144 1.526(12) . ?
C143 H14A 0.9800 . ?
C143 H14B 0.9800 . ?
C143 H14C 0.9800 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C145 H145 1.0000 . ?
C145 C146 1.536(13) . ?
C145 C147 1.540(13) . ?
C146 H14G 0.9800 . ?
C146 H14H 0.9800 . ?
C146 H14I 0.9800 . ?
C147 H14J 0.9800 . ?
C147 H14K 0.9800 . ?
C147 H14L 0.9800 . ?
C148 H14M 0.9900 . ?
C148 H14N 0.9900 . ?
C148 C149 1.555(14) . ?
C149 H14O 0.9900 . ?
C149 H14P 0.9900 . ?
C150 H150 0.9500 . ?
C150 C151 1.501(13) . ?
C151 C152 1.405(13) . ?
C151 C156 1.334(14) . ?
C152 H152 0.9500 . ?
C152 C153 1.373(14) . ?
C153 H153 0.9500 . ?
C153 C154 1.433(14) . ?
C154 C155 1.386(12) . ?
C154 C157 1.445(13) . ?
C155 H155 0.9500 . ?
C155 C156 1.397(13) . ?
C156 H156 0.9500 . ?
C157 C158 1.447(15) . ?
C157 C159 1.402(13) . ?
C158 C160 1.498(14) . ?
C159 C163 1.488(15) . ?
C160 H160 1.0000 . ?
C160 C161 1.510(15) . ?
C160 C162 1.500(16) . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C163 H163 1.0000 . ?
C163 C164 1.510(14) . ?
C163 C165 1.502(14) . ?
C164 H16G 0.9800 . ?
C164 H16H 0.9800 . ?
C164 H16I 0.9800 . ?
C165 H16J 0.9800 . ?
C165 H16K 0.9800 . ?
C165 H16L 0.9800 . ?
C166 C167 1.414(12) . ?
C166 C169 1.497(13) . ?
C167 C168 1.382(12) . ?
C167 C175 1.494(8) . ?
C168 C172 1.494(12) . ?
C169 H169 1.0000 . ?
C169 C170 1.529(16) . ?
C169 C171 1.492(15) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C172 H172 1.0000 . ?
C172 C173 1.518(11) . ?
C172 C174 1.532(13) . ?
C173 H17G 0.9800 . ?
C173 H17H 0.9800 . ?
C173 H17I 0.9800 . ?
C174 H17J 0.9800 . ?
C174 H17K 0.9800 . ?
C174 H17L 0.9800 . ?
C175 C180 1.3900 . ?
C175 C176 1.3900 . ?
C180 H180 0.9500 . ?
C180 C179 1.3900 . ?
C179 H179 0.9500 . ?
C179 C178 1.3900 . ?
C178 C177 1.3900 . ?
C178 C181 1.489(9) . ?
C177 H177 0.9500 . ?
C177 C176 1.3900 . ?
C176 H176 0.9500 . ?
C181 H181 0.9500 . ?
C182 H18A 0.9900 . ?
C182 H18B 0.9900 . ?
C182 C183 1.540(14) . ?
C183 H18C 0.9900 . ?
C183 H18D 0.9900 . ?
C184 H18E 0.9900 . ?
C184 H18F 0.9900 . ?
C184 C185 1.493(13) . ?
C185 H18G 0.9900 . ?
C185 H18H 0.9900 . ?
C186 H186 0.9500 . ?
C186 C187 1.536(9) . ?
C190 C191 1.3900 . ?
C190 C189 1.3900 . ?
C190 C193 1.543(11) . ?
C191 H191 0.9500 . ?
C191 C192 1.3900 . ?
C192 H192 0.9500 . ?
C192 C187 1.3900 . ?
C187 C188 1.3900 . ?
C188 H188 0.9500 . ?
C188 C189 1.3900 . ?
C189 H189 0.9500 . ?
C193 C194 1.379(12) . ?
C193 C195 1.383(12) . ?
C194 C196 1.505(13) . ?
C195 C199 1.504(12) . ?
C196 H196 1.0000 . ?
C196 C197 1.493(19) . ?
C196 C198 1.546(15) . ?
C197 H19A 0.9800 . ?
C197 H19B 0.9800 . ?
C197 H19C 0.9800 . ?
C198 H19D 0.9800 . ?
C198 H19E 0.9800 . ?
C198 H19F 0.9800 . ?
C199 H199 1.0000 . ?
C199 C200 1.529(13) . ?
C199 C201 1.523(17) . ?
C200 H20C 0.9800 . ?
C200 H20D 0.9800 . ?
C200 H20E 0.9800 . ?
C201 H20F 0.9800 . ?
C201 H20G 0.9800 . ?
C201 H20H 0.9800 . ?
C202 H20I 0.9900 . ?
C202 H20J 0.9900 . ?
C202 C203 1.513(15) . ?
C203 H20K 0.9900 . ?
C203 H20L 0.9900 . ?
C204 H204 0.9500 . ?
C204 C205 1.543(11) . ?
C208 C209 1.3900 . ?
C208 C207 1.3900 . ?
C208 C211 1.520(11) . ?
C209 H209 0.9500 . ?
C209 C210 1.3900 . ?
C210 H210 0.9500 . ?
C210 C205 1.3900 . ?
C205 C206 1.3900 . ?
C206 H206 0.9500 . ?
C206 C207 1.3900 . ?
C207 H207 0.9500 . ?
C211 C212 1.420(14) . ?
C211 C213 1.330(14) . ?
C212 C214 1.472(16) . ?
C213 C217 1.520(15) . ?
C214 H214 1.0000 . ?
C214 C215 1.53(2) . ?
C214 C216 1.53(2) . ?
C215 H21C 0.9800 . ?
C215 H21D 0.9800 . ?
C215 H21E 0.9800 . ?
C216 H21F 0.9800 . ?
C216 H21G 0.9800 . ?
C216 H21H 0.9800 . ?
C217 H217 1.0000 . ?
C217 C218 1.489(17) . ?
C217 C219 1.490(18) . ?
C218 H21I 0.9800 . ?
C218 H21J 0.9800 . ?
C218 H21K 0.9800 . ?
C219 H21L 0.9800 . ?
C219 H21M 0.9800 . ?
C219 H21N 0.9800 . ?
Cl1 C361 1.730(12) . ?
Cl4 C361 1.767(14) . ?
Cl6 C361 1.772(15) . ?
C361 D361 1.0000 . ?
Cl5 C362 1.771(17) . ?
Cl8 C362 1.722(16) . ?
Cl9 C362 1.698(18) . ?
C362 D362 1.0000 . ?
C301 C303 1.426(7) . ?
C301 C311 1.433(7) . ?
C301 C312 1.423(7) . ?
C302 C303 1.420(7) . ?
C302 C304 1.426(7) . ?
C302 C305 1.425(7) . ?
C303 C306 1.422(7) . ?
C304 C307 1.438(7) . ?
C304 C308 1.411(7) . ?
C305 C309 1.422(7) . ?
C305 C310 1.432(7) . ?
C306 C313 1.422(7) . ?
C306 C314 1.423(7) . ?
C307 C310 1.419(7) . ?
C307 C315 1.419(7) . ?
C308 C314 1.426(7) . ?
C308 C316 1.431(7) . ?
C309 C312 1.422(7) . ?
C309 C317 1.425(7) . ?
C310 C318 1.427(7) . ?
C311 C313 1.425(7) . ?
C311 C319 1.418(7) . ?
C312 C320 1.432(7) . ?
C313 C321 1.421(7) . ?
C314 C322 1.422(7) . ?
C315 C323 1.419(7) . ?
C315 C324 1.426(7) . ?
C316 C324 1.416(7) . ?
C316 C325 1.427(7) . ?
C317 C326 1.420(7) . ?
C317 C327 1.428(7) . ?
C318 C326 1.425(7) . ?
C318 C328 1.429(7) . ?
C319 C329 1.437(7) . ?
C319 C330 1.429(7) . ?
C320 C327 1.420(7) . ?
C320 C330 1.420(7) . ?
C321 C331 1.433(7) . ?
C321 C332 1.427(7) . ?
C322 C325 1.429(7) . ?
C322 C332 1.419(7) . ?
C323 C328 1.422(7) . ?
C323 C333 1.440(7) . ?
C324 C334 1.419(7) . ?
C325 C335 1.424(7) . ?
C326 C336 1.431(7) . ?
C327 C337 1.422(7) . ?
C328 C338 1.437(7) . ?
C329 C331 1.423(7) . ?
C329 C339 1.422(7) . ?
C330 C340 1.418(7) . ?
C331 C341 1.424(7) . ?
C332 C342 1.434(7) . ?
C333 C334 1.425(7) . ?
C333 C343 1.417(7) . ?
C334 C344 1.425(7) . ?
C335 C344 1.428(7) . ?
C335 C345 1.433(7) . ?
C336 C338 1.432(7) . ?
C336 C346 1.416(7) . ?
C337 C346 1.421(7) . ?
C337 C347 1.419(7) . ?
C338 C348 1.428(7) . ?
C339 C340 1.426(7) . ?
C339 C349 1.418(7) . ?
C340 C347 1.421(7) . ?
C341 C342 1.425(7) . ?
C341 C350 1.429(7) . ?
C342 C345 1.418(7) . ?
C343 C348 1.427(7) . ?
C343 C351 1.431(7) . ?
C344 C352 1.432(7) . ?
C345 C353 1.434(7) . ?
C346 C354 1.422(7) . ?
C347 C355 1.427(7) . ?
C348 C356 1.422(7) . ?
C349 C350 1.424(7) . ?
C349 C357 1.433(7) . ?
C350 C358 1.428(7) . ?
C351 C352 1.414(7) . ?
C351 C359 1.430(7) . ?
C352 C353 1.428(7) . ?
C353 C358 1.426(7) . ?
C354 C355 1.422(7) . ?
C354 C356 1.424(7) . ?
C355 C357 1.414(7) . ?
C356 C359 1.434(7) . ?
C357 C360 1.435(7) . ?
C358 C360 1.430(7) . ?
C359 C360 1.423(7) . ?
Au14 Au15 3.359(6) . ?
Au14 Au13 3.332(6) . ?
Au15 Au13 3.313(7) . ?
Au17 Au16 3.372(9) . ?
Au17 Au18 3.318(7) . ?
Au16 Au18 3.295(8) . ?
Au19 Au20 3.330(3) . ?
Au19 Au21 3.326(3) . ?
Au20 Au21 3.358(3) . ?
Au22 Au23 3.332(4) . ?
Au22 Au24 3.335(4) . ?
Au23 Au24 3.370(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au3 59.34(4) . . ?
N1 Au1 Au2 60.0(2) . . ?
N1 Au1 Au3 119.3(2) . . ?
N6 Au1 Au2 119.5(2) . . ?
N6 Au1 Au3 60.2(2) . . ?
N6 Au1 N1 178.3(3) . . ?
Au3 Au2 Au1 60.43(4) . . ?
N2 Au2 Au1 60.4(2) . . ?
N2 Au2 Au3 120.8(2) . . ?
N3 Au2 Au1 121.1(2) . . ?
N3 Au2 Au3 60.7(2) . . ?
N3 Au2 N2 176.9(3) . . ?
Au2 Au3 Au1 60.23(4) . . ?
N4 Au3 Au1 121.1(2) . . ?
N4 Au3 Au2 61.0(2) . . ?
N4 Au3 N5 176.6(3) . . ?
N5 Au3 Au1 59.4(2) . . ?
N5 Au3 Au2 119.6(2) . . ?
Au6 Au4 Au5 60.82(4) . . ?
N7 Au4 Au5 60.69(18) . . ?
N7 Au4 Au6 121.49(18) . . ?
N12 Au4 Au5 121.28(17) . . ?
N12 Au4 Au6 60.54(17) . . ?
N12 Au4 N7 175.5(3) . . ?
Au4 Au5 Au6 59.54(3) . . ?
N8 Au5 Au4 61.09(18) . . ?
N8 Au5 Au6 120.61(18) . . ?
N9 Au5 Au4 119.1(2) . . ?
N9 Au5 Au6 59.61(19) . . ?
N9 Au5 N8 178.7(3) . . ?
Au4 Au6 Au5 59.64(4) . . ?
N10 Au6 Au4 119.1(2) . . ?
N10 Au6 Au5 60.1(2) . . ?
N10 Au6 N11 179.2(3) . . ?
N11 Au6 Au4 60.72(18) . . ?
N11 Au6 Au5 119.59(18) . . ?
Au9 Au7 Au8 59.93(3) . . ?
N13 Au7 Au8 59.9(2) . . ?
N13 Au7 Au9 119.7(2) . . ?
N18 Au7 Au8 120.5(2) . . ?
N18 Au7 Au9 60.7(2) . . ?
N18 Au7 N13 179.2(3) . . ?
Au9 Au8 Au7 59.78(2) . . ?
N14 Au8 Au7 59.7(2) . . ?
N14 Au8 Au9 119.5(2) . . ?
N15 Au8 Au7 120.3(2) . . ?
N15 Au8 Au9 60.5(2) . . ?
N15 Au8 N14 177.5(3) . . ?
Au7 Au9 Au8 60.28(2) . . ?
N16 Au9 Au7 119.81(19) . . ?
N16 Au9 Au8 59.78(19) . . ?
N16 Au9 N17 179.4(3) . . ?
N17 Au9 Au7 59.7(2) . . ?
N17 Au9 Au8 119.8(2) . . ?
Au12 Au10 Au11 60.98(3) . . ?
N35 Au10 Au11 59.3(3) . . ?
N35 Au10 Au12 120.1(3) . . ?
N37 Au10 Au11 120.4(3) . . ?
N37 Au10 Au12 59.9(3) . . ?
N37 Au10 N35 177.6(3) . . ?
Au10 Au11 Au12 59.19(2) . . ?
N36 Au11 Au10 119.4(2) . . ?
N36 Au11 Au12 60.4(2) . . ?
N40 Au11 Au10 60.9(3) . . ?
N40 Au11 Au12 120.0(3) . . ?
N40 Au11 N36 179.4(4) . . ?
Au10 Au12 Au11 59.83(2) . . ?
N38 Au12 Au10 61.3(2) . . ?
N38 Au12 Au11 121.1(2) . . ?
N38 Au12 N39 176.0(3) . . ?
N39 Au12 Au10 119.8(2) . . ?
N39 Au12 Au11 60.0(2) . . ?
N2 N1 Au1 120.0(6) . . ?
N2 N1 Au23 120.1(6) . . ?
C1 N1 Au1 131.2(7) . . ?
C1 N1 N2 108.6(8) . . ?
C1 N1 Au23 131.1(7) . . ?
N1 N2 Au2 119.6(5) . . ?
N1 N2 Au24 121.6(6) . . ?
C3 N2 Au2 131.1(7) . . ?
C3 N2 N1 109.0(8) . . ?
C3 N2 Au24 129.1(7) . . ?
N4 N3 Au2 119.3(5) . . ?
N4 N3 Au24 121.3(6) . . ?
C58 N3 Au2 132.8(6) . . ?
C58 N3 N4 107.5(7) . . ?
C58 N3 Au24 130.6(6) . . ?
N3 N4 Au3 119.0(5) . . ?
N3 N4 Au22 117.4(6) . . ?
C60 N4 Au3 131.4(6) . . ?
C60 N4 N3 109.2(7) . . ?
C60 N4 Au22 132.8(6) . . ?
N6 N5 Au3 120.4(5) . . ?
N6 N5 Au22 118.6(6) . . ?
C112 N5 Au3 129.6(6) . . ?
C112 N5 N6 109.4(7) . . ?
C112 N5 Au22 131.1(6) . . ?
N5 N6 Au1 120.0(6) . . ?
N5 N6 Au23 120.1(6) . . ?
C114 N6 Au1 131.6(6) . . ?
C114 N6 N5 108.4(7) . . ?
C114 N6 Au23 131.4(6) . . ?
N8 N7 Au4 119.6(5) . . ?
N8 N7 Au19 120.2(5) . . ?
C33 N7 Au4 132.2(5) . . ?
C33 N7 N8 108.2(6) . . ?
C33 N7 Au19 131.5(5) . . ?
N7 N8 Au5 118.7(5) . . ?
N7 N8 Au20 118.4(5) . . ?
C32 N8 Au5 134.0(5) . . ?
C32 N8 N7 107.3(6) . . ?
C32 N8 Au20 134.3(5) . . ?
N10 N9 Au5 120.2(5) . . ?
N10 N9 Au20 119.7(5) . . ?
C168 N9 Au5 131.2(6) . . ?
C168 N9 N10 108.3(7) . . ?
C168 N9 Au20 131.5(6) . . ?
N9 N10 Au6 118.7(5) . . ?
N9 N10 Au21 118.3(5) . . ?
C166 N10 Au6 131.9(6) . . ?
C166 N10 N9 108.1(6) . . ?
C166 N10 Au21 132.4(6) . . ?
N12 N11 Au6 117.4(5) . . ?
N12 N11 Au21 116.8(5) . . ?
C140 N11 Au6 133.4(5) . . ?
C140 N11 N12 109.2(6) . . ?
C140 N11 Au21 133.9(5) . . ?
N11 N12 Au4 119.5(5) . . ?
N11 N12 Au19 120.1(5) . . ?
C141 N12 Au4 131.1(5) . . ?
C141 N12 N11 107.3(6) . . ?
C141 N12 Au19 130.4(5) . . ?
N14 N13 Au7 120.4(5) . . ?
N14 N13 C51 107.6(8) . . ?
N14 N13 Au15 121.9(6) . . ?
C51 N13 Au7 131.9(7) . . ?
C51 N13 Au15 130.1(7) . . ?
N13 N14 Au8 119.4(5) . . ?
N13 N14 C50 110.3(7) . . ?
N13 N14 Au13 118.2(6) . . ?
C50 N14 Au8 129.7(7) . . ?
C50 N14 Au13 131.0(7) . . ?
N16 N15 Au8 119.1(5) . . ?
N16 N15 Au13 117.9(5) . . ?
C104 N15 Au8 131.3(6) . . ?
C104 N15 N16 109.0(7) . . ?
C104 N15 Au13 132.5(6) . . ?
N15 N16 Au9 120.1(5) . . ?
N15 N16 Au14 118.7(5) . . ?
C105 N16 Au9 131.4(6) . . ?
C105 N16 N15 108.5(7) . . ?
C105 N16 Au14 132.8(6) . . ?
N18 N17 Au9 119.3(6) . . ?
N18 N17 Au14 117.7(6) . . ?
C194 N17 Au9 129.3(6) . . ?
C194 N17 N18 111.1(7) . . ?
C194 N17 Au14 130.9(6) . . ?
N17 N18 Au7 120.2(6) . . ?
N17 N18 C195 106.3(7) . . ?
N17 N18 Au15 122.3(6) . . ?
C195 N18 Au7 133.2(6) . . ?
C195 N18 Au15 131.4(6) . . ?
C19 N19 C20 124.5(15) . . ?
C22 N20 C21 109.4(7) . . ?
C40 N20 C21 109.9(8) . . ?
C40 N20 C22 110.4(8) . . ?
C24 N21 C23 117.0(9) . . ?
C42 N22 C41 119.7(10) . . ?
C73 N23 C74 119.9(9) . . ?
C75 N24 C76 111.6(9) . . ?
C94 N24 C75 112.9(9) . . ?
C94 N24 C76 110.5(9) . . ?
C96 N25 C95 116.4(10) . . ?
C78 N26 C77 119.0(10) . . ?
C127 N27 C128 115.5(10) . . ?
C129 N28 C130 110.4(8) . . ?
C148 N28 C129 111.0(8) . . ?
C148 N28 C130 112.0(8) . . ?
C150 N29 C149 118.3(9) . . ?
C132 N30 C131 118.0(9) . . ?
C181 N31 C182 116.8(10) . . ?
C184 N32 C183 107.6(8) . . ?
C202 N32 C183 109.9(8) . . ?
C202 N32 C184 111.6(7) . . ?
C186 N33 C185 120.8(11) . . ?
C204 N34 C203 112.7(11) . . ?
N40 N35 Au10 121.4(6) . . ?
N40 N35 Au18 108.0(7) . . ?
C212 N35 Au10 128.8(8) . . ?
C212 N35 N40 109.5(8) . . ?
C212 N35 Au18 141.7(8) . . ?
N39 N36 Au11 119.5(7) . . ?
N39 N36 Au16 127.4(8) . . ?
C87 N36 Au11 132.2(7) . . ?
C87 N36 N39 108.3(8) . . ?
C87 N36 Au16 123.8(8) . . ?
N38 N37 Au10 120.2(6) . . ?
N38 N37 Au18 108.4(7) . . ?
C159 N37 Au10 129.9(7) . . ?
C159 N37 N38 109.9(8) . . ?
C159 N37 Au18 141.4(8) . . ?
N37 N38 Au12 118.1(6) . . ?
N37 N38 Au17 122.2(6) . . ?
C158 N38 Au12 133.0(7) . . ?
C158 N38 N37 108.0(8) . . ?
C158 N38 Au17 128.3(7) . . ?
N36 N39 Au12 119.3(7) . . ?
N36 N39 Au17 124.8(7) . . ?
C86 N39 Au12 131.8(6) . . ?
C86 N39 N36 107.8(8) . . ?
C86 N39 Au17 125.5(7) . . ?
N35 N40 Au11 118.3(6) . . ?
N35 N40 Au16 124.8(6) . . ?
C213 N40 Au11 133.6(8) . . ?
C213 N40 N35 107.9(9) . . ?
C213 N40 Au16 127.2(8) . . ?
N1 C1 C2 109.0(9) . . ?
N1 C1 C4 121.8(9) . . ?
C2 C1 C4 129.2(9) . . ?
C1 C2 C3 105.2(8) . . ?
C1 C2 C13 127.8(9) . . ?
C3 C2 C13 126.9(9) . . ?
N2 C3 C2 108.2(9) . . ?
N2 C3 C9 119.7(9) . . ?
C2 C3 C9 131.9(9) . . ?
C1 C4 H4A 101.6 . . ?
C1 C4 H4B 103.4 . . ?
C1 C4 C5 121.6(13) . . ?
C1 C4 C6 113.8(12) . . ?
C5 C4 H4A 101.6 . . ?
C5 C4 C6 112.7(14) . . ?
C6 C4 H4A 101.6 . . ?
C7 C4 C1 113.8(14) . . ?
C7 C4 H4B 103.4 . . ?
C7 C4 C8 119.1(15) . . ?
C8 C4 C1 111.5(13) . . ?
C8 C4 H4B 103.4 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.3 . . ?
C3 C9 H9B 95.3 . . ?
C3 C9 C10 108.0(16) . . ?
C10 C9 H9A 109.3 . . ?
C11 C9 C3 113.4(12) . . ?
C11 C9 H9A 109.3 . . ?
C11 C9 H9B 95.3 . . ?
C11 C9 C10 107.3(15) . . ?
C11 C9 C12 129.9(15) . . ?
C12 C9 C3 114.0(14) . . ?
C12 C9 H9B 95.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C2 121.8(6) . . ?
C18 C13 C14 120.0 . . ?
C14 C13 C2 118.2(6) . . ?
C13 C18 H18 120.0 . . ?
C13 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 C19 125.4(9) . . ?
C15 C16 C19 114.6(9) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
N19 C19 C16 127.9(17) . . ?
N19 C19 H19 116.1 . . ?
C16 C19 H19 116.1 . . ?
N19 C20 H20A 109.0 . . ?
N19 C20 H20B 109.0 . . ?
N19 C20 C21 112.7(9) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
N20 C21 C20 112.5(8) . . ?
N20 C21 H21A 109.1 . . ?
N20 C21 H21B 109.1 . . ?
C20 C21 H21A 109.1 . . ?
C20 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
N20 C22 H22A 109.2 . . ?
N20 C22 H22B 109.2 . . ?
N20 C22 C23 111.9(8) . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
N21 C23 C22 112.1(8) . . ?
N21 C23 H23A 109.2 . . ?
N21 C23 H23B 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
N21 C24 H24 119.0 . . ?
N21 C24 C25 122.0(9) . . ?
C25 C24 H24 119.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 C31 120.1(5) . . ?
C29 C28 C31 119.8(5) . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C25 C24 121.3(5) . . ?
C26 C25 C30 120.0 . . ?
C30 C25 C24 118.7(5) . . ?
C25 C30 H30 120.0 . . ?
C25 C30 C29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C32 C31 C28 124.2(7) . . ?
C33 C31 C28 130.9(7) . . ?
C33 C31 C32 104.9(7) . . ?
N8 C32 C31 109.7(7) . . ?
N8 C32 C38 124.0(7) . . ?
C31 C32 C38 126.2(7) . . ?
N7 C33 C31 109.8(7) . . ?
N7 C33 C34 118.3(7) . . ?
C31 C33 C34 131.6(7) . . ?
C33 C34 H34 107.6 . . ?
C33 C34 C35 110.4(8) . . ?
C35 C34 H34 107.6 . . ?
C36 C34 C33 111.2(9) . . ?
C36 C34 H34 107.6 . . ?
C36 C34 C35 112.3(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
C32 C38 C37 112.6(7) . . ?
C32 C38 H38 107.6 . . ?
C32 C38 C39 110.0(8) . . ?
C37 C38 H38 107.6 . . ?
C37 C38 C39 111.3(8) . . ?
C39 C38 H38 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N20 C40 H40A 108.8 . . ?
N20 C40 H40B 108.8 . . ?
N20 C40 C41 113.6(9) . . ?
H40A C40 H40B 107.7 . . ?
C41 C40 H40A 108.8 . . ?
C41 C40 H40B 108.8 . . ?
N22 C41 C40 110.9(9) . . ?
N22 C41 H41A 109.5 . . ?
N22 C41 H41B 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 108.0 . . ?
N22 C42 H42 117.9 . . ?
N22 C42 C43 124.2(10) . . ?
C43 C42 H42 117.9 . . ?
C300 C46 C45 120.0 . . ?
C300 C46 C49 119.4(5) . . ?
C45 C46 C49 120.6(5) . . ?
C46 C300 H300 120.0 . . ?
C48 C300 C46 120.0 . . ?
C48 C300 H300 120.0 . . ?
C300 C48 H48 120.0 . . ?
C300 C48 C43 120.0 . . ?
C43 C48 H48 120.0 . . ?
C48 C43 C42 121.0(6) . . ?
C44 C43 C42 119.0(6) . . ?
C44 C43 C48 120.0 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C44 C45 H45 120.0 . . ?
C50 C49 C46 127.3(9) . . ?
C50 C49 C51 105.9(8) . . ?
C51 C49 C46 126.8(8) . . ?
N14 C50 C49 107.6(9) . . ?
N14 C50 C52 121.4(8) . . ?
C49 C50 C52 131.0(8) . . ?
N13 C51 C49 108.6(8) . . ?
N13 C51 C55 119.2(9) . . ?
C49 C51 C55 132.1(8) . . ?
C50 C52 H52 105.5 . . ?
C53 C52 C50 112.1(10) . . ?
C53 C52 H52 105.5 . . ?
C53 C52 C54 115.2(12) . . ?
C54 C52 C50 112.0(11) . . ?
C54 C52 H52 105.5 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C51 C55 H55 107.2 . . ?
C51 C55 C56 113.1(9) . . ?
C51 C55 C57 110.1(11) . . ?
C56 C55 H55 107.2 . . ?
C56 C55 C57 111.8(10) . . ?
C57 C55 H55 107.2 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N3 C58 C59 108.7(8) . . ?
N3 C58 C61 122.4(8) . . ?
C59 C58 C61 128.8(9) . . ?
C58 C59 C60 106.7(8) . . ?
C58 C59 C67 126.1(9) . . ?
C60 C59 C67 127.1(8) . . ?
N4 C60 C59 107.9(8) . . ?
N4 C60 C64 122.3(9) . . ?
C59 C60 C64 129.7(9) . . ?
C58 C61 H61 106.3 . . ?
C62 C61 C58 111.9(9) . . ?
C62 C61 H61 106.3 . . ?
C63 C61 C58 112.4(10) . . ?
C63 C61 H61 106.3 . . ?
C63 C61 C62 113.1(10) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64 103.5 . . ?
C60 C64 C65 111.4(8) . . ?
C65 C64 H64 103.5 . . ?
C66 C64 C60 116.2(10) . . ?
C66 C64 H64 103.5 . . ?
C66 C64 C65 116.6(10) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 C59 120.2(9) . . ?
C68 C67 C72 116.9(9) . . ?
C72 C67 C59 122.6(9) . . ?
C67 C68 H68 118.6 . . ?
C67 C68 C69 122.8(10) . . ?
C69 C68 H68 118.6 . . ?
C68 C69 H69 119.7 . . ?
C70 C69 C68 120.7(9) . . ?
C70 C69 H69 119.7 . . ?
C69 C70 C71 116.8(9) . . ?
C69 C70 C73 121.8(9) . . ?
C71 C70 C73 121.4(9) . . ?
C70 C71 H71 119.0 . . ?
C72 C71 C70 122.0(10) . . ?
C72 C71 H71 119.0 . . ?
C67 C72 H72 119.8 . . ?
C71 C72 C67 120.4(10) . . ?
C71 C72 H72 119.8 . . ?
N23 C73 C70 123.0(9) . . ?
N23 C73 H73 118.5 . . ?
C70 C73 H73 118.5 . . ?
N23 C74 H74A 109.8 . . ?
N23 C74 H74B 109.8 . . ?
N23 C74 C75 109.3(9) . . ?
H74A C74 H74B 108.3 . . ?
C75 C74 H74A 109.8 . . ?
C75 C74 H74B 109.8 . . ?
N24 C75 C74 113.7(9) . . ?
N24 C75 H75A 108.8 . . ?
N24 C75 H75B 108.8 . . ?
C74 C75 H75A 108.8 . . ?
C74 C75 H75B 108.8 . . ?
H75A C75 H75B 107.7 . . ?
N24 C76 H76A 109.2 . . ?
N24 C76 H76B 109.2 . . ?
N24 C76 C77 112.1(9) . . ?
H76A C76 H76B 107.9 . . ?
C77 C76 H76A 109.2 . . ?
C77 C76 H76B 109.2 . . ?
N26 C77 C76 110.0(10) . . ?
N26 C77 H77A 109.7 . . ?
N26 C77 H77B 109.7 . . ?
C76 C77 H77A 109.7 . . ?
C76 C77 H77B 109.7 . . ?
H77A C77 H77B 108.2 . . ?
N26 C78 H78 119.1 . . ?
N26 C78 C79 121.9(10) . . ?
C79 C78 H78 119.1 . . ?
C80 C79 C78 120.4(9) . . ?
C80 C79 C84 119.2(10) . . ?
C84 C79 C78 120.3(10) . . ?
C79 C80 H80 119.6 . . ?
C79 C80 C81 120.8(9) . . ?
C81 C80 H80 119.6 . . ?
C80 C81 H81 119.6 . . ?
C82 C81 C80 120.8(10) . . ?
C82 C81 H81 119.6 . . ?
C81 C82 C83 117.1(10) . . ?
C81 C82 C85 122.0(10) . . ?
C83 C82 C85 120.8(9) . . ?
C82 C83 H83 118.9 . . ?
C84 C83 C82 122.2(9) . . ?
C84 C83 H83 118.9 . . ?
C79 C84 H84 120.1 . . ?
C83 C84 C79 119.7(11) . . ?
C83 C84 H84 120.1 . . ?
C86 C85 C82 126.9(9) . . ?
C86 C85 C87 105.3(10) . . ?
C87 C85 C82 127.8(9) . . ?
N39 C86 C85 109.8(9) . . ?
N39 C86 C88 118.8(9) . . ?
N39 C86 Au17 29.9(5) . . ?
C85 C86 C88 131.4(10) . . ?
C85 C86 Au17 138.5(7) . . ?
C88 C86 Au17 89.5(7) . . ?
N36 C87 C85 108.8(9) . . ?
N36 C87 C91 120.3(9) . . ?
N36 C87 Au16 31.8(5) . . ?
C85 C87 C91 130.9(11) . . ?
C85 C87 Au16 140.3(8) . . ?
C91 C87 Au16 88.6(7) . . ?
C86 C88 H88 106.6 . . ?
C86 C88 C90 110.5(8) . . ?
C89 C88 C86 113.7(9) . . ?
C89 C88 H88 106.6 . . ?
C89 C88 C90 112.3(9) . . ?
C90 C88 H88 106.6 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C87 C91 H91 106.9 . . ?
C92 C91 C87 111.7(11) . . ?
C92 C91 H91 106.9 . . ?
C92 C91 C93 111.6(12) . . ?
C93 C91 C87 112.5(9) . . ?
C93 C91 H91 106.9 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N24 C94 H94A 109.0 . . ?
N24 C94 H94B 109.0 . . ?
N24 C94 C95 113.1(9) . . ?
H94A C94 H94B 107.8 . . ?
C95 C94 H94A 109.0 . . ?
C95 C94 H94B 109.0 . . ?
N25 C95 C94 108.0(10) . . ?
N25 C95 H95A 110.1 . . ?
N25 C95 H95B 110.1 . . ?
C94 C95 H95A 110.1 . . ?
C94 C95 H95B 110.1 . . ?
H95A C95 H95B 108.4 . . ?
N25 C96 H96 119.4 . . ?
N25 C96 C97 121.1(10) . . ?
C97 C96 H96 119.4 . . ?
C98 C97 C96 118.6(9) . . ?
C102 C97 C96 123.5(9) . . ?
C102 C97 C98 117.9(9) . . ?
C97 C98 H98 119.7 . . ?
C99 C98 C97 120.7(9) . . ?
C99 C98 H98 119.7 . . ?
C98 C99 H99 119.6 . . ?
C98 C99 C100 120.7(9) . . ?
C100 C99 H99 119.6 . . ?
C99 C100 C103 118.5(8) . . ?
C101 C100 C99 117.9(9) . . ?
C101 C100 C103 123.5(8) . . ?
C100 C101 H101 119.4 . . ?
C100 C101 C102 121.3(10) . . ?
C102 C101 H101 119.4 . . ?
C97 C102 C101 121.5(9) . . ?
C97 C102 H102 119.3 . . ?
C101 C102 H102 119.3 . . ?
C104 C103 C100 126.8(8) . . ?
C105 C103 C100 127.0(8) . . ?
C105 C103 C104 106.0(8) . . ?
N15 C104 C103 107.6(8) . . ?
N15 C104 C106 123.3(8) . . ?
C103 C104 C106 129.1(8) . . ?
N16 C105 C103 109.0(7) . . ?
N16 C105 C109 124.4(8) . . ?
C103 C105 C109 126.5(8) . . ?
C104 C106 H106 105.5 . . ?
C104 C106 C107 113.2(8) . . ?
C104 C106 C108 113.4(8) . . ?
C107 C106 H106 105.5 . . ?
C108 C106 H106 105.5 . . ?
C108 C106 C107 112.8(8) . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C106 C108 H10G 109.5 . . ?
C106 C108 H10H 109.5 . . ?
C106 C108 H10I 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C105 C109 H109 107.1 . . ?
C105 C109 C110 111.6(7) . . ?
C105 C109 C111 112.3(7) . . ?
C110 C109 H109 107.1 . . ?
C111 C109 H109 107.1 . . ?
C111 C109 C110 111.3(8) . . ?
C109 C110 H11D 109.5 . . ?
C109 C110 H11E 109.5 . . ?
C109 C110 H11F 109.5 . . ?
H11D C110 H11E 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C109 C111 H11G 109.5 . . ?
C109 C111 H11H 109.5 . . ?
C109 C111 H11I 109.5 . . ?
H11G C111 H11H 109.5 . . ?
H11G C111 H11I 109.5 . . ?
H11H C111 H11I 109.5 . . ?
N5 C112 C113 107.3(8) . . ?
N5 C112 C115 121.9(8) . . ?
C113 C112 C115 130.7(9) . . ?
C112 C113 C121 125.6(9) . . ?
C114 C113 C112 107.0(9) . . ?
C114 C113 C121 127.1(9) . . ?
N6 C114 C113 107.8(8) . . ?
N6 C114 C118 123.3(9) . . ?
C113 C114 C118 128.8(10) . . ?
C112 C115 H115 105.2 . . ?
C112 C115 C116 113.5(9) . . ?
C112 C115 C117 114.1(8) . . ?
C116 C115 H115 105.2 . . ?
C117 C115 H115 105.2 . . ?
C117 C115 C116 112.6(9) . . ?
C115 C116 H11J 109.5 . . ?
C115 C116 H11K 109.5 . . ?
C115 C116 H11L 109.5 . . ?
H11J C116 H11K 109.5 . . ?
H11J C116 H11L 109.5 . . ?
H11K C116 H11L 109.5 . . ?
C115 C117 H11M 109.5 . . ?
C115 C117 H11N 109.5 . . ?
C115 C117 H11O 109.5 . . ?
H11M C117 H11N 109.5 . . ?
H11M C117 H11O 109.5 . . ?
H11N C117 H11O 109.5 . . ?
C114 C118 H118 99.5 . . ?
C119 C118 C114 116.4(10) . . ?
C119 C118 H118 99.5 . . ?
C119 C118 C120 120.7(10) . . ?
C120 C118 C114 115.0(9) . . ?
C120 C118 H118 99.5 . . ?
C118 C119 H11P 109.5 . . ?
C118 C119 H11Q 109.5 . . ?
C118 C119 H11R 109.5 . . ?
H11P C119 H11Q 109.5 . . ?
H11P C119 H11R 109.5 . . ?
H11Q C119 H11R 109.5 . . ?
C118 C120 H12D 109.5 . . ?
C118 C120 H12E 109.5 . . ?
C118 C120 H12F 109.5 . . ?
H12D C120 H12E 109.5 . . ?
H12D C120 H12F 109.5 . . ?
H12E C120 H12F 109.5 . . ?
C126 C121 C113 122.7(6) . . ?
C126 C121 C122 120.0 . . ?
C122 C121 C113 117.3(6) . . ?
C121 C126 H126 120.0 . . ?
C121 C126 C125 120.0 . . ?
C125 C126 H126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C124 C125 H125 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 C127 121.7(7) . . ?
C123 C124 C127 118.2(7) . . ?
C124 C123 H123 120.0 . . ?
C122 C123 C124 120.0 . . ?
C122 C123 H123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
N27 C127 C124 121.0(11) . . ?
N27 C127 H127 119.5 . . ?
C124 C127 H127 119.5 . . ?
N27 C128 H12G 109.6 . . ?
N27 C128 H12H 109.6 . . ?
H12G C128 H12H 108.1 . . ?
C129 C128 N27 110.1(9) . . ?
C129 C128 H12G 109.6 . . ?
C129 C128 H12H 109.6 . . ?
N28 C129 C128 113.9(9) . . ?
N28 C129 H12I 108.8 . . ?
N28 C129 H12J 108.8 . . ?
C128 C129 H12I 108.8 . . ?
C128 C129 H12J 108.8 . . ?
H12I C129 H12J 107.7 . . ?
N28 C130 H13A 108.9 . . ?
N28 C130 H13B 108.9 . . ?
N28 C130 C131 113.5(8) . . ?
H13A C130 H13B 107.7 . . ?
C131 C130 H13A 108.9 . . ?
C131 C130 H13B 108.9 . . ?
N30 C131 C130 110.5(8) . . ?
N30 C131 H13C 109.6 . . ?
N30 C131 H13D 109.6 . . ?
C130 C131 H13C 109.6 . . ?
C130 C131 H13D 109.6 . . ?
H13C C131 H13D 108.1 . . ?
N30 C132 H132 119.4 . . ?
N30 C132 C133 121.1(9) . . ?
C133 C132 H132 119.4 . . ?
C134 C133 C132 122.7(9) . . ?
C138 C133 C132 118.5(9) . . ?
C138 C133 C134 118.8(8) . . ?
C133 C134 H134 119.1 . . ?
C135 C134 C133 121.8(9) . . ?
C135 C134 H134 119.1 . . ?
C134 C135 H135 119.6 . . ?
C134 C135 C136 120.9(8) . . ?
C136 C135 H135 119.6 . . ?
C135 C136 C139 122.1(7) . . ?
C137 C136 C135 117.1(8) . . ?
C137 C136 C139 120.7(8) . . ?
C136 C137 H137 119.7 . . ?
C138 C137 C136 120.6(9) . . ?
C138 C137 H137 119.7 . . ?
C133 C138 C137 120.8(9) . . ?
C133 C138 H138 119.6 . . ?
C137 C138 H138 119.6 . . ?
C140 C139 C136 127.8(7) . . ?
C141 C139 C136 125.8(7) . . ?
C141 C139 C140 106.4(7) . . ?
N11 C140 C139 108.2(6) . . ?
N11 C140 C142 117.2(7) . . ?
C139 C140 C142 134.6(7) . . ?
N12 C141 C139 108.9(6) . . ?
N12 C141 C145 122.3(7) . . ?
C139 C141 C145 128.8(7) . . ?
C140 C142 H142 107.4 . . ?
C140 C142 C143 110.5(7) . . ?
C140 C142 C144 112.2(7) . . ?
C143 C142 H142 107.4 . . ?
C144 C142 H142 107.4 . . ?
C144 C142 C143 111.5(7) . . ?
C142 C143 H14A 109.5 . . ?
C142 C143 H14B 109.5 . . ?
C142 C143 H14C 109.5 . . ?
H14A C143 H14B 109.5 . . ?
H14A C143 H14C 109.5 . . ?
H14B C143 H14C 109.5 . . ?
C142 C144 H14D 109.5 . . ?
C142 C144 H14E 109.5 . . ?
C142 C144 H14F 109.5 . . ?
H14D C144 H14E 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
C141 C145 H145 107.6 . . ?
C141 C145 C146 111.0(7) . . ?
C141 C145 C147 111.4(7) . . ?
C146 C145 H145 107.6 . . ?
C146 C145 C147 111.5(7) . . ?
C147 C145 H145 107.6 . . ?
C145 C146 H14G 109.5 . . ?
C145 C146 H14H 109.5 . . ?
C145 C146 H14I 109.5 . . ?
H14G C146 H14H 109.5 . . ?
H14G C146 H14I 109.5 . . ?
H14H C146 H14I 109.5 . . ?
C145 C147 H14J 109.5 . . ?
C145 C147 H14K 109.5 . . ?
C145 C147 H14L 109.5 . . ?
H14J C147 H14K 109.5 . . ?
H14J C147 H14L 109.5 . . ?
H14K C147 H14L 109.5 . . ?
N28 C148 H14M 108.7 . . ?
N28 C148 H14N 108.7 . . ?
N28 C148 C149 114.2(9) . . ?
H14M C148 H14N 107.6 . . ?
C149 C148 H14M 108.7 . . ?
C149 C148 H14N 108.7 . . ?
N29 C149 C148 111.4(8) . . ?
N29 C149 H14O 109.4 . . ?
N29 C149 H14P 109.4 . . ?
C148 C149 H14O 109.4 . . ?
C148 C149 H14P 109.4 . . ?
H14O C149 H14P 108.0 . . ?
N29 C150 H150 118.9 . . ?
N29 C150 C151 122.2(9) . . ?
C151 C150 H150 118.9 . . ?
C152 C151 C150 120.0(9) . . ?
C156 C151 C150 120.6(9) . . ?
C156 C151 C152 119.5(9) . . ?
C151 C152 H152 119.8 . . ?
C153 C152 C151 120.3(10) . . ?
C153 C152 H152 119.8 . . ?
C152 C153 H153 119.8 . . ?
C152 C153 C154 120.4(9) . . ?
C154 C153 H153 119.8 . . ?
C153 C154 C157 120.3(8) . . ?
C155 C154 C153 117.1(9) . . ?
C155 C154 C157 122.3(9) . . ?
C154 C155 H155 119.6 . . ?
C154 C155 C156 120.9(9) . . ?
C156 C155 H155 119.6 . . ?
C151 C156 C155 121.6(9) . . ?
C151 C156 H156 119.2 . . ?
C155 C156 H156 119.2 . . ?
C154 C157 C158 125.7(9) . . ?
C159 C157 C154 129.6(10) . . ?
C159 C157 C158 104.5(8) . . ?
N38 C158 C157 108.6(9) . . ?
N38 C158 C160 121.8(10) . . ?
C157 C158 C160 129.6(9) . . ?
N37 C159 C157 109.1(9) . . ?
N37 C159 C163 123.1(9) . . ?
C157 C159 C163 127.7(9) . . ?
C158 C160 H160 104.9 . . ?
C158 C160 C161 113.6(9) . . ?
C158 C160 C162 113.6(9) . . ?
C161 C160 H160 104.9 . . ?
C162 C160 H160 104.9 . . ?
C162 C160 C161 113.7(10) . . ?
C160 C161 H16A 109.5 . . ?
C160 C161 H16B 109.5 . . ?
C160 C161 H16C 109.5 . . ?
H16A C161 H16B 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C160 C162 H16D 109.5 . . ?
C160 C162 H16E 109.5 . . ?
C160 C162 H16F 109.5 . . ?
H16D C162 H16E 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
C159 C163 H163 106.8 . . ?
C159 C163 C164 111.0(9) . . ?
C159 C163 C165 113.4(10) . . ?
C164 C163 H163 106.8 . . ?
C165 C163 H163 106.8 . . ?
C165 C163 C164 111.7(9) . . ?
C163 C164 H16G 109.5 . . ?
C163 C164 H16H 109.5 . . ?
C163 C164 H16I 109.5 . . ?
H16G C164 H16H 109.5 . . ?
H16G C164 H16I 109.5 . . ?
H16H C164 H16I 109.5 . . ?
C163 C165 H16J 109.5 . . ?
C163 C165 H16K 109.5 . . ?
C163 C165 H16L 109.5 . . ?
H16J C165 H16K 109.5 . . ?
H16J C165 H16L 109.5 . . ?
H16K C165 H16L 109.5 . . ?
N10 C166 C167 108.9(8) . . ?
N10 C166 C169 123.2(8) . . ?
C167 C166 C169 127.9(7) . . ?
C166 C167 C175 124.4(8) . . ?
C168 C167 C166 105.6(7) . . ?
C168 C167 C175 129.9(8) . . ?
N9 C168 C167 109.0(8) . . ?
N9 C168 C172 118.5(7) . . ?
C167 C168 C172 132.5(7) . . ?
C166 C169 H169 107.3 . . ?
C166 C169 C170 111.9(8) . . ?
C170 C169 H169 107.3 . . ?
C171 C169 C166 112.8(10) . . ?
C171 C169 H169 107.3 . . ?
C171 C169 C170 109.8(10) . . ?
C169 C170 H17A 109.5 . . ?
C169 C170 H17B 109.5 . . ?
C169 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C169 C171 H17D 109.5 . . ?
C169 C171 H17E 109.5 . . ?
C169 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C168 C172 H172 106.1 . . ?
C168 C172 C173 114.1(8) . . ?
C168 C172 C174 111.7(7) . . ?
C173 C172 H172 106.1 . . ?
C173 C172 C174 112.0(8) . . ?
C174 C172 H172 106.1 . . ?
C172 C173 H17G 109.5 . . ?
C172 C173 H17H 109.5 . . ?
C172 C173 H17I 109.5 . . ?
H17G C173 H17H 109.5 . . ?
H17G C173 H17I 109.5 . . ?
H17H C173 H17I 109.5 . . ?
C172 C174 H17J 109.5 . . ?
C172 C174 H17K 109.5 . . ?
C172 C174 H17L 109.5 . . ?
H17J C174 H17K 109.5 . . ?
H17J C174 H17L 109.5 . . ?
H17K C174 H17L 109.5 . . ?
C180 C175 C167 120.4(5) . . ?
C180 C175 C176 120.0 . . ?
C176 C175 C167 119.4(5) . . ?
C175 C180 H180 120.0 . . ?
C175 C180 C179 120.0 . . ?
C179 C180 H180 120.0 . . ?
C180 C179 H179 120.0 . . ?
C178 C179 C180 120.0 . . ?
C178 C179 H179 120.0 . . ?
C179 C178 C177 120.0 . . ?
C179 C178 C181 119.3(6) . . ?
C177 C178 C181 120.6(6) . . ?
C178 C177 H177 120.0 . . ?
C176 C177 C178 120.0 . . ?
C176 C177 H177 120.0 . . ?
C175 C176 H176 120.0 . . ?
C177 C176 C175 120.0 . . ?
C177 C176 H176 120.0 . . ?
N31 C181 C178 123.5(9) . . ?
N31 C181 H181 118.2 . . ?
C178 C181 H181 118.2 . . ?
N31 C182 H18A 109.5 . . ?
N31 C182 H18B 109.5 . . ?
N31 C182 C183 110.6(9) . . ?
H18A C182 H18B 108.1 . . ?
C183 C182 H18A 109.5 . . ?
C183 C182 H18B 109.5 . . ?
N32 C183 C182 110.2(9) . . ?
N32 C183 H18C 109.6 . . ?
N32 C183 H18D 109.6 . . ?
C182 C183 H18C 109.6 . . ?
C182 C183 H18D 109.6 . . ?
H18C C183 H18D 108.1 . . ?
N32 C184 H18E 108.8 . . ?
N32 C184 H18F 108.8 . . ?
N32 C184 C185 113.9(8) . . ?
H18E C184 H18F 107.7 . . ?
C185 C184 H18E 108.8 . . ?
C185 C184 H18F 108.8 . . ?
N33 C185 C184 114.1(9) . . ?
N33 C185 H18G 108.7 . . ?
N33 C185 H18H 108.7 . . ?
C184 C185 H18G 108.7 . . ?
C184 C185 H18H 108.7 . . ?
H18G C185 H18H 107.6 . . ?
N33 C186 H186 119.1 . . ?
N33 C186 C187 121.7(13) . . ?
C187 C186 H186 119.1 . . ?
C191 C190 C189 120.0 . . ?
C191 C190 C193 119.1(6) . . ?
C189 C190 C193 120.9(6) . . ?
C190 C191 H191 120.0 . . ?
C190 C191 C192 120.0 . . ?
C192 C191 H191 120.0 . . ?
C191 C192 H192 120.0 . . ?
C187 C192 C191 120.0 . . ?
C187 C192 H192 120.0 . . ?
C192 C187 C186 113.7(8) . . ?
C192 C187 C188 120.0 . . ?
C188 C187 C186 126.3(8) . . ?
C187 C188 H188 120.0 . . ?
C189 C188 C187 120.0 . . ?
C189 C188 H188 120.0 . . ?
C190 C189 H189 120.0 . . ?
C188 C189 C190 120.0 . . ?
C188 C189 H189 120.0 . . ?
C194 C193 C190 129.7(8) . . ?
C194 C193 C195 105.6(8) . . ?
C195 C193 C190 124.5(8) . . ?
N17 C194 C193 107.5(8) . . ?
N17 C194 C196 122.3(8) . . ?
C193 C194 C196 130.2(9) . . ?
N18 C195 C193 109.5(8) . . ?
N18 C195 C199 123.5(8) . . ?
C193 C195 C199 127.0(9) . . ?
C194 C196 H196 107.3 . . ?
C194 C196 C198 111.2(9) . . ?
C197 C196 C194 112.1(10) . . ?
C197 C196 H196 107.3 . . ?
C197 C196 C198 111.3(10) . . ?
C198 C196 H196 107.3 . . ?
C196 C197 H19A 109.5 . . ?
C196 C197 H19B 109.5 . . ?
C196 C197 H19C 109.5 . . ?
H19A C197 H19B 109.5 . . ?
H19A C197 H19C 109.5 . . ?
H19B C197 H19C 109.5 . . ?
C196 C198 H19D 109.5 . . ?
C196 C198 H19E 109.5 . . ?
C196 C198 H19F 109.5 . . ?
H19D C198 H19E 109.5 . . ?
H19D C198 H19F 109.5 . . ?
H19E C198 H19F 109.5 . . ?
C195 C199 H199 106.5 . . ?
C195 C199 C200 112.9(9) . . ?
C195 C199 C201 112.3(9) . . ?
C200 C199 H199 106.5 . . ?
C201 C199 H199 106.5 . . ?
C201 C199 C200 111.6(10) . . ?
C199 C200 H20C 109.5 . . ?
C199 C200 H20D 109.5 . . ?
C199 C200 H20E 109.5 . . ?
H20C C200 H20D 109.5 . . ?
H20C C200 H20E 109.5 . . ?
H20D C200 H20E 109.5 . . ?
C199 C201 H20F 109.5 . . ?
C199 C201 H20G 109.5 . . ?
C199 C201 H20H 109.5 . . ?
H20F C201 H20G 109.5 . . ?
H20F C201 H20H 109.5 . . ?
H20G C201 H20H 109.5 . . ?
N32 C202 H20I 109.0 . . ?
N32 C202 H20J 109.0 . . ?
N32 C202 C203 113.1(9) . . ?
H20I C202 H20J 107.8 . . ?
C203 C202 H20I 109.0 . . ?
C203 C202 H20J 109.0 . . ?
N34 C203 C202 110.3(9) . . ?
N34 C203 H20K 109.6 . . ?
N34 C203 H20L 109.6 . . ?
C202 C203 H20K 109.6 . . ?
C202 C203 H20L 109.6 . . ?
H20K C203 H20L 108.1 . . ?
N34 C204 H204 120.3 . . ?
N34 C204 C205 119.3(12) . . ?
C205 C204 H204 120.3 . . ?
C209 C208 C207 120.0 . . ?
C209 C208 C211 120.5(6) . . ?
C207 C208 C211 119.5(6) . . ?
C208 C209 H209 120.0 . . ?
C208 C209 C210 120.0 . . ?
C210 C209 H209 120.0 . . ?
C209 C210 H210 120.0 . . ?
C209 C210 C205 120.0 . . ?
C205 C210 H210 120.0 . . ?
C210 C205 C204 123.2(7) . . ?
C206 C205 C204 116.8(7) . . ?
C206 C205 C210 120.0 . . ?
C205 C206 H206 120.0 . . ?
C205 C206 C207 120.0 . . ?
C207 C206 H206 120.0 . . ?
C208 C207 H207 120.0 . . ?
C206 C207 C208 120.0 . . ?
C206 C207 H207 120.0 . . ?
C212 C211 C208 127.6(10) . . ?
C213 C211 C208 125.3(9) . . ?
C213 C211 C212 106.8(9) . . ?
N35 C212 C211 106.3(10) . . ?
N35 C212 C214 120.8(9) . . ?
C211 C212 C214 132.9(10) . . ?
N40 C213 C217 120.7(10) . . ?
C211 C213 N40 109.5(10) . . ?
C211 C213 C217 129.7(9) . . ?
C212 C214 H214 107.5 . . ?
C212 C214 C215 112.3(11) . . ?
C212 C214 C216 110.5(12) . . ?
C215 C214 H214 107.5 . . ?
C216 C214 H214 107.5 . . ?
C216 C214 C215 111.3(13) . . ?
C214 C215 H21C 109.5 . . ?
C214 C215 H21D 109.5 . . ?
C214 C215 H21E 109.5 . . ?
H21C C215 H21D 109.5 . . ?
H21C C215 H21E 109.5 . . ?
H21D C215 H21E 109.5 . . ?
C214 C216 H21F 109.5 . . ?
C214 C216 H21G 109.5 . . ?
C214 C216 H21H 109.5 . . ?
H21F C216 H21G 109.5 . . ?
H21F C216 H21H 109.5 . . ?
H21G C216 H21H 109.5 . . ?
C213 C217 H217 106.1 . . ?
C218 C217 C213 113.8(11) . . ?
C218 C217 H217 106.1 . . ?
C218 C217 C219 111.1(11) . . ?
C219 C217 C213 112.9(11) . . ?
C219 C217 H217 106.1 . . ?
C217 C218 H21I 109.5 . . ?
C217 C218 H21J 109.5 . . ?
C217 C218 H21K 109.5 . . ?
H21I C218 H21J 109.5 . . ?
H21I C218 H21K 109.5 . . ?
H21J C218 H21K 109.5 . . ?
C217 C219 H21L 109.5 . . ?
C217 C219 H21M 109.5 . . ?
C217 C219 H21N 109.5 . . ?
H21L C219 H21M 109.5 . . ?
H21L C219 H21N 109.5 . . ?
H21M C219 H21N 109.5 . . ?
Cl1 C361 Cl4 109.8(7) . . ?
Cl1 C361 Cl6 108.0(7) . . ?
Cl1 C361 D361 108.9 . . ?
Cl4 C361 Cl6 112.2(7) . . ?
Cl4 C361 D361 108.9 . . ?
Cl6 C361 D361 108.9 . . ?
Cl5 C362 D362 107.1 . . ?
Cl8 C362 Cl5 110.3(10) . . ?
Cl8 C362 D362 107.1 . . ?
Cl9 C362 Cl5 110.5(9) . . ?
Cl9 C362 Cl8 114.5(10) . . ?
Cl9 C362 D362 107.1 . . ?
C303 C301 C311 104.7(12) . . ?
C312 C301 C303 125.7(14) . . ?
C312 C301 C311 117.8(14) . . ?
C303 C302 C304 130.5(13) . . ?
C303 C302 C305 111.0(13) . . ?
C305 C302 C304 104.5(11) . . ?
C302 C303 C301 125.4(14) . . ?
C302 C303 C306 114.3(13) . . ?
C306 C303 C301 109.5(12) . . ?
C302 C304 C307 108.9(11) . . ?
C308 C304 C302 112.6(12) . . ?
C308 C304 C307 126.9(13) . . ?
C302 C305 C310 112.7(11) . . ?
C309 C305 C302 120.8(13) . . ?
C309 C305 C310 116.0(12) . . ?
C303 C306 C314 116.7(13) . . ?
C313 C306 C303 108.9(12) . . ?
C313 C306 C314 122.5(13) . . ?
C310 C307 C304 109.7(11) . . ?
C315 C307 C304 119.9(12) . . ?
C315 C307 C310 119.4(12) . . ?
C304 C308 C314 118.7(13) . . ?
C304 C308 C316 108.8(12) . . ?
C314 C308 C316 117.8(12) . . ?
C305 C309 C312 130.4(14) . . ?
C305 C309 C317 120.9(13) . . ?
C312 C309 C317 96.7(12) . . ?
C307 C310 C305 104.2(11) . . ?
C307 C310 C318 119.8(12) . . ?
C318 C310 C305 121.6(12) . . ?
C313 C311 C301 111.3(13) . . ?
C319 C311 C301 122.7(14) . . ?
C319 C311 C313 116.1(14) . . ?
C301 C312 C320 122.1(14) . . ?
C309 C312 C301 106.3(13) . . ?
C309 C312 C320 116.6(13) . . ?
C306 C313 C311 105.5(12) . . ?
C321 C313 C306 114.0(13) . . ?
C321 C313 C311 128.1(13) . . ?
C306 C314 C308 126.3(13) . . ?
C322 C314 C306 122.3(13) . . ?
C322 C314 C308 99.4(11) . . ?
C307 C315 C323 120.2(12) . . ?
C307 C315 C324 117.1(12) . . ?
C323 C315 C324 110.9(11) . . ?
C324 C316 C308 128.9(13) . . ?
C324 C316 C325 122.0(13) . . ?
C325 C316 C308 100.1(11) . . ?
C309 C317 C327 117.5(13) . . ?
C326 C317 C309 124.3(14) . . ?
C326 C317 C327 107.2(14) . . ?
C310 C318 C328 121.5(12) . . ?
C326 C318 C310 123.0(13) . . ?
C326 C318 C328 105.3(11) . . ?
C311 C319 C329 115.5(14) . . ?
C311 C319 C330 116.6(14) . . ?
C330 C319 C329 114.9(13) . . ?
C327 C320 C312 104.9(12) . . ?
C327 C320 C330 127.4(14) . . ?
C330 C320 C312 116.8(14) . . ?
C313 C321 C331 116.0(12) . . ?
C313 C321 C332 124.3(13) . . ?
C332 C321 C331 105.7(11) . . ?
C314 C322 C325 111.7(12) . . ?
C332 C322 C314 116.2(13) . . ?
C332 C322 C325 118.3(13) . . ?
C315 C323 C328 121.6(12) . . ?
C315 C323 C333 102.6(11) . . ?
C328 C323 C333 123.4(13) . . ?
C316 C324 C315 118.2(12) . . ?
C316 C324 C334 117.8(12) . . ?
C334 C324 C315 109.0(11) . . ?
C316 C325 C322 110.1(12) . . ?
C335 C325 C316 122.4(13) . . ?
C335 C325 C322 116.9(13) . . ?
C317 C326 C318 114.0(13) . . ?
C317 C326 C336 120.3(14) . . ?
C318 C326 C336 112.2(12) . . ?
C320 C327 C317 103.8(13) . . ?
C320 C327 C337 108.5(14) . . ?
C337 C327 C317 136.0(16) . . ?
C318 C328 C338 108.5(11) . . ?
C323 C328 C318 117.4(12) . . ?
C323 C328 C338 121.7(13) . . ?
C331 C329 C319 128.3(13) . . ?
C339 C329 C319 100.4(12) . . ?
C339 C329 C331 119.9(13) . . ?
C320 C330 C319 123.7(15) . . ?
C340 C330 C319 103.6(13) . . ?
C340 C330 C320 118.2(14) . . ?
C329 C331 C321 115.4(12) . . ?
C329 C331 C341 121.2(12) . . ?
C341 C331 C321 112.9(11) . . ?
C321 C332 C342 106.5(11) . . ?
C322 C332 C321 120.4(13) . . ?
C322 C332 C342 121.8(13) . . ?
C334 C333 C323 113.4(11) . . ?
C343 C333 C323 118.4(12) . . ?
C343 C333 C334 117.6(12) . . ?
C324 C334 C333 104.1(11) . . ?
C324 C334 C344 118.3(12) . . ?
C333 C334 C344 124.8(13) . . ?
C325 C335 C344 113.3(12) . . ?
C325 C335 C345 127.3(13) . . ?
C344 C335 C345 107.2(11) . . ?
C326 C336 C338 104.3(12) . . ?
C346 C336 C326 127.5(15) . . ?
C346 C336 C338 116.6(14) . . ?
C346 C337 C327 112.2(15) . . ?
C347 C337 C327 129.2(16) . . ?
C347 C337 C346 104.7(13) . . ?
C336 C338 C328 109.6(12) . . ?
C348 C338 C328 110.0(13) . . ?
C348 C338 C336 127.2(14) . . ?
C329 C339 C340 112.8(12) . . ?
C349 C339 C329 120.0(13) . . ?
C349 C339 C340 115.4(13) . . ?
C330 C340 C339 108.0(12) . . ?
C330 C340 C347 119.6(14) . . ?
C347 C340 C339 120.5(14) . . ?
C331 C341 C342 102.6(10) . . ?
C331 C341 C350 117.9(11) . . ?
C342 C341 C350 125.3(12) . . ?
C341 C342 C332 112.3(11) . . ?
C345 C342 C332 122.6(13) . . ?
C345 C342 C341 113.8(12) . . ?
C333 C343 C348 113.8(12) . . ?
C333 C343 C351 117.7(12) . . ?
C348 C343 C351 115.6(12) . . ?
C334 C344 C335 126.0(13) . . ?
C334 C344 C352 117.2(12) . . ?
C335 C344 C352 103.8(11) . . ?
C335 C345 C353 113.2(11) . . ?
C342 C345 C335 112.7(12) . . ?
C342 C345 C353 121.5(12) . . ?
C336 C346 C337 115.6(15) . . ?
C336 C346 C354 116.4(15) . . ?
C337 C346 C354 115.9(14) . . ?
C337 C347 C340 116.2(15) . . ?
C337 C347 C355 105.3(13) . . ?
C340 C347 C355 126.8(15) . . ?
C343 C348 C338 132.1(13) . . ?
C356 C348 C338 115.0(13) . . ?
C356 C348 C343 100.9(12) . . ?
C339 C349 C350 119.5(12) . . ?
C339 C349 C357 120.6(12) . . ?
C350 C349 C357 106.2(11) . . ?
C349 C350 C341 121.5(11) . . ?
C349 C350 C358 107.8(10) . . ?
C358 C350 C341 119.9(11) . . ?
C352 C351 C343 124.7(12) . . ?
C352 C351 C359 121.5(13) . . ?
C359 C351 C343 102.7(11) . . ?
C351 C352 C344 117.7(12) . . ?
C351 C352 C353 115.6(12) . . ?
C353 C352 C344 115.6(11) . . ?
C352 C353 C345 100.1(10) . . ?
C358 C353 C345 123.8(12) . . ?
C358 C353 C352 121.9(12) . . ?
C346 C354 C355 98.5(12) . . ?
C346 C354 C356 126.5(14) . . ?
C355 C354 C356 123.4(14) . . ?
C354 C355 C347 115.2(13) . . ?
C357 C355 C347 109.5(14) . . ?
C357 C355 C354 121.8(14) . . ?
C348 C356 C354 117.8(13) . . ?
C348 C356 C359 112.1(12) . . ?
C354 C356 C359 118.2(13) . . ?
C349 C357 C360 111.2(11) . . ?
C355 C357 C349 126.8(13) . . ?
C355 C357 C360 111.4(13) . . ?
C350 C358 C360 110.6(10) . . ?
C353 C358 C350 115.1(11) . . ?
C353 C358 C360 123.1(12) . . ?
C351 C359 C356 108.3(12) . . ?
C360 C359 C351 123.8(13) . . ?
C360 C359 C356 114.4(12) . . ?
C358 C360 C357 104.2(11) . . ?
C359 C360 C357 130.2(13) . . ?
C359 C360 C358 113.6(12) . . ?
N16 Au14 Au15 120.6(3) . . ?
N16 Au14 Au13 61.3(2) . . ?
N17 Au14 N16 177.3(4) . . ?
N17 Au14 Au15 62.0(3) . . ?
N17 Au14 Au13 121.3(3) . . ?
Au13 Au14 Au15 59.36(14) . . ?
N13 Au15 N18 172.4(5) . . ?
N13 Au15 Au14 117.9(3) . . ?
N13 Au15 Au13 58.6(3) . . ?
N18 Au15 Au14 57.8(3) . . ?
N18 Au15 Au13 117.7(3) . . ?
Au13 Au15 Au14 59.92(14) . . ?
N14 Au13 N15 176.0(4) . . ?
N14 Au13 Au14 120.8(3) . . ?
N14 Au13 Au15 60.2(3) . . ?
N15 Au13 Au14 61.7(2) . . ?
N15 Au13 Au15 122.4(3) . . ?
Au15 Au13 Au14 60.73(15) . . ?
N38 Au17 C86 164.7(4) . . ?
N38 Au17 Au16 116.5(3) . . ?
N38 Au17 Au18 57.5(3) . . ?
N39 Au17 N38 170.8(5) . . ?
N39 Au17 C86 24.6(4) . . ?
N39 Au17 Au16 54.4(4) . . ?
N39 Au17 Au18 113.4(4) . . ?
C86 Au17 Au16 78.8(3) . . ?
C86 Au17 Au18 137.6(3) . . ?
Au18 Au17 Au16 59.01(16) . . ?
N36 Au16 N40 163.7(6) . . ?
N36 Au16 C87 24.4(4) . . ?
N36 Au16 Au17 51.0(5) . . ?
N36 Au16 Au18 110.1(5) . . ?
N40 Au16 C87 167.7(5) . . ?
N40 Au16 Au17 114.0(3) . . ?
N40 Au16 Au18 54.4(3) . . ?
C87 Au16 Au17 75.4(3) . . ?
C87 Au16 Au18 133.9(3) . . ?
Au18 Au16 Au17 59.68(18) . . ?
N35 Au18 N37 154.2(8) . . ?
N35 Au18 Au17 133.6(5) . . ?
N35 Au18 Au16 72.5(5) . . ?
N37 Au18 Au17 71.6(4) . . ?
N37 Au18 Au16 132.9(4) . . ?
Au16 Au18 Au17 61.32(18) . . ?
N7 Au19 N12 176.2(3) . . ?
N7 Au19 Au20 60.19(19) . . ?
N7 Au19 Au21 120.8(2) . . ?
N12 Au19 Au20 120.56(19) . . ?
N12 Au19 Au21 60.00(18) . . ?
Au21 Au19 Au20 60.60(7) . . ?
N8 Au20 N9 178.8(3) . . ?
N8 Au20 Au19 61.24(19) . . ?
N8 Au20 Au21 120.8(2) . . ?
N9 Au20 Au19 119.5(2) . . ?
N9 Au20 Au21 59.9(2) . . ?
Au19 Au20 Au21 59.63(6) . . ?
N10 Au21 Au19 119.8(2) . . ?
N10 Au21 Au20 60.5(2) . . ?
N11 Au21 N10 178.2(3) . . ?
N11 Au21 Au19 61.11(19) . . ?
N11 Au21 Au20 120.2(2) . . ?
Au19 Au21 Au20 59.76(7) . . ?
N4 Au22 N5 175.9(4) . . ?
N4 Au22 Au23 122.3(3) . . ?
N4 Au22 Au24 61.6(2) . . ?
N5 Au22 Au23 61.6(2) . . ?
N5 Au22 Au24 122.3(3) . . ?
Au23 Au22 Au24 60.72(10) . . ?
N1 Au23 N6 179.3(4) . . ?
N1 Au23 Au22 119.8(3) . . ?
N1 Au23 Au24 60.1(2) . . ?
N6 Au23 Au22 59.6(2) . . ?
N6 Au23 Au24 119.2(3) . . ?
Au22 Au23 Au24 59.68(10) . . ?
N2 Au24 N3 177.4(4) . . ?
N2 Au24 Au22 117.7(3) . . ?
N2 Au24 Au23 58.1(3) . . ?
N3 Au24 Au22 59.8(2) . . ?
N3 Au24 Au23 119.3(3) . . ?
Au22 Au24 Au23 59.60(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 1.3(9) . . . . ?
Au1 N1 N2 C3 176.6(7) . . . . ?
Au1 N1 C1 C2 -177.2(7) . . . . ?
Au1 N1 C1 C4 3.6(15) . . . . ?
Au1 N6 C114 C113 174.2(7) . . . . ?
Au1 N6 C114 C118 -3.1(14) . . . . ?
Au2 N2 C3 C2 175.4(7) . . . . ?
Au2 N2 C3 C9 -9.4(15) . . . . ?
Au2 N3 N4 Au3 -0.2(9) . . . . ?
Au2 N3 N4 C60 173.4(6) . . . . ?
Au2 N3 C58 C59 -170.8(7) . . . . ?
Au2 N3 C58 C61 13.7(15) . . . . ?
Au3 N4 C60 C59 171.1(7) . . . . ?
Au3 N4 C60 C64 -5.6(14) . . . . ?
Au3 N5 N6 Au1 -4.1(8) . . . . ?
Au3 N5 N6 C114 172.9(6) . . . . ?
Au3 N5 C112 C113 -170.3(6) . . . . ?
Au3 N5 C112 C115 8.7(13) . . . . ?
Au4 N7 N8 Au5 0.0(7) . . . . ?
Au4 N7 N8 C32 179.5(5) . . . . ?
Au4 N7 C33 C31 178.7(6) . . . . ?
Au4 N7 C33 C34 -6.6(13) . . . . ?
Au4 N12 C141 C139 -161.8(6) . . . . ?
Au4 N12 C141 C145 16.8(12) . . . . ?
Au5 N8 C32 C31 -178.1(6) . . . . ?
Au5 N8 C32 C38 -0.9(13) . . . . ?
Au5 N9 N10 Au6 -15.0(8) . . . . ?
Au5 N9 N10 C166 176.0(6) . . . . ?
Au5 N9 C168 C167 -174.3(6) . . . . ?
Au5 N9 C168 C172 6.0(12) . . . . ?
Au6 N10 C166 C167 -168.8(6) . . . . ?
Au6 N10 C166 C169 12.8(14) . . . . ?
Au6 N11 N12 Au4 -16.8(7) . . . . ?
Au6 N11 N12 C141 177.9(5) . . . . ?
Au6 N11 C140 C139 -177.9(6) . . . . ?
Au6 N11 C140 C142 1.0(11) . . . . ?
Au7 N13 N14 Au8 -9.7(9) . . . . ?
Au7 N13 N14 C50 178.1(6) . . . . ?
Au7 N13 C51 C49 -177.1(7) . . . . ?
Au7 N13 C51 C55 1.2(14) . . . . ?
Au7 N18 C195 C193 -173.9(6) . . . . ?
Au7 N18 C195 C199 7.4(14) . . . . ?
Au8 N14 C50 C49 -172.0(6) . . . . ?
Au8 N14 C50 C52 7.6(14) . . . . ?
Au8 N15 N16 Au9 8.8(8) . . . . ?
Au8 N15 N16 C105 -171.0(5) . . . . ?
Au8 N15 C104 C103 169.8(6) . . . . ?
Au8 N15 C104 C106 -10.0(12) . . . . ?
Au9 N16 C105 C103 179.6(6) . . . . ?
Au9 N16 C105 C109 2.5(12) . . . . ?
Au9 N17 N18 Au7 0.2(9) . . . . ?
Au9 N17 N18 C195 -174.6(6) . . . . ?
Au9 N17 C194 C193 173.9(7) . . . . ?
Au9 N17 C194 C196 -8.1(14) . . . . ?
Au10 N35 N40 Au11 0.4(11) . . . . ?
Au10 N35 N40 C213 -175.7(7) . . . . ?
Au10 N35 C212 C211 174.3(7) . . . . ?
Au10 N35 C212 C214 -7.1(16) . . . . ?
Au10 N37 N38 Au12 8.3(9) . . . . ?
Au10 N37 N38 C158 178.8(6) . . . . ?
Au10 N37 C159 C157 -178.7(7) . . . . ?
Au10 N37 C159 C163 -3.2(14) . . . . ?
Au11 N36 N39 Au12 -11.4(9) . . . . ?
Au11 N36 N39 C86 179.1(6) . . . . ?
Au11 N36 C87 C85 -178.9(7) . . . . ?
Au11 N36 C87 C91 1.2(16) . . . . ?
Au11 N40 C213 C211 -173.6(8) . . . . ?
Au11 N40 C213 C217 4.7(17) . . . . ?
Au12 N38 C158 C157 168.9(7) . . . . ?
Au12 N38 C158 C160 -12.3(14) . . . . ?
Au12 N39 C86 C85 -168.2(7) . . . . ?
Au12 N39 C86 C88 10.8(14) . . . . ?
N1 N2 C3 C2 0.8(11) . . . . ?
N1 N2 C3 C9 176.1(9) . . . . ?
N1 C1 C2 C3 2.0(12) . . . . ?
N1 C1 C2 C13 178.3(8) . . . . ?
N1 C1 C4 C5 -112.5(17) . . . . ?
N1 C1 C4 C6 107.5(17) . . . . ?
N1 C1 C4 C7 65.8(17) . . . . ?
N1 C1 C4 C8 -72.3(16) . . . . ?
N2 N1 C1 C2 -1.5(11) . . . . ?
N2 N1 C1 C4 179.3(9) . . . . ?
N2 C3 C9 C10 -118(2) . . . . ?
N2 C3 C9 C11 123.0(13) . . . . ?
N2 C3 C9 C12 -73(2) . . . . ?
N3 N4 C60 C59 -1.4(10) . . . . ?
N3 N4 C60 C64 -178.1(8) . . . . ?
N3 C58 C59 C60 -1.8(11) . . . . ?
N3 C58 C59 C67 174.7(9) . . . . ?
N3 C58 C61 C62 57.5(14) . . . . ?
N3 C58 C61 C63 -71.0(13) . . . . ?
N4 N3 C58 C59 1.0(11) . . . . ?
N4 N3 C58 C61 -174.5(9) . . . . ?
N4 C60 C64 C65 -62.4(13) . . . . ?
N4 C60 C64 C66 74.3(14) . . . . ?
N5 N6 C114 C113 -2.2(10) . . . . ?
N5 N6 C114 C118 -179.6(8) . . . . ?
N5 C112 C113 C114 -1.9(11) . . . . ?
N5 C112 C113 C121 172.3(8) . . . . ?
N5 C112 C115 C116 -94.8(12) . . . . ?
N5 C112 C115 C117 134.5(10) . . . . ?
N6 N5 C112 C113 0.5(10) . . . . ?
N6 N5 C112 C115 179.6(8) . . . . ?
N6 C114 C118 C119 -80.2(15) . . . . ?
N6 C114 C118 C120 69.1(15) . . . . ?
N7 N8 C32 C31 2.5(9) . . . . ?
N7 N8 C32 C38 179.7(8) . . . . ?
N7 C33 C34 C35 130.2(9) . . . . ?
N7 C33 C34 C36 -104.4(10) . . . . ?
N8 N7 C33 C31 0.0(10) . . . . ?
N8 N7 C33 C34 174.6(8) . . . . ?
N8 C32 C38 C37 -53.1(12) . . . . ?
N8 C32 C38 C39 71.7(11) . . . . ?
N9 N10 C166 C167 -1.8(10) . . . . ?
N9 N10 C166 C169 179.7(8) . . . . ?
N9 C168 C172 C173 146.5(8) . . . . ?
N9 C168 C172 C174 -85.3(10) . . . . ?
N10 N9 C168 C167 -0.6(9) . . . . ?
N10 N9 C168 C172 179.6(7) . . . . ?
N10 C166 C167 C168 1.4(10) . . . . ?
N10 C166 C167 C175 179.1(7) . . . . ?
N10 C166 C169 C170 54.5(13) . . . . ?
N10 C166 C169 C171 -69.9(13) . . . . ?
N11 N12 C141 C139 1.1(9) . . . . ?
N11 N12 C141 C145 179.7(7) . . . . ?
N11 C140 C142 C143 149.8(7) . . . . ?
N11 C140 C142 C144 -85.0(9) . . . . ?
N12 N11 C140 C139 1.8(9) . . . . ?
N12 N11 C140 C142 -179.3(7) . . . . ?
N12 C141 C145 C146 -73.9(10) . . . . ?
N12 C141 C145 C147 50.9(10) . . . . ?
N13 N14 C50 C49 -0.8(11) . . . . ?
N13 N14 C50 C52 178.8(9) . . . . ?
N13 C51 C55 C56 148.1(10) . . . . ?
N13 C51 C55 C57 -86.0(12) . . . . ?
N14 N13 C51 C49 0.3(11) . . . . ?
N14 N13 C51 C55 178.7(9) . . . . ?
N14 C50 C52 C53 -96.3(12) . . . . ?
N14 C50 C52 C54 132.4(13) . . . . ?
N15 N16 C105 C103 -0.6(9) . . . . ?
N15 N16 C105 C109 -177.7(7) . . . . ?
N15 C104 C106 C107 76.1(12) . . . . ?
N15 C104 C106 C108 -54.0(12) . . . . ?
N16 N15 C104 C103 -0.4(9) . . . . ?
N16 N15 C104 C106 179.8(7) . . . . ?
N16 C105 C109 C110 67.4(10) . . . . ?
N16 C105 C109 C111 -58.4(11) . . . . ?
N17 N18 C195 C193 -0.1(10) . . . . ?
N17 N18 C195 C199 -178.7(8) . . . . ?
N17 C194 C196 C197 102.0(12) . . . . ?
N17 C194 C196 C198 -132.6(11) . . . . ?
N18 N17 C194 C193 -0.1(11) . . . . ?
N18 N17 C194 C196 177.9(9) . . . . ?
N18 C195 C199 C200 -60.3(13) . . . . ?
N18 C195 C199 C201 66.9(13) . . . . ?
N19 C20 C21 N20 74.5(12) . . . . ?
N20 C22 C23 N21 78.9(11) . . . . ?
N20 C40 C41 N22 75.5(12) . . . . ?
N21 C24 C25 C26 13.8(10) . . . . ?
N21 C24 C25 C30 -167.3(7) . . . . ?
N22 C42 C43 C48 4.9(14) . . . . ?
N22 C42 C43 C44 -177.6(9) . . . . ?
N23 C74 C75 N24 79.3(11) . . . . ?
N24 C76 C77 N26 79.2(12) . . . . ?
N24 C94 C95 N25 81.2(12) . . . . ?
N25 C96 C97 C98 -174.0(11) . . . . ?
N25 C96 C97 C102 7.3(16) . . . . ?
N26 C78 C79 C80 179.3(10) . . . . ?
N26 C78 C79 C84 -4.2(15) . . . . ?
N27 C128 C129 N28 83.2(12) . . . . ?
N28 C130 C131 N30 69.1(11) . . . . ?
N28 C148 C149 N29 82.9(11) . . . . ?
N29 C150 C151 C152 22.9(16) . . . . ?
N29 C150 C151 C156 -158.5(11) . . . . ?
N30 C132 C133 C134 -4.2(13) . . . . ?
N30 C132 C133 C138 173.5(9) . . . . ?
N31 C182 C183 N32 77.0(11) . . . . ?
N32 C184 C185 N33 88.9(12) . . . . ?
N32 C202 C203 N34 86.1(11) . . . . ?
N33 C186 C187 C192 -156.8(12) . . . . ?
N33 C186 C187 C188 20.3(17) . . . . ?
N34 C204 C205 C210 7.6(15) . . . . ?
N34 C204 C205 C206 -173.0(10) . . . . ?
N35 N40 C213 C211 1.7(13) . . . . ?
N35 N40 C213 C217 179.9(10) . . . . ?
N35 C212 C214 C215 -102.5(14) . . . . ?
N35 C212 C214 C216 132.5(13) . . . . ?
N36 N39 C86 C85 -0.4(11) . . . . ?
N36 N39 C86 C88 178.6(8) . . . . ?
N36 N39 C86 Au17 165.2(13) . . . . ?
N36 N39 Au17 C86 -162.7(14) . . . . ?
N36 N39 Au17 Au16 10.6(6) . . . . ?
N36 N39 Au17 Au18 9.7(9) . . . . ?
N36 C87 C91 C92 -88.9(15) . . . . ?
N36 C87 C91 C93 144.6(11) . . . . ?
N37 N38 C158 C157 0.4(10) . . . . ?
N37 N38 C158 C160 179.2(9) . . . . ?
N37 C159 C163 C164 70.8(13) . . . . ?
N37 C159 C163 C165 -55.9(12) . . . . ?
N38 N37 C159 C157 0.7(11) . . . . ?
N38 N37 C159 C163 176.1(8) . . . . ?
N38 C158 C160 C161 -58.3(14) . . . . ?
N38 C158 C160 C162 73.7(13) . . . . ?
N39 N36 C87 C85 -1.1(12) . . . . ?
N39 N36 C87 C91 179.0(9) . . . . ?
N39 N36 C87 Au16 172.2(13) . . . . ?
N39 N36 Au16 N40 37(2) . . . . ?
N39 N36 Au16 C87 -170.7(16) . . . . ?
N39 N36 Au16 Au17 10.9(7) . . . . ?
N39 N36 Au16 Au18 20.1(10) . . . . ?
N39 C86 C88 C89 137.0(10) . . . . ?
N39 C86 C88 C90 -95.6(11) . . . . ?
N40 N35 C212 C211 0.4(12) . . . . ?
N40 N35 C212 C214 179.0(11) . . . . ?
N40 C213 C217 C218 -63.1(15) . . . . ?
N40 C213 C217 C219 64.8(14) . . . . ?
C1 N1 N2 Au2 -174.9(6) . . . . ?
C1 N1 N2 C3 0.4(11) . . . . ?
C1 N1 N2 Au24 -173.7(7) . . . . ?
C1 C2 C3 N2 -1.7(12) . . . . ?
C1 C2 C3 C9 -176.2(12) . . . . ?
C1 C2 C13 C18 -88.0(11) . . . . ?
C1 C2 C13 C14 92.5(11) . . . . ?
C2 C1 C4 C5 68(2) . . . . ?
C2 C1 C4 C6 -71.6(19) . . . . ?
C2 C1 C4 C7 -113.3(17) . . . . ?
C2 C1 C4 C8 108.6(16) . . . . ?
C2 C3 C9 C10 56(3) . . . . ?
C2 C3 C9 C11 -63.1(18) . . . . ?
C2 C3 C9 C12 101(2) . . . . ?
C2 C13 C18 C17 -179.5(8) . . . . ?
C2 C13 C14 C15 179.5(8) . . . . ?
C3 C2 C13 C18 87.5(11) . . . . ?
C3 C2 C13 C14 -92.0(11) . . . . ?
C4 C1 C2 C3 -178.9(10) . . . . ?
C4 C1 C2 C13 -2.6(18) . . . . ?
C13 C2 C3 N2 -178.0(8) . . . . ?
C13 C2 C3 C9 7.5(18) . . . . ?
C13 C18 C17 C16 0.0 . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
C18 C17 C16 C15 0.0 . . . . ?
C18 C17 C16 C19 -177.3(10) . . . . ?
C17 C16 C15 C14 0.0 . . . . ?
C17 C16 C19 N19 -22(2) . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C16 C19 N19 160.1(17) . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C19 N19 C20 C21 115.3(17) . . . . ?
C19 C16 C15 C14 177.6(9) . . . . ?
C20 N19 C19 C16 175.3(12) . . . . ?
C21 N20 C22 C23 -155.5(8) . . . . ?
C21 N20 C40 C41 74.8(9) . . . . ?
C22 N20 C21 C20 79.4(9) . . . . ?
C22 N20 C40 C41 -164.4(8) . . . . ?
C23 N21 C24 C25 -177.4(7) . . . . ?
C24 N21 C23 C22 -88.6(11) . . . . ?
C24 C25 C30 C29 -178.9(6) . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C28 C31 C32 N8 176.0(7) . . . . ?
C28 C31 C32 C38 -1.1(13) . . . . ?
C28 C31 C33 N7 -176.9(8) . . . . ?
C28 C31 C33 C34 9.5(17) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C28 C31 C32 80.4(9) . . . . ?
C27 C28 C31 C33 -101.6(10) . . . . ?
C27 C26 C25 C24 178.9(6) . . . . ?
C27 C26 C25 C30 0.0 . . . . ?
C26 C25 C30 C29 0.0 . . . . ?
C25 C30 C29 C28 0.0 . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C29 C28 C31 C32 -95.9(8) . . . . ?
C29 C28 C31 C33 82.1(10) . . . . ?
C31 C28 C27 C26 -176.3(6) . . . . ?
C31 C28 C29 C30 176.3(6) . . . . ?
C31 C32 C38 C37 123.7(10) . . . . ?
C31 C32 C38 C39 -111.5(10) . . . . ?
C31 C33 C34 C35 -56.6(14) . . . . ?
C31 C33 C34 C36 68.8(14) . . . . ?
C32 C31 C33 N7 1.4(10) . . . . ?
C32 C31 C33 C34 -172.2(10) . . . . ?
C33 N7 N8 Au5 178.9(5) . . . . ?
C33 N7 N8 C32 -1.6(9) . . . . ?
C33 N7 N8 Au20 -179.8(6) . . . . ?
C33 C31 C32 N8 -2.4(10) . . . . ?
C33 C31 C32 C38 -179.6(8) . . . . ?
C40 N20 C21 C20 -159.2(8) . . . . ?
C40 N20 C22 C23 83.4(9) . . . . ?
C41 N22 C42 C43 -175.4(9) . . . . ?
C42 N22 C41 C40 -117.5(12) . . . . ?
C42 C43 C44 C45 -177.4(8) . . . . ?
C46 C300 C48 C43 0.0 . . . . ?
C46 C49 C50 N14 -178.4(8) . . . . ?
C46 C49 C50 C52 2.1(18) . . . . ?
C46 C49 C51 N13 178.6(8) . . . . ?
C46 C49 C51 C55 0.6(18) . . . . ?
C300 C46 C45 C44 0.0 . . . . ?
C300 C46 C49 C50 104.6(10) . . . . ?
C300 C46 C49 C51 -74.7(11) . . . . ?
C300 C48 C43 C42 177.4(8) . . . . ?
C300 C48 C43 C44 0.0 . . . . ?
C48 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C45 C46 C300 C48 0.0 . . . . ?
C45 C46 C49 C50 -74.7(11) . . . . ?
C45 C46 C49 C51 106.0(10) . . . . ?
C49 C46 C300 C48 -179.3(7) . . . . ?
C49 C46 C45 C44 179.3(7) . . . . ?
C49 C50 C52 C53 83.1(15) . . . . ?
C49 C50 C52 C54 -48.1(18) . . . . ?
C49 C51 C55 C56 -34.0(18) . . . . ?
C49 C51 C55 C57 91.8(13) . . . . ?
C50 C49 C51 N13 -0.8(11) . . . . ?
C50 C49 C51 C55 -178.8(11) . . . . ?
C51 N13 N14 Au8 172.5(6) . . . . ?
C51 N13 N14 C50 0.3(10) . . . . ?
C51 N13 N14 Au13 173.1(6) . . . . ?
C51 C49 C50 N14 1.0(11) . . . . ?
C51 C49 C50 C52 -178.6(11) . . . . ?
C58 N3 N4 Au3 -173.3(6) . . . . ?
C58 N3 N4 C60 0.3(10) . . . . ?
C58 N3 N4 Au22 -172.0(6) . . . . ?
C58 C59 C60 N4 2.0(11) . . . . ?
C58 C59 C60 C64 178.3(10) . . . . ?
C58 C59 C67 C68 -58.8(14) . . . . ?
C58 C59 C67 C72 126.7(11) . . . . ?
C59 C58 C61 C62 -117.0(12) . . . . ?
C59 C58 C61 C63 114.5(12) . . . . ?
C59 C60 C64 C65 121.8(11) . . . . ?
C59 C60 C64 C66 -101.6(15) . . . . ?
C59 C67 C68 C69 -178.5(10) . . . . ?
C59 C67 C72 C71 177.8(10) . . . . ?
C60 C59 C67 C68 117.0(12) . . . . ?
C60 C59 C67 C72 -57.5(15) . . . . ?
C61 C58 C59 C60 173.3(10) . . . . ?
C61 C58 C59 C67 -10.2(17) . . . . ?
C67 C59 C60 N4 -174.5(9) . . . . ?
C67 C59 C60 C64 1.8(17) . . . . ?
C67 C68 C69 C70 -0.6(17) . . . . ?
C68 C67 C72 C71 3.1(15) . . . . ?
C68 C69 C70 C71 5.3(15) . . . . ?
C68 C69 C70 C73 -176.1(9) . . . . ?
C69 C70 C71 C72 -5.9(15) . . . . ?
C69 C70 C73 N23 165.9(10) . . . . ?
C70 C71 C72 C67 1.7(16) . . . . ?
C71 C70 C73 N23 -15.6(14) . . . . ?
C72 C67 C68 C69 -3.7(16) . . . . ?
C73 N23 C74 C75 -122.1(11) . . . . ?
C73 C70 C71 C72 175.5(9) . . . . ?
C74 N23 C73 C70 -176.0(9) . . . . ?
C75 N24 C76 C77 81.5(11) . . . . ?
C75 N24 C94 C95 -152.2(10) . . . . ?
C76 N24 C75 C74 -146.4(9) . . . . ?
C76 N24 C94 C95 82.0(12) . . . . ?
C77 N26 C78 C79 -177.8(9) . . . . ?
C78 N26 C77 C76 -123.4(11) . . . . ?
C78 C79 C80 C81 -179.8(9) . . . . ?
C78 C79 C84 C83 179.5(9) . . . . ?
C79 C80 C81 C82 -1.6(16) . . . . ?
C80 C79 C84 C83 -3.9(15) . . . . ?
C80 C81 C82 C83 -0.2(14) . . . . ?
C80 C81 C82 C85 176.8(9) . . . . ?
C81 C82 C83 C84 -0.2(15) . . . . ?
C81 C82 C85 C86 -80.4(14) . . . . ?
C81 C82 C85 C87 99.9(13) . . . . ?
C82 C83 C84 C79 2.2(16) . . . . ?
C82 C85 C86 N39 180.0(9) . . . . ?
C82 C85 C86 C88 1.1(18) . . . . ?
C82 C85 C86 Au17 169.2(8) . . . . ?
C82 C85 C87 N36 -179.4(10) . . . . ?
C82 C85 C87 C91 0.5(19) . . . . ?
C82 C85 C87 Au16 175.1(8) . . . . ?
C83 C82 C85 C86 96.5(13) . . . . ?
C83 C82 C85 C87 -83.2(14) . . . . ?
C84 C79 C80 C81 3.6(15) . . . . ?
C85 C82 C83 C84 -177.2(9) . . . . ?
C85 C86 C88 C89 -44.2(15) . . . . ?
C85 C86 C88 C90 83.2(14) . . . . ?
C85 C87 C91 C92 91.2(16) . . . . ?
C85 C87 C91 C93 -35.2(18) . . . . ?
C86 N39 Au17 Au16 173.4(10) . . . . ?
C86 N39 Au17 Au18 172.5(7) . . . . ?
C86 C85 C87 N36 0.9(12) . . . . ?
C86 C85 C87 C91 -179.3(11) . . . . ?
C86 C85 C87 Au16 -4.6(15) . . . . ?
C87 N36 N39 Au12 170.5(7) . . . . ?
C87 N36 N39 C86 1.0(11) . . . . ?
C87 N36 N39 Au17 166.3(8) . . . . ?
C87 N36 Au16 N40 -152.5(18) . . . . ?
C87 N36 Au16 Au17 -178.4(11) . . . . ?
C87 N36 Au16 Au18 -169.3(8) . . . . ?
C87 C85 C86 N39 -0.3(11) . . . . ?
C87 C85 C86 C88 -179.1(10) . . . . ?
C87 C85 C86 Au17 -11.1(14) . . . . ?
C94 N24 C75 C74 88.4(11) . . . . ?
C94 N24 C76 C77 -152.0(9) . . . . ?
C95 N25 C96 C97 -179.6(9) . . . . ?
C96 N25 C95 C94 -103.7(12) . . . . ?
C96 C97 C98 C99 -176.6(10) . . . . ?
C96 C97 C102 C101 175.5(11) . . . . ?
C97 C98 C99 C100 0.0(17) . . . . ?
C98 C97 C102 C101 -3.2(17) . . . . ?
C98 C99 C100 C101 -1.3(16) . . . . ?
C98 C99 C100 C103 174.4(9) . . . . ?
C99 C100 C101 C102 0.3(17) . . . . ?
C99 C100 C103 C104 83.8(12) . . . . ?
C99 C100 C103 C105 -91.2(11) . . . . ?
C100 C101 C102 C97 2.0(19) . . . . ?
C100 C103 C104 N15 -175.8(8) . . . . ?
C100 C103 C104 C106 4.0(15) . . . . ?
C100 C103 C105 N16 176.1(8) . . . . ?
C100 C103 C105 C109 -6.8(14) . . . . ?
C101 C100 C103 C104 -100.9(12) . . . . ?
C101 C100 C103 C105 84.2(13) . . . . ?
C102 C97 C98 C99 2.2(16) . . . . ?
C103 C100 C101 C102 -175.1(10) . . . . ?
C103 C104 C106 C107 -103.6(11) . . . . ?
C103 C104 C106 C108 126.2(10) . . . . ?
C103 C105 C109 C110 -109.3(10) . . . . ?
C103 C105 C109 C111 125.0(9) . . . . ?
C104 N15 N16 Au9 -179.6(5) . . . . ?
C104 N15 N16 C105 0.6(9) . . . . ?
C104 N15 N16 Au14 179.9(5) . . . . ?
C104 C103 C105 N16 0.4(9) . . . . ?
C104 C103 C105 C109 177.4(8) . . . . ?
C105 C103 C104 N15 0.0(9) . . . . ?
C105 C103 C104 C106 179.8(8) . . . . ?
C112 N5 N6 Au1 -175.9(6) . . . . ?
C112 N5 N6 C114 1.1(10) . . . . ?
C112 N5 N6 Au23 -175.1(6) . . . . ?
C112 C113 C114 N6 2.5(11) . . . . ?
C112 C113 C114 C118 179.7(10) . . . . ?
C112 C113 C121 C126 108.9(10) . . . . ?
C112 C113 C121 C122 -71.6(11) . . . . ?
C113 C112 C115 C116 84.0(14) . . . . ?
C113 C112 C115 C117 -46.7(15) . . . . ?
C113 C114 C118 C119 103.0(15) . . . . ?
C113 C114 C118 C120 -107.7(14) . . . . ?
C113 C121 C126 C125 179.4(8) . . . . ?
C113 C121 C122 C123 -179.5(8) . . . . ?
C114 C113 C121 C126 -78.1(12) . . . . ?
C114 C113 C121 C122 101.4(10) . . . . ?
C115 C112 C113 C114 179.2(10) . . . . ?
C115 C112 C113 C121 -6.7(16) . . . . ?
C121 C113 C114 N6 -171.5(9) . . . . ?
C121 C113 C114 C118 5.6(17) . . . . ?
C121 C126 C125 C124 0.0 . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C126 C125 C124 C123 0.0 . . . . ?
C126 C125 C124 C127 176.1(9) . . . . ?
C125 C124 C123 C122 0.0 . . . . ?
C125 C124 C127 N27 -0.1(15) . . . . ?
C124 C123 C122 C121 0.0 . . . . ?
C123 C124 C127 N27 176.0(9) . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C127 N27 C128 C129 -121.1(11) . . . . ?
C127 C124 C123 C122 -176.2(9) . . . . ?
C128 N27 C127 C124 -179.2(9) . . . . ?
C129 N28 C130 C131 87.4(10) . . . . ?
C129 N28 C148 C149 -162.2(8) . . . . ?
C130 N28 C129 C128 -143.3(9) . . . . ?
C130 N28 C148 C149 73.9(10) . . . . ?
C131 N30 C132 C133 -175.8(8) . . . . ?
C132 N30 C131 C130 -138.4(9) . . . . ?
C132 C133 C134 C135 176.2(8) . . . . ?
C132 C133 C138 C137 -177.1(9) . . . . ?
C133 C134 C135 C136 0.8(12) . . . . ?
C134 C133 C138 C137 0.7(14) . . . . ?
C134 C135 C136 C137 0.5(12) . . . . ?
C134 C135 C136 C139 -176.5(7) . . . . ?
C135 C136 C137 C138 -1.2(13) . . . . ?
C135 C136 C139 C140 -67.0(11) . . . . ?
C135 C136 C139 C141 113.2(9) . . . . ?
C136 C137 C138 C133 0.6(16) . . . . ?
C136 C139 C140 N11 179.2(8) . . . . ?
C136 C139 C140 C142 0.5(15) . . . . ?
C136 C139 C141 N12 179.7(7) . . . . ?
C136 C139 C141 C145 1.2(14) . . . . ?
C137 C136 C139 C140 116.1(10) . . . . ?
C137 C136 C139 C141 -63.7(11) . . . . ?
C138 C133 C134 C135 -1.5(13) . . . . ?
C139 C136 C137 C138 175.9(9) . . . . ?
C139 C140 C142 C143 -31.7(13) . . . . ?
C139 C140 C142 C144 93.6(11) . . . . ?
C139 C141 C145 C146 104.4(10) . . . . ?
C139 C141 C145 C147 -130.7(9) . . . . ?
C140 N11 N12 Au4 163.5(5) . . . . ?
C140 N11 N12 C141 -1.8(8) . . . . ?
C140 N11 N12 Au19 163.2(5) . . . . ?
C140 C139 C141 N12 -0.1(9) . . . . ?
C140 C139 C141 C145 -178.6(8) . . . . ?
C141 C139 C140 N11 -1.0(9) . . . . ?
C141 C139 C140 C142 -179.7(9) . . . . ?
C148 N28 C129 C128 91.8(10) . . . . ?
C148 N28 C130 C131 -148.3(8) . . . . ?
C149 N29 C150 C151 175.5(9) . . . . ?
C150 N29 C149 C148 -88.0(12) . . . . ?
C150 C151 C152 C153 -176.3(10) . . . . ?
C150 C151 C156 C155 175.0(9) . . . . ?
C151 C152 C153 C154 -0.1(16) . . . . ?
C152 C151 C156 C155 -6.3(15) . . . . ?
C152 C153 C154 C155 -3.4(15) . . . . ?
C152 C153 C154 C157 -176.5(10) . . . . ?
C153 C154 C155 C156 2.2(14) . . . . ?
C153 C154 C157 C158 -131.5(11) . . . . ?
C153 C154 C157 C159 55.3(14) . . . . ?
C154 C155 C156 C151 2.7(15) . . . . ?
C154 C157 C158 N38 -174.6(9) . . . . ?
C154 C157 C158 C160 6.7(16) . . . . ?
C154 C157 C159 N37 173.9(9) . . . . ?
C154 C157 C159 C163 -1.3(17) . . . . ?
C155 C154 C157 C158 55.8(14) . . . . ?
C155 C154 C157 C159 -117.4(12) . . . . ?
C156 C151 C152 C153 5.0(16) . . . . ?
C157 C154 C155 C156 175.1(9) . . . . ?
C157 C158 C160 C161 120.2(12) . . . . ?
C157 C158 C160 C162 -107.8(13) . . . . ?
C157 C159 C163 C164 -114.6(11) . . . . ?
C157 C159 C163 C165 118.7(11) . . . . ?
C158 C157 C159 N37 -0.4(10) . . . . ?
C158 C157 C159 C163 -175.6(9) . . . . ?
C159 N37 N38 Au12 -171.2(6) . . . . ?
C159 N37 N38 C158 -0.7(10) . . . . ?
C159 N37 N38 Au17 -167.8(6) . . . . ?
C159 C157 C158 N38 0.0(10) . . . . ?
C159 C157 C158 C160 -178.6(10) . . . . ?
C166 C167 C168 N9 -0.5(10) . . . . ?
C166 C167 C168 C172 179.2(9) . . . . ?
C166 C167 C175 C180 -64.4(10) . . . . ?
C166 C167 C175 C176 111.1(9) . . . . ?
C167 C166 C169 C170 -123.6(10) . . . . ?
C167 C166 C169 C171 112.0(11) . . . . ?
C167 C168 C172 C173 -33.2(14) . . . . ?
C167 C168 C172 C174 95.1(11) . . . . ?
C167 C175 C180 C179 175.5(7) . . . . ?
C167 C175 C176 C177 -175.5(7) . . . . ?
C168 N9 N10 Au6 170.5(5) . . . . ?
C168 N9 N10 C166 1.6(9) . . . . ?
C168 N9 N10 Au21 171.1(5) . . . . ?
C168 C167 C175 C180 112.6(9) . . . . ?
C168 C167 C175 C176 -71.9(11) . . . . ?
C169 C166 C167 C168 179.8(9) . . . . ?
C169 C166 C167 C175 -2.6(15) . . . . ?
C175 C167 C168 N9 -177.9(8) . . . . ?
C175 C167 C168 C172 1.8(16) . . . . ?
C175 C180 C179 C178 0.0 . . . . ?
C180 C175 C176 C177 0.0 . . . . ?
C180 C179 C178 C177 0.0 . . . . ?
C180 C179 C178 C181 -177.9(7) . . . . ?
C179 C178 C177 C176 0.0 . . . . ?
C179 C178 C181 N31 173.7(8) . . . . ?
C178 C177 C176 C175 0.0 . . . . ?
C177 C178 C181 N31 -4.2(12) . . . . ?
C176 C175 C180 C179 0.0 . . . . ?
C181 N31 C182 C183 -108.2(11) . . . . ?
C181 C178 C177 C176 177.9(7) . . . . ?
C182 N31 C181 C178 -176.1(8) . . . . ?
C183 N32 C184 C185 77.4(10) . . . . ?
C183 N32 C202 C203 -164.0(8) . . . . ?
C184 N32 C183 C182 -155.7(8) . . . . ?
C184 N32 C202 C203 76.8(10) . . . . ?
C185 N33 C186 C187 -171.1(10) . . . . ?
C186 N33 C185 C184 -100.1(14) . . . . ?
C186 C187 C188 C189 -176.9(9) . . . . ?
C190 C191 C192 C187 0.0 . . . . ?
C190 C193 C194 N17 -174.1(9) . . . . ?
C190 C193 C194 C196 8.1(18) . . . . ?
C190 C193 C195 N18 174.6(8) . . . . ?
C190 C193 C195 C199 -6.8(15) . . . . ?
C191 C190 C189 C188 0.0 . . . . ?
C191 C190 C193 C194 73.4(11) . . . . ?
C191 C190 C193 C195 -99.8(10) . . . . ?
C191 C192 C187 C186 177.3(8) . . . . ?
C191 C192 C187 C188 0.0 . . . . ?
C192 C187 C188 C189 0.0 . . . . ?
C187 C188 C189 C190 0.0 . . . . ?
C189 C190 C191 C192 0.0 . . . . ?
C189 C190 C193 C194 -108.6(10) . . . . ?
C189 C190 C193 C195 78.1(10) . . . . ?
C193 C190 C191 C192 178.0(6) . . . . ?
C193 C190 C189 C188 -177.9(6) . . . . ?
C193 C194 C196 C197 -80.5(14) . . . . ?
C193 C194 C196 C198 44.9(17) . . . . ?
C193 C195 C199 C200 121.3(11) . . . . ?
C193 C195 C199 C201 -111.5(13) . . . . ?
C194 N17 N18 Au7 174.9(6) . . . . ?
C194 N17 N18 C195 0.1(10) . . . . ?
C194 N17 N18 Au15 179.1(6) . . . . ?
C194 C193 C195 N18 0.0(11) . . . . ?
C194 C193 C195 C199 178.6(9) . . . . ?
C195 C193 C194 N17 0.1(11) . . . . ?
C195 C193 C194 C196 -177.7(11) . . . . ?
C202 N32 C183 C182 82.6(9) . . . . ?
C202 N32 C184 C185 -162.0(9) . . . . ?
C203 N34 C204 C205 -171.4(9) . . . . ?
C204 N34 C203 C202 -113.5(12) . . . . ?
C204 C205 C206 C207 -179.5(9) . . . . ?
C208 C209 C210 C205 0.0 . . . . ?
C208 C211 C212 N35 -172.8(10) . . . . ?
C208 C211 C212 C214 9(2) . . . . ?
C208 C211 C213 N40 172.2(9) . . . . ?
C208 C211 C213 C217 -6(2) . . . . ?
C209 C208 C207 C206 0.0 . . . . ?
C209 C208 C211 C212 -75.4(12) . . . . ?
C209 C208 C211 C213 112.3(11) . . . . ?
C209 C210 C205 C204 179.5(9) . . . . ?
C209 C210 C205 C206 0.0 . . . . ?
C210 C205 C206 C207 0.0 . . . . ?
C205 C206 C207 C208 0.0 . . . . ?
C207 C208 C209 C210 0.0 . . . . ?
C207 C208 C211 C212 104.6(11) . . . . ?
C207 C208 C211 C213 -67.7(13) . . . . ?
C211 C208 C209 C210 180.0(8) . . . . ?
C211 C208 C207 C206 -180.0(8) . . . . ?
C211 C212 C214 C215 75.6(18) . . . . ?
C211 C212 C214 C216 -49.4(19) . . . . ?
C211 C213 C217 C218 114.8(14) . . . . ?
C211 C213 C217 C219 -117.4(14) . . . . ?
C212 N35 N40 Au11 174.9(7) . . . . ?
C212 N35 N40 C213 -1.3(12) . . . . ?
C212 N35 N40 Au16 177.7(7) . . . . ?
C212 C211 C213 N40 -1.4(13) . . . . ?
C212 C211 C213 C217 -179.5(12) . . . . ?
C213 C211 C212 N35 0.6(13) . . . . ?
C213 C211 C212 C214 -177.7(13) . . . . ?
C301 C303 C306 C313 -0.6(15) . . . . ?
C301 C303 C306 C314 -144.5(11) . . . . ?
C301 C311 C313 C306 -0.2(16) . . . . ?
C301 C311 C313 C321 138.8(14) . . . . ?
C301 C311 C319 C329 -138.5(16) . . . . ?
C301 C311 C319 C330 1(2) . . . . ?
C301 C312 C320 C327 139.2(16) . . . . ?
C301 C312 C320 C330 -8(2) . . . . ?
C302 C303 C306 C313 146.0(11) . . . . ?
C302 C303 C306 C314 2.1(17) . . . . ?
C302 C304 C307 C310 -0.7(15) . . . . ?
C302 C304 C307 C315 143.1(12) . . . . ?
C302 C304 C308 C314 -4.6(18) . . . . ?
C302 C304 C308 C316 -142.9(12) . . . . ?
C302 C305 C309 C312 4(3) . . . . ?
C302 C305 C309 C317 137.9(15) . . . . ?
C302 C305 C310 C307 0.1(15) . . . . ?
C302 C305 C310 C318 -139.1(13) . . . . ?
C303 C301 C311 C313 -0.1(17) . . . . ?
C303 C301 C311 C319 144.2(15) . . . . ?
C303 C301 C312 C309 5(2) . . . . ?
C303 C301 C312 C320 -132.7(16) . . . . ?
C303 C302 C304 C307 -134.4(14) . . . . ?
C303 C302 C304 C308 12(2) . . . . ?
C303 C302 C305 C309 1.1(19) . . . . ?
C303 C302 C305 C310 144.4(12) . . . . ?
C303 C306 C313 C311 0.5(15) . . . . ?
C303 C306 C313 C321 -145.1(12) . . . . ?
C303 C306 C314 C308 3.5(19) . . . . ?
C303 C306 C314 C322 138.3(14) . . . . ?
C304 C302 C303 C301 130.0(16) . . . . ?
C304 C302 C303 C306 -10(2) . . . . ?
C304 C302 C305 C309 -143.8(13) . . . . ?
C304 C302 C305 C310 -0.5(15) . . . . ?
C304 C307 C310 C305 0.4(14) . . . . ?
C304 C307 C310 C318 140.5(12) . . . . ?
C304 C307 C315 C323 -137.9(14) . . . . ?
C304 C307 C315 C324 2(2) . . . . ?
C304 C308 C314 C306 -2(2) . . . . ?
C304 C308 C314 C322 -144.7(14) . . . . ?
C304 C308 C316 C324 1(2) . . . . ?
C304 C308 C316 C325 147.6(13) . . . . ?
C305 C302 C303 C301 -3.0(19) . . . . ?
C305 C302 C303 C306 -143.4(12) . . . . ?
C305 C302 C304 C307 0.7(14) . . . . ?
C305 C302 C304 C308 146.8(12) . . . . ?
C305 C309 C312 C301 -7(2) . . . . ?
C305 C309 C312 C320 133.1(17) . . . . ?
C305 C309 C317 C326 1(3) . . . . ?
C305 C309 C317 C327 -138.6(16) . . . . ?
C305 C310 C318 C326 -4(2) . . . . ?
C305 C310 C318 C328 135.8(15) . . . . ?
C306 C313 C321 C331 140.6(13) . . . . ?
C306 C313 C321 C332 6.2(19) . . . . ?
C306 C314 C322 C325 -137.7(14) . . . . ?
C306 C314 C322 C332 2(2) . . . . ?
C307 C304 C308 C314 134.1(14) . . . . ?
C307 C304 C308 C316 -4(2) . . . . ?
C307 C310 C318 C326 -137.3(15) . . . . ?
C307 C310 C318 C328 3(2) . . . . ?
C307 C315 C323 C328 0(2) . . . . ?
C307 C315 C323 C333 142.6(13) . . . . ?
C307 C315 C324 C316 -4(2) . . . . ?
C307 C315 C324 C334 -142.6(13) . . . . ?
C308 C304 C307 C310 -140.6(14) . . . . ?
C308 C304 C307 C315 3(2) . . . . ?
C308 C314 C322 C325 6.9(17) . . . . ?
C308 C314 C322 C332 146.8(14) . . . . ?
C308 C316 C324 C315 3(2) . . . . ?
C308 C316 C324 C334 137.8(16) . . . . ?
C308 C316 C325 C322 -3.6(17) . . . . ?
C308 C316 C325 C335 -147.0(16) . . . . ?
C309 C305 C310 C307 145.3(13) . . . . ?
C309 C305 C310 C318 6(2) . . . . ?
C309 C312 C320 C327 6(2) . . . . ?
C309 C312 C320 C330 -140.8(15) . . . . ?
C309 C317 C326 C318 2(2) . . . . ?
C309 C317 C326 C336 -136.1(16) . . . . ?
C309 C317 C327 C320 -5(2) . . . . ?
C309 C317 C327 C337 132(2) . . . . ?
C310 C305 C309 C312 -137.8(17) . . . . ?
C310 C305 C309 C317 -4(2) . . . . ?
C310 C307 C315 C323 2(2) . . . . ?
C310 C307 C315 C324 142.0(13) . . . . ?
C310 C318 C326 C317 0(2) . . . . ?
C310 C318 C326 C336 141.3(14) . . . . ?
C310 C318 C328 C323 -1(2) . . . . ?
C310 C318 C328 C338 -143.7(13) . . . . ?
C311 C301 C303 C302 -141.6(14) . . . . ?
C311 C301 C303 C306 0.4(15) . . . . ?
C311 C301 C312 C309 141.6(14) . . . . ?
C311 C301 C312 C320 4(2) . . . . ?
C311 C313 C321 C331 4(2) . . . . ?
C311 C313 C321 C332 -129.9(16) . . . . ?
C311 C319 C329 C331 3(3) . . . . ?
C311 C319 C329 C339 144.9(15) . . . . ?
C311 C319 C330 C320 -5(3) . . . . ?
C311 C319 C330 C340 -142.9(15) . . . . ?
C312 C301 C303 C302 0(2) . . . . ?
C312 C301 C303 C306 141.9(15) . . . . ?
C312 C301 C311 C313 -145.3(14) . . . . ?
C312 C301 C311 C319 -1(2) . . . . ?
C312 C309 C317 C326 146.8(17) . . . . ?
C312 C309 C317 C327 8(2) . . . . ?
C312 C320 C327 C317 -0.8(19) . . . . ?
C312 C320 C327 C337 -150.4(15) . . . . ?
C312 C320 C330 C319 8(2) . . . . ?
C312 C320 C330 C340 140.6(16) . . . . ?
C313 C306 C314 C308 -135.1(15) . . . . ?
C313 C306 C314 C322 0(2) . . . . ?
C313 C311 C319 C329 4(2) . . . . ?
C313 C311 C319 C330 143.8(15) . . . . ?
C313 C321 C331 C329 2.7(19) . . . . ?
C313 C321 C331 C341 -142.7(13) . . . . ?
C313 C321 C332 C322 -5(2) . . . . ?
C313 C321 C332 C342 139.4(13) . . . . ?
C314 C306 C313 C311 141.8(13) . . . . ?
C314 C306 C313 C321 -3.7(19) . . . . ?
C314 C308 C316 C324 -137.8(15) . . . . ?
C314 C308 C316 C325 8.8(17) . . . . ?
C314 C322 C325 C316 -2.3(19) . . . . ?
C314 C322 C325 C335 143.4(14) . . . . ?
C314 C322 C332 C321 0(2) . . . . ?
C314 C322 C332 C342 -138.4(15) . . . . ?
C315 C307 C310 C305 -143.6(12) . . . . ?
C315 C307 C310 C318 -3.5(19) . . . . ?
C315 C323 C328 C318 0(2) . . . . ?
C315 C323 C328 C338 137.3(15) . . . . ?
C315 C323 C333 C334 -1.9(18) . . . . ?
C315 C323 C333 C343 -145.8(13) . . . . ?
C315 C324 C334 C333 -1.7(17) . . . . ?
C315 C324 C334 C344 141.9(14) . . . . ?
C316 C308 C314 C306 132.5(14) . . . . ?
C316 C308 C314 C322 -10.0(17) . . . . ?
C316 C324 C334 C333 -140.0(14) . . . . ?
C316 C324 C334 C344 3(2) . . . . ?
C316 C325 C335 C344 -4(2) . . . . ?
C316 C325 C335 C345 133.5(17) . . . . ?
C317 C309 C312 C301 -147.9(13) . . . . ?
C317 C309 C312 C320 -8.0(19) . . . . ?
C317 C326 C336 C338 142.5(15) . . . . ?
C317 C326 C336 C346 1(3) . . . . ?
C317 C327 C337 C346 10(3) . . . . ?
C317 C327 C337 C347 -123(2) . . . . ?
C318 C326 C336 C338 4.1(18) . . . . ?
C318 C326 C336 C346 -136.9(17) . . . . ?
C318 C328 C338 C336 0.0(17) . . . . ?
C318 C328 C338 C348 144.4(12) . . . . ?
C319 C311 C313 C306 -147.0(14) . . . . ?
C319 C311 C313 C321 -8(2) . . . . ?
C319 C329 C331 C321 -6(2) . . . . ?
C319 C329 C331 C341 135.9(16) . . . . ?
C319 C329 C339 C340 -4.6(18) . . . . ?
C319 C329 C339 C349 -145.8(14) . . . . ?
C319 C330 C340 C339 -0.1(19) . . . . ?
C319 C330 C340 C347 143.0(15) . . . . ?
C320 C327 C337 C346 145.4(16) . . . . ?
C320 C327 C337 C347 12(3) . . . . ?
C320 C330 C340 C339 -141.0(15) . . . . ?
C320 C330 C340 C347 2(2) . . . . ?
C321 C331 C341 C342 -0.4(17) . . . . ?
C321 C331 C341 C350 141.6(12) . . . . ?
C321 C332 C342 C341 -1.7(18) . . . . ?
C321 C332 C342 C345 -143.1(15) . . . . ?
C322 C325 C335 C344 -144.8(15) . . . . ?
C322 C325 C335 C345 -8(3) . . . . ?
C322 C332 C342 C341 141.8(15) . . . . ?
C322 C332 C342 C345 0(2) . . . . ?
C323 C315 C324 C316 138.7(14) . . . . ?
C323 C315 C324 C334 0.6(18) . . . . ?
C323 C328 C338 C336 -140.9(14) . . . . ?
C323 C328 C338 C348 4(2) . . . . ?
C323 C333 C334 C324 2.3(18) . . . . ?
C323 C333 C334 C344 -138.1(15) . . . . ?
C323 C333 C343 C348 -0.6(19) . . . . ?
C323 C333 C343 C351 139.3(14) . . . . ?
C324 C315 C323 C328 -142.3(14) . . . . ?
C324 C315 C323 C333 0.8(17) . . . . ?
C324 C316 C325 C322 146.2(15) . . . . ?
C324 C316 C325 C335 3(2) . . . . ?
C324 C334 C344 C335 -5(2) . . . . ?
C324 C334 C344 C352 -139.8(15) . . . . ?
C325 C316 C324 C315 -137.0(15) . . . . ?
C325 C316 C324 C334 -3(2) . . . . ?
C325 C322 C332 C321 137.3(15) . . . . ?
C325 C322 C332 C342 -1(2) . . . . ?
C325 C335 C344 C334 5(2) . . . . ?
C325 C335 C344 C352 144.4(14) . . . . ?
C325 C335 C345 C342 7(2) . . . . ?
C325 C335 C345 C353 -136.2(16) . . . . ?
C326 C317 C327 C320 -150.3(15) . . . . ?
C326 C317 C327 C337 -14(3) . . . . ?
C326 C318 C328 C323 145.2(14) . . . . ?
C326 C318 C328 C338 2.4(17) . . . . ?
C326 C336 C338 C328 -2.5(17) . . . . ?
C326 C336 C338 C348 -139.1(15) . . . . ?
C326 C336 C346 C337 -6(3) . . . . ?
C326 C336 C346 C354 135.7(17) . . . . ?
C327 C317 C326 C318 144.2(15) . . . . ?
C327 C317 C326 C336 7(2) . . . . ?
C327 C320 C330 C319 -130.5(19) . . . . ?
C327 C320 C330 C340 2(3) . . . . ?
C327 C337 C346 C336 1(2) . . . . ?
C327 C337 C346 C354 -140.8(16) . . . . ?
C327 C337 C347 C340 -9(3) . . . . ?
C327 C337 C347 C355 137(2) . . . . ?
C328 C318 C326 C317 -145.2(14) . . . . ?
C328 C318 C326 C336 -4.1(18) . . . . ?
C328 C323 C333 C334 140.3(15) . . . . ?
C328 C323 C333 C343 -4(2) . . . . ?
C328 C338 C348 C343 -9(2) . . . . ?
C328 C338 C348 C356 -143.6(13) . . . . ?
C329 C319 C330 C320 135.1(16) . . . . ?
C329 C319 C330 C340 -3(2) . . . . ?
C329 C331 C341 C342 -143.5(14) . . . . ?
C329 C331 C341 C350 -1(2) . . . . ?
C329 C339 C340 C330 3(2) . . . . ?
C329 C339 C340 C347 -139.6(15) . . . . ?
C329 C339 C349 C350 0(2) . . . . ?
C329 C339 C349 C357 135.5(15) . . . . ?
C330 C319 C329 C331 -137.6(16) . . . . ?
C330 C319 C329 C339 4.7(19) . . . . ?
C330 C320 C327 C317 141.3(17) . . . . ?
C330 C320 C327 C337 -8(3) . . . . ?
C330 C340 C347 C337 1(2) . . . . ?
C330 C340 C347 C355 -136.4(18) . . . . ?
C331 C321 C332 C322 -142.8(14) . . . . ?
C331 C321 C332 C342 1.3(16) . . . . ?
C331 C329 C339 C340 141.8(15) . . . . ?
C331 C329 C339 C349 1(2) . . . . ?
C331 C341 C342 C332 1.3(17) . . . . ?
C331 C341 C342 C345 146.2(14) . . . . ?
C331 C341 C350 C349 2.6(19) . . . . ?
C331 C341 C350 C358 -137.4(13) . . . . ?
C332 C321 C331 C329 144.8(13) . . . . ?
C332 C321 C331 C341 -0.6(17) . . . . ?
C332 C322 C325 C316 -141.2(15) . . . . ?
C332 C322 C325 C335 4(2) . . . . ?
C332 C342 C345 C335 -3(2) . . . . ?
C332 C342 C345 C353 136.6(15) . . . . ?
C333 C323 C328 C318 -135.7(15) . . . . ?
C333 C323 C328 C338 2(2) . . . . ?
C333 C334 C344 C335 130.3(17) . . . . ?
C333 C334 C344 C352 -4(2) . . . . ?
C333 C343 C348 C338 8(2) . . . . ?
C333 C343 C348 C356 146.6(12) . . . . ?
C333 C343 C351 C352 -1(2) . . . . ?
C333 C343 C351 C359 -145.1(13) . . . . ?
C334 C333 C343 C348 -143.0(13) . . . . ?
C334 C333 C343 C351 -3(2) . . . . ?
C334 C344 C352 C351 0(2) . . . . ?
C334 C344 C352 C353 142.6(14) . . . . ?
C335 C344 C352 C351 -143.8(13) . . . . ?
C335 C344 C352 C353 -1.1(18) . . . . ?
C335 C345 C353 C352 -3.4(17) . . . . ?
C335 C345 C353 C358 136.5(14) . . . . ?
C336 C338 C348 C343 127.5(17) . . . . ?
C336 C338 C348 C356 -7(2) . . . . ?
C336 C346 C354 C355 -147.1(16) . . . . ?
C336 C346 C354 C356 -4(2) . . . . ?
C337 C346 C354 C355 -6.0(19) . . . . ?
C337 C346 C354 C356 137.6(16) . . . . ?
C337 C347 C355 C354 -5(2) . . . . ?
C337 C347 C355 C357 -146.6(14) . . . . ?
C338 C336 C346 C337 -142.7(16) . . . . ?
C338 C336 C346 C354 -1(2) . . . . ?
C338 C348 C356 C354 1.8(18) . . . . ?
C338 C348 C356 C359 144.1(12) . . . . ?
C339 C329 C331 C321 -142.3(14) . . . . ?
C339 C329 C331 C341 0(2) . . . . ?
C339 C340 C347 C337 139.3(16) . . . . ?
C339 C340 C347 C355 2(3) . . . . ?
C339 C349 C350 C341 -2(2) . . . . ?
C339 C349 C350 C358 142.1(13) . . . . ?
C339 C349 C357 C355 1(2) . . . . ?
C339 C349 C357 C360 -140.4(13) . . . . ?
C340 C339 C349 C350 -139.7(14) . . . . ?
C340 C339 C349 C357 -5(2) . . . . ?
C340 C347 C355 C354 136.0(16) . . . . ?
C340 C347 C355 C357 -6(2) . . . . ?
C341 C342 C345 C335 -143.5(14) . . . . ?
C341 C342 C345 C353 -4(2) . . . . ?
C341 C350 C358 C353 -2.3(18) . . . . ?
C341 C350 C358 C360 142.7(12) . . . . ?
C342 C341 C350 C349 135.2(15) . . . . ?
C342 C341 C350 C358 -5(2) . . . . ?
C342 C345 C353 C352 -142.4(15) . . . . ?
C342 C345 C353 C358 -3(2) . . . . ?
C343 C333 C334 C324 146.5(13) . . . . ?
C343 C333 C334 C344 6(2) . . . . ?
C343 C348 C356 C354 -145.7(12) . . . . ?
C343 C348 C356 C359 -3.4(14) . . . . ?
C343 C351 C352 C344 3(2) . . . . ?
C343 C351 C352 C353 -139.8(14) . . . . ?
C343 C351 C359 C356 3.3(14) . . . . ?
C343 C351 C359 C360 141.5(13) . . . . ?
C344 C335 C345 C342 145.7(14) . . . . ?
C344 C335 C345 C353 3.0(19) . . . . ?
C344 C352 C353 C345 2.7(17) . . . . ?
C344 C352 C353 C358 -138.2(14) . . . . ?
C345 C335 C344 C334 -140.5(15) . . . . ?
C345 C335 C344 C352 -1.1(17) . . . . ?
C345 C353 C358 C350 6(2) . . . . ?
C345 C353 C358 C360 -134.3(14) . . . . ?
C346 C336 C338 C328 143.6(14) . . . . ?
C346 C336 C338 C348 7(2) . . . . ?
C346 C337 C347 C340 -145.0(16) . . . . ?
C346 C337 C347 C355 0.8(19) . . . . ?
C346 C354 C355 C347 6.5(18) . . . . ?
C346 C354 C355 C357 143.0(15) . . . . ?
C346 C354 C356 C348 3(2) . . . . ?
C346 C354 C356 C359 -136.6(16) . . . . ?
C347 C337 C346 C336 145.0(15) . . . . ?
C347 C337 C346 C354 4(2) . . . . ?
C347 C355 C357 C349 4(2) . . . . ?
C347 C355 C357 C360 145.3(13) . . . . ?
C348 C343 C351 C352 138.0(14) . . . . ?
C348 C343 C351 C359 -6.0(15) . . . . ?
C348 C356 C359 C351 0.1(15) . . . . ?
C348 C356 C359 C360 -142.5(12) . . . . ?
C349 C339 C340 C330 146.2(14) . . . . ?
C349 C339 C340 C347 4(2) . . . . ?
C349 C350 C358 C353 -147.2(12) . . . . ?
C349 C350 C358 C360 -2.2(14) . . . . ?
C349 C357 C360 C358 -1.0(15) . . . . ?
C349 C357 C360 C359 137.9(14) . . . . ?
C350 C341 C342 C332 -136.9(14) . . . . ?
C350 C341 C342 C345 8(2) . . . . ?
C350 C349 C357 C355 140.8(14) . . . . ?
C350 C349 C357 C360 -0.2(15) . . . . ?
C350 C358 C360 C357 2.0(14) . . . . ?
C350 C358 C360 C359 -144.9(11) . . . . ?
C351 C343 C348 C338 -133.0(16) . . . . ?
C351 C343 C348 C356 5.9(15) . . . . ?
C351 C352 C353 C345 146.2(13) . . . . ?
C351 C352 C353 C358 5(2) . . . . ?
C351 C359 C360 C357 -129.6(15) . . . . ?
C351 C359 C360 C358 6.4(19) . . . . ?
C352 C351 C359 C356 -142.1(13) . . . . ?
C352 C351 C359 C360 -4(2) . . . . ?
C352 C353 C358 C350 137.5(13) . . . . ?
C352 C353 C358 C360 -3(2) . . . . ?
C353 C358 C360 C357 143.7(13) . . . . ?
C353 C358 C360 C359 -3.2(18) . . . . ?
C354 C355 C357 C349 -134.4(15) . . . . ?
C354 C355 C357 C360 7(2) . . . . ?
C354 C356 C359 C351 142.2(12) . . . . ?
C354 C356 C359 C360 -0.4(17) . . . . ?
C355 C354 C356 C348 138.6(14) . . . . ?
C355 C354 C356 C359 -1(2) . . . . ?
C355 C357 C360 C358 -148.3(12) . . . . ?
C355 C357 C360 C359 -9(2) . . . . ?
C356 C354 C355 C347 -138.7(15) . . . . ?
C356 C354 C355 C357 -2(2) . . . . ?
C356 C359 C360 C357 6(2) . . . . ?
C356 C359 C360 C358 142.4(12) . . . . ?
C357 C349 C350 C341 -142.8(12) . . . . ?
C357 C349 C350 C358 1.4(14) . . . . ?
C359 C351 C352 C344 140.5(13) . . . . ?
C359 C351 C352 C353 -2.2(19) . . . . ?
Au14 N16 C105 C103 -179.8(6) . . . . ?
Au14 N16 C105 C109 3.1(12) . . . . ?
Au14 N17 N18 C195 -174.4(6) . . . . ?
Au14 N17 N18 Au15 4.5(9) . . . . ?
Au14 N17 C194 C193 173.5(7) . . . . ?
Au14 N17 C194 C196 -8.5(15) . . . . ?
Au15 N13 N14 C50 173.3(7) . . . . ?
Au15 N13 N14 Au13 -13.9(9) . . . . ?
Au15 N13 C51 C49 -171.9(7) . . . . ?
Au15 N13 C51 C55 6.4(14) . . . . ?
Au15 N18 C195 C193 -178.9(7) . . . . ?
Au15 N18 C195 C199 2.5(14) . . . . ?
Au13 N14 C50 C49 -172.3(7) . . . . ?
Au13 N14 C50 C52 7.2(14) . . . . ?
Au13 N15 N16 C105 -171.4(5) . . . . ?
Au13 N15 N16 Au14 8.0(7) . . . . ?
Au13 N15 C104 C103 170.0(6) . . . . ?
Au13 N15 C104 C106 -9.8(13) . . . . ?
Au17 N38 C158 C157 166.5(6) . . . . ?
Au17 N38 C158 C160 -14.7(13) . . . . ?
Au17 N39 C86 C85 -165.6(8) . . . . ?
Au17 N39 C86 C88 13.5(13) . . . . ?
Au17 C86 C88 C89 143.7(9) . . . . ?
Au17 C86 C88 C90 -89.0(9) . . . . ?
Au16 N36 N39 C86 172.8(8) . . . . ?
Au16 N36 N39 Au17 -21.9(13) . . . . ?
Au16 N36 C87 C85 -173.3(8) . . . . ?
Au16 N36 C87 C91 6.8(15) . . . . ?
Au16 N40 C213 C211 -177.3(8) . . . . ?
Au16 N40 C213 C217 1.0(16) . . . . ?
Au16 C87 C91 C92 -85.4(11) . . . . ?
Au16 C87 C91 C93 148.2(10) . . . . ?
Au18 N35 N40 C213 -173.1(7) . . . . ?
Au18 N35 N40 Au16 5.9(10) . . . . ?
Au18 N35 C212 C211 167.8(10) . . . . ?
Au18 N35 C212 C214 -14(2) . . . . ?
Au18 N37 N38 C158 173.7(6) . . . . ?
Au18 N37 N38 Au17 6.6(8) . . . . ?
Au18 N37 C159 C157 -170.8(9) . . . . ?
Au18 N37 C159 C163 4.7(17) . . . . ?
Au19 N7 N8 C32 179.7(5) . . . . ?
Au19 N7 N8 Au20 1.5(8) . . . . ?
Au19 N7 C33 C31 178.6(6) . . . . ?
Au19 N7 C33 C34 -6.8(13) . . . . ?
Au19 N12 C141 C139 -161.8(6) . . . . ?
Au19 N12 C141 C145 16.9(12) . . . . ?
Au20 N8 C32 C31 -179.7(6) . . . . ?
Au20 N8 C32 C38 -2.5(13) . . . . ?
Au20 N9 N10 C166 174.8(6) . . . . ?
Au20 N9 N10 Au21 -15.7(8) . . . . ?
Au20 N9 C168 C167 -172.8(6) . . . . ?
Au20 N9 C168 C172 7.5(12) . . . . ?
Au21 N10 C166 C167 -169.3(6) . . . . ?
Au21 N10 C166 C169 12.2(14) . . . . ?
Au21 N11 N12 C141 177.6(5) . . . . ?
Au21 N11 N12 Au19 -17.4(7) . . . . ?
Au21 N11 C140 C139 -177.5(6) . . . . ?
Au21 N11 C140 C142 1.5(11) . . . . ?
Au22 N4 C60 C59 169.3(7) . . . . ?
Au22 N4 C60 C64 -7.4(14) . . . . ?
Au22 N5 N6 C114 171.7(6) . . . . ?
Au22 N5 N6 Au23 -4.4(8) . . . . ?
Au22 N5 C112 C113 -168.6(6) . . . . ?
Au22 N5 C112 C115 10.5(13) . . . . ?
Au23 N1 N2 C3 175.8(7) . . . . ?
Au23 N1 N2 Au24 1.7(10) . . . . ?
Au23 N1 C1 C2 -176.3(7) . . . . ?
Au23 N1 C1 C4 4.5(15) . . . . ?
Au23 N6 C114 C113 173.3(7) . . . . ?
Au23 N6 C114 C118 -4.0(14) . . . . ?
Au24 N2 C3 C2 174.4(7) . . . . ?
Au24 N2 C3 C9 -10.4(15) . . . . ?
Au24 N3 N4 C60 172.3(6) . . . . ?
Au24 N3 N4 Au22 0.0(9) . . . . ?
Au24 N3 C58 C59 -170.1(7) . . . . ?
Au24 N3 C58 C61 14.5(15) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 618 electrons were 
found in a volume of 2598Å³ in 5 voids per unit cell. 
This is consistent with the presence of 
2[CDCl3] per Asymmetric Unit 
which account for 652 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.656 -0.156 -0.656 2396.2 609.7 '4 CDCl3'
2 0.108 0.115 0.292 17.4 0.0 ?
3 0.093 0.209 0.811 37.6 -1.5 ?
4 0.296 0.278 0.693 23.6 0.3 ?
5 0.364 0.212 0.282 22.4 5.8 ?
6 0.408 0.528 0.778 7.2 0.0 ?
7 0.483 0.880 0.274 7.2 0.0 ?
8 0.517 0.120 0.726 7.2 0.0 ?
9 0.592 0.472 0.222 7.2 0.0 ?
10 0.636 0.788 0.718 22.4 6.1 ?
11 0.704 0.722 0.307 23.6 0.0 ?
12 0.907 0.791 0.189 37.6 0.0 ?
13 0.892 0.885 0.708 17.4 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 3.321
_oxdiff_exptl_absorpt_empirical_full_min 0.475

# start Validation Reply Form
_vrf_PLAT971_ne0253              
;
PROBLEM: Check Calcd Resid. Dens.  0.88Ang From Au20            2.51 eA-3  
RESPONSE: This is due to absorption effects
;
# end Validation Reply Form

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ne0277_big
_database_code_depnum_ccdc_archive 'CCDC 2284425'
loop_
_audit_author_name
_audit_author_address
'Farzaneh Fadaei Tirani'
;EPFL
Switzerland
;
_audit_update_record             
;
2024-01-18 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_audit_creation_date             2024-01-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C216 H272 Au12 N40, C70, 13[C2H2Cl4]'
_chemical_formula_sum            'C312 H298 Au12 Cl52 N40'
_chemical_formula_weight         8788.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C312 H298 Au12 Cl52 N40'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   27.2311(3)
_cell_length_b                   27.3567(3)
_cell_length_c                   27.4198(4)
_cell_angle_alpha                62.4166(13)
_cell_angle_beta                 79.9283(11)
_cell_angle_gamma                72.2345(9)
_cell_volume                     17227.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    78413
_cell_measurement_temperature    229.99(10)
_cell_measurement_theta_max      68.2490
_cell_measurement_theta_min      1.7480
_shelx_estimated_absorpt_T_max   0.221
_shelx_estimated_absorpt_T_min   0.133
_exptl_absorpt_coefficient_mu    13.495
_exptl_absorpt_correction_T_max  0.513
_exptl_absorpt_correction_T_min  0.198
_exptl_absorpt_correction_type   Gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             8512
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.0968
1 0 0 0.1146
0 -1 0 0.0774
0 1 0 0.0811
-1 -1 0 0.1291
1 1 0 0.0785
0 -1 -1 0.1065
0 1 1 0.0804
0 0 -1 0.0502
0 0 1 0.1242
1 0 1 0.1214
2 1 2 0.1123
-1 0 1 0.1253
2 0 1 0.1146

_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.0000 -0.0000 -0.0000 -0.0114 0.0082 -0.0578
1.0000 0.0000 0.0000 0.0114 -0.0082 0.0578
-0.0000 -1.0000 -0.0000 0.0655 0.0019 0.0047
0.0000 1.0000 0.0000 -0.0655 -0.0019 -0.0047
-1.0000 -1.0000 -0.0000 0.0541 0.0101 -0.0531
1.0000 1.0000 0.0000 -0.0541 -0.0101 0.0531
0.0000 -1.0000 -1.0000 0.0351 0.0551 0.0209
-0.0000 1.0000 1.0000 -0.0351 -0.0551 -0.0209
0.0000 0.0000 -1.0000 -0.0305 0.0532 0.0162
-0.0000 -0.0000 1.0000 0.0305 -0.0532 -0.0162
1.0000 -0.0000 1.0000 0.0419 -0.0614 0.0416
2.0000 1.0000 2.0000 0.0183 -0.1247 0.0785
-1.0000 -0.0000 1.0000 0.0190 -0.0450 -0.0740
2.0000 -0.0000 1.0000 0.0533 -0.0696 0.0993

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            297732
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        66.601
_diffrn_reflns_theta_max         66.600
_diffrn_reflns_theta_min         1.705
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      229.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     65.00  94.00   0.50    0.20    --   69.60-125.00 120.00   58
  2  ω     28.00  61.00   0.50    0.20    --   69.60-125.00 120.00   66
  3  ω     52.00  96.00   0.50    0.20    --   69.60-125.00 -90.00   88
  4  ω     46.00  73.00   0.50    0.20    --   78.02-125.00-180.00   54
  5  ω     78.00 105.00   0.50    0.20    --   78.02-125.00-180.00   54
  6  ω     66.00 104.00   0.50    0.20    --   78.02-125.00-150.00   76
  7  ω     80.00 105.00   0.50    0.20    --   78.02-125.00   0.00   50
  8  ω     80.00 105.00   0.50    0.20    --   78.02-125.00 -30.00   50
  9  ω     71.00 105.00   0.50    0.20    --   78.02-125.00 -60.00   68
 10  ω     74.00 103.00   0.50    0.20    --   78.02-125.00  30.00   58
 11  ω     38.00  64.00   0.50    0.20    --   78.02-125.00  30.00   52
 12  ω     36.00 104.00   0.50    0.20    --   78.02-125.00  60.00  136
 13  ω     79.00 105.00   0.50    0.20    --   78.02-125.00 120.00   52
 14  ω     80.00 105.00   0.50    0.20    --   78.02-125.00 150.00   50
 15  ω     41.00  74.00   0.50    0.20    --   78.02-125.00 120.00   66
 16  ω     29.00  61.00   0.50    0.20    --   66.15 -95.00   0.00   64
 17  ω     40.00  72.00   0.50    0.20    --   78.02-125.00 -30.00   64
 18  ω     80.00 105.00   0.50    0.20    --   78.02-125.00 -90.00   50
 19  ω     46.00 105.00   0.50    0.20    --   78.02-125.00-120.00  118
 20  ω     29.00  71.00   0.50    0.20    --   66.15 -95.00-180.00   84
 21  ω     28.00  63.00   0.50    0.20    --   66.15 -95.00-120.00   70
 22  ω     29.00  54.00   0.50    0.20    --   66.15 -95.00  60.00   50
 23  ω     37.00  65.00   0.50    0.20    --   69.60 -95.00  60.00   56
 24  ω     32.00  78.00   0.50    0.20    --   69.60 -95.00 120.00   92
 25  ω     60.00  87.00   0.50    0.20    --   78.02 -95.00  90.00   54
 26  ω     62.00 117.00   0.50    0.20    --   78.02  15.00  30.00  110
 27  ω     48.00 123.00   0.50    0.20    --   78.02  15.00 120.00  150
 28  ω     45.00 122.00   0.50    0.20    --   78.02  18.00-131.00  154
 29  ω     89.00 116.00   0.50    0.20    --   69.60  18.00-131.00   54
 30  ω     61.00  86.00   0.50    0.20    --   66.15  18.00-131.00   50
 31  ω     42.00  69.00   0.50    0.20    --   69.60  18.00-131.00   54
 32  ω     72.00  97.00   0.50    0.20    --   78.02  15.00-120.00   50
 33  ω     49.00 123.00   0.50    0.20    --   78.02  15.00 -60.00  148
 34  ω     91.00 119.00   0.50    0.20    --   78.02  15.00 -30.00   56
 35  ω     67.00  94.00   0.50    0.20    --   78.02  15.00   0.00   54
 36  ω   -110.00 -34.00   0.50    0.20    --  -66.74 -18.00  60.00  152
 37  ω   -103.00 -73.00   0.50    0.20    --  -66.74   0.00  90.00   60
 38  ω   -103.00 -72.00   0.50    0.20    --  -66.74   0.00 150.00   62
 39  ω    -98.00 -42.00   0.50    0.20    --  -69.40 -18.00  60.00  112
 40  ω   -102.00 -73.00   0.50    0.20    --  -66.74   0.00 -60.00   58
 41  ω   -104.00 -74.00   0.50    0.20    --  -69.40   0.00 -60.00   60
 42  ω   -104.00 -73.00   0.50    0.20    --  -66.74   0.00-150.00   62
 43  ω   -104.00 -72.00   0.50    0.20    --  -66.74   0.00-180.00   64
 44  ω    -94.00 -43.00   0.50    0.20    --  -74.00 114.00-153.57  102
 45  ω   -114.00 -36.00   0.50    0.20    --  -74.00 148.00-120.68  156
 46  ω   -120.00 -88.00   0.50    0.20    --  -74.85 153.00  35.40   64
 47  ω   -108.00 -80.00   0.50    0.20    --  -74.85 141.00  56.79   56
 48  ω   -118.00 -58.00   0.50    0.20    --  -74.85 149.00 145.78  120
 49  ω    -64.00 -38.00   0.50    0.20    --  -74.85 141.00  56.79   52
 50  ω    -96.00 -27.00   0.50    0.20    --  -69.40 125.00 -30.00  138
 51  ω    -76.00 -26.00   0.50    0.20    --  -66.74 125.00 -90.00  100
 52  ω   -103.00 -73.00   0.50    0.20    --  -74.85 126.00-120.30   60
 53  ω    -74.00 -30.00   0.50    0.20    --  -66.74 125.00-150.00   88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0114325000
_diffrn_orient_matrix_UB_12      -0.0655483000
_diffrn_orient_matrix_UB_13      0.0304670000
_diffrn_orient_matrix_UB_21      -0.0081984000
_diffrn_orient_matrix_UB_22      -0.0018639000
_diffrn_orient_matrix_UB_23      -0.0532389000
_diffrn_orient_matrix_UB_31      0.0577651000
_diffrn_orient_matrix_UB_32      -0.0046705000
_diffrn_orient_matrix_UB_33      -0.0161848000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                42884
_reflns_number_total             60611
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         1.929
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.118
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2957
_refine_ls_number_reflns         60611
_refine_ls_number_restraints     5711
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0570
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0985P)²+10.4690P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1738
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C156-C274
 1.5 with sigma of 0.02
 C218-C156 = C274-C156 = C95-C276 = C95-C36 = C84-C66 = C84-C234 = C88-C107 =
 C88-C244 = C165-C142 = C280-C165 = C120-C118 = C224-C120 = C232-C194 = C194-
 C157 = C220-C11 = C181-C11 = C169-C134 = C242-C169 = C207-C103 = C34-C103 =
 C284-C167 = C167-C126 = C212-C124 = C264-C124 = C77-C252 = C92-C77 = C76-C214 =
  C214-C12 = C268-C177 = C260-C177 = C266-C193 = C193-C108 = C91-C213 = C91-C6 =
  C99-C104 = C99-C236 = C85-C198 = C198-C153 = C258-C152 = C282-C152 = C30-C166
 = C166-C14 = C190-C162 = C168-C162 = C210-C105 = C73-C210 = C80-C270 = C270-
 C201
 1.54 with sigma of 0.02
 C177-C260
 1.5 with sigma of 0.02
 C108-C193
 1.5 with sigma of 0.02
 C107-C88
 1.5 with sigma of 0.02
 C31-C259 = C247-C31 = C235-C247 = C235-C265 = C265-C33 = C259-C33
 1.39 with sigma of 0.02
 C235-C283 = C141-C283 = C141-C65 = C65-C123 = C247-C123 = C235-C247
 1.39 with sigma of 0.02
 C65-C123 = C251-C123 = C251-C267 = C267-C55 = C55-C221 = C65-C221
 1.39 with sigma of 0.02
 C233-C7 = C223-C7 = C285-C223 = C237-C285 = C237-C117 = C233-C117
 1.39 with sigma of 0.02
 C121-C119 = C275-C121 = C275-C239 = C129-C239 = C253-C129 = C253-C119
 1.39 with sigma of 0.02
 C59-C15
 1.39 with sigma of 0.02
 C125-C231 = C249-C125 = C249-C15 = C59-C29 = C29-C231 = C59-C15
 1.39 with sigma of 0.02
 C275-C243
 1.39 with sigma of 0.02
 C257-C269 \\sim C129-C257 \\sim C129-C239 \\sim C137-C239 \\sim C137-C269
 with sigma of 0.02
 C285-C223 \\sim C121-C119 \\sim C285-C119 \\sim C111-C223 \\sim C111-C121
 with sigma of 0.02
 C57-C67 \\sim C243-C241
 with sigma of 0.02
 C241-C131 \\sim C263-C57
 with sigma of 0.02
 C273-C243 \\sim C57-C275
 with sigma of 0.02
 C137-C275 \\sim C239-C273
 with sigma of 0.02
 C249-C15 \\sim C249-C31 \\sim C31-C259 \\sim C259-C63 \\sim C63-C15
 with sigma of 0.02
 C15-C29 \\sim C29-C125
 with sigma of 0.02
 C231-C249 \\sim C249-C59
 with sigma of 0.02
 C129-C275 \\sim C239-C121
 with sigma of 0.02
 C121-C253 \\sim C119-C129
 with sigma of 0.02
 C217-C255 \\sim C255-C245
 with sigma of 0.02
 C109-C2 \\sim C255-C217
 with sigma of 0.02
 C229-C219 \\sim C219-C139
 with sigma of 0.02
 C111-C275 \\sim C275-C67
 with sigma of 0.02
 C121-C227 \\sim C227-C243
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01 within 2A
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed X: C156(0.39155)
 Fixed Y: C156(0.352)
6.a Riding coordinates:
 C34(H34A,H34B,H34C)
6.b Ternary CH refined with riding coordinates:
 C11(H11), C77(H77), C84(H84), C88(H88), C91(H91), C95(H95), C99(H99),
 C103(H103), C120(H120), C124(H124), C152(H152), C156(H156), C162(H162),
 C165(H165), C166(H166), C167(H167), C169(H169), C177(H177), C193(H193),
 C198(H198), C210(H210), C214(H214), C270(H270)
6.c Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C28(H28A,H28B), C58(H58A,H58B), C72(H72A,H72B), C100(H10A,
 H10B), C110(H11A,H11B), C159(H15G,H15H), C192(H19D,H19E), C195(H19F,H19G),
 C199(H19H,H19I), C203(H20D,H20E), C205(H20F,H20G), C208(H20K,H20L), C209(H20M,
 H20N), C211(H21A,H21B), C216(H21I,H21J), C226(H22G,H22H), C228(H22I,H22J),
 C240(H24C,H24D), C248(H24K,H24L), C250(H25A,H25B), C272(H27A,H27B)
6.d Me refined with riding coordinates:
 C6(H6A,H6B,H6C), C36(H36A,H36B,H36C), C66(H66A,H66B,H66C), C76(H76A,H76B,
 H76C), C85(H85A,H85B,H85C), C92(H92A,H92B,H92C), C104(H10C,H10D,H10E),
 C105(H10F,H10G,H10H), C107(H10I,H10J,H10K), C108(H10L,H10M,H10N), C118(H11C,
 H11D,H11E), C126(H12D,H12E,H12F), C134(H13A,H13B,H13C), C142(H14D,H14E,H14F),
 C157(H15D,H15E,H15F), C190(H19A,H19B,H19C), C207(H20H,H20I,H20J), C212(H21C,
 H21D,H21E), C213(H21F,H21G,H21H), C224(H22D,H22E,H22F), C232(H23A,H23B,H23C),
 C234(H23D,H23E,H23F), C236(H23G,H23H,H23I), C242(H24E,H24F,H24G), C244(H24H,
 H24I,H24J), C252(H25C,H25D,H25E), C260(H26A,H26B,H26C), C264(H26D,H26E,H26F),
 C266(H26G,H26H,H26I), C268(H26J,H26K,H26L), C276(H27E,H27F,H27G), C280(H28C,
 H28D,H28E), C282(H28F,H28G,H28H)
6.e Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C8(H8), C13(H13), C18(H18), C19(H19), C20(H20), C21(H21),
 C22(H22), C39(H39), C42(H42), C45(H45), C47(H47), C48(H48), C49(H49), C51(H51),
  C52(H52), C60(H60), C64(H64), C68(H68), C83(H83), C87(H87), C89(H89),
 C93(H93), C96(H96), C97(H97), C101(H101), C112(H112), C140(H140), C143(H143),
 C144(H144), C145(H145), C147(H147), C148(H148), C149(H149), C151(H151),
 C155(H155), C160(H160), C161(H161), C163(H163), C164(H164), C171(H171),
 C172(H172), C173(H173), C176(H176), C179(H179), C180(H180), C183(H183),
 C184(H184), C185(H185), C186(H186), C187(H187), C188(H188), C189(H189),
 C191(H191), C196(H196), C197(H197), C200(H200), C202(H202), C204(H204),
 C222(H222), C256(H256)
6.f Fitted hexagon refined as free rotating group:
 C27(C217,C109,C219,C55,C221), C111(C223,C7,C225,C113,C227), C123(C247,C31,
 C249,C125,C251), C229(C115,C231,C29,C233,C117), C253(C127,C255,C2,C257,C129),
 C261(C131,C263,C33,C265,C133), C269(C135,C271,C17,C273,C137), C279(C35,C281,
 C141,C283,C71)
6.g X=CH2 refined with riding coordinates:
 C274(H27C,H27D)
6.h Idealised Me refined with riding coordinates:
 C258(H25F,H25G,H25H)
6.i Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C14(H14A,H14B,H14C), C30(H30A,H30B,H30C), C73(H73A,H73B,
 H73C), C80(H80A,H80B,H80C), C153(H15A,H15B,H15C), C168(H16A,H16B,H16C),
 C181(H18A,H18B,H18C), C201(H20A,H20B,H20C), C218(H21K,H21L,H21M), C220(H22A,
 H22B,H22C), C284(H28I,H28J,H28K)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.44664(2) 0.53654(2) 0.42338(2) 0.08518(11) Uani 1 1 d . U . . .
Au2 Au 0.35281(2) 0.50335(2) 0.52015(2) 0.08965(12) Uani 1 1 d . U . . .
Au3 Au 0.46761(2) 0.41042(2) 0.53427(2) 0.08488(11) Uani 1 1 d . U . . .
Au4 Au 0.05673(2) 0.42704(2) 0.36277(2) 0.08047(11) Uani 1 1 d . U . . .
Au5 Au 0.09248(2) 0.38431(2) 0.48982(2) 0.07992(11) Uani 1 1 d . U . . .
Au6 Au 0.09240(2) 0.28776(2) 0.44847(2) 0.08211(11) Uani 1 1 d . U . . .
Au7 Au 0.41914(2) 0.06248(2) 0.45388(2) 0.07819(10) Uani 1 1 d . U . . .
Au8 Au 0.48558(2) 0.11707(2) 0.33349(2) 0.07478(10) Uani 1 1 d . U . . .
Au9 Au 0.52601(2) 0.09890(2) 0.44983(2) 0.07433(10) Uani 1 1 d . U . . .
Au10 Au 0.39320(2) 0.46675(2) 0.07058(2) 0.07615(10) Uani 1 1 d . U . . .
Au11 Au 0.36085(2) 0.58331(2) 0.09143(2) 0.07798(11) Uani 1 1 d . U . . .
Au12 Au 0.26975(2) 0.54069(2) 0.06561(2) 0.08052(11) Uani 1 1 d . U . . .
N1 N 0.3773(3) 0.5914(4) 0.4141(3) 0.0950(16) Uani 1 1 d . U . . .
N2 N 0.3381(3) 0.5785(4) 0.4535(4) 0.1008(18) Uani 1 1 d . U . . .
N3 N 0.3648(3) 0.4286(4) 0.5854(3) 0.0962(16) Uani 1 1 d . U . . .
N4 N 0.4113(3) 0.3885(4) 0.5921(3) 0.0957(17) Uani 1 1 d . U . . .
N5 N 0.5226(3) 0.4286(3) 0.4753(3) 0.0859(14) Uani 1 1 d . U . . .
N6 N 0.5143(3) 0.4790(3) 0.4296(3) 0.0891(16) Uani 1 1 d . U . . .
N7 N 0.0565(3) 0.4857(3) 0.3869(3) 0.0849(14) Uani 1 1 d . U . . .
N8 N 0.0753(3) 0.4671(3) 0.4381(3) 0.0833(13) Uani 1 1 d . U . . .
N9 N 0.1117(3) 0.3018(3) 0.5420(3) 0.0873(14) Uani 1 1 d . U . . .
N10 N 0.1123(3) 0.2615(3) 0.5252(3) 0.0850(14) Uani 1 1 d . U . . .
N11 N 0.0760(3) 0.3132(4) 0.3704(3) 0.0902(16) Uani 1 1 d . U . . .
N12 N 0.0598(3) 0.3691(4) 0.3357(4) 0.0900(16) Uani 1 1 d . U . . .
N13 N 0.3950(3) 0.0731(3) 0.3846(3) 0.0836(14) Uani 1 1 d . U . . .
N14 N 0.4211(3) 0.0959(3) 0.3360(3) 0.0815(14) Uani 1 1 d . U . . .
N15 N 0.5485(2) 0.1412(3) 0.3301(3) 0.0757(13) Uani 1 1 d . U . . .
N16 N 0.5640(2) 0.1345(3) 0.3791(3) 0.0812(14) Uani 1 1 d . U . . .
N17 N 0.4862(3) 0.0693(3) 0.5204(3) 0.0773(13) Uani 1 1 d . U . . .
N18 N 0.4409(3) 0.0578(3) 0.5205(3) 0.0786(13) Uani 1 1 d . U . . .
N19 N 0.4465(2) 0.4893(3) 0.0904(3) 0.0745(13) Uani 1 1 d . U . . .
N20 N 0.4349(2) 0.5393(3) 0.0943(3) 0.0746(13) Uani 1 1 d . U . . .
N21 N 0.2867(3) 0.6244(3) 0.0939(3) 0.0871(14) Uani 1 1 d . U . . .
N22 N 0.2492(3) 0.6071(3) 0.0834(3) 0.0862(14) Uani 1 1 d . U . . .
N23 N 0.2889(3) 0.4714(3) 0.0520(3) 0.0838(14) Uani 1 1 d . U . . .
N24 N 0.3390(3) 0.4423(3) 0.0528(3) 0.0840(15) Uani 1 1 d . U . . .
N25 N 0.1435(4) 0.8939(4) 0.2303(5) 0.130(2) Uani 1 1 d . U . . .
N26 N 0.0234(4) 0.9264(4) 0.2341(5) 0.135(2) Uani 1 1 d . U . . .
N27 N 0.2551(4) 0.1618(4) 0.8690(4) 0.129(2) Uani 1 1 d . U . . .
N28 N 0.2945(5) 0.0282(5) 0.9210(4) 0.139(2) Uani 1 1 d . U . . .
N29 N 0.8100(4) 0.3319(5) 0.3116(4) 0.132(2) Uani 1 1 d . U . . .
N30 N 0.8503(3) 0.3741(5) 0.1907(5) 0.126(2) Uani 1 1 d . U . . .
N31 N 0.0187(4) 0.8277(4) 0.3446(5) 0.134(2) Uani 1 1 d . U . . .
N32 N 0.0650(4) 0.2565(4) 0.0873(4) 0.122(2) Uani 1 1 d . U . . .
N33 N 0.1285(4) 0.1459(4) 0.0792(4) 0.1149(18) Uani 1 1 d . U . . .
N34 N 0.2421(5) 0.0126(5) 0.8405(5) 0.147(3) Uani 1 1 d . U . . .
N35 N 0.1632(3) 0.0784(4) 0.2033(4) 0.115(2) Uani 1 1 d . U . . .
N36 N 0.8001(3) 0.2992(4) 0.1656(4) 0.112(2) Uani 1 1 d . U . . .
N37 N 0.2309(4) 0.1842(4) 0.0356(4) 0.1166(19) Uani 1 1 d . U . . .
N38 N 0.4021(4) 0.0272(5) 0.8542(4) 0.137(2) Uani 1 1 d . U . . .
N39 N 0.7569(3) 0.4756(5) 0.1465(4) 0.123(2) Uani 1 1 d . U . . .
N40 N 0.0237(4) 0.8536(5) 0.1724(5) 0.133(2) Uani 1 1 d . U . . .
C1 C 0.6133(3) 0.4896(4) 0.0924(4) 0.0864(18) Uani 1 1 d . U . . .
H1 H 0.610176 0.494948 0.056584 0.104 Uiso 1 1 calc R U . . .
C3 C 0.0782(3) 0.5141(4) 0.4409(4) 0.0875(15) Uani 1 1 d . U . . .
C4 C 0.3107(5) 0.2451(5) 0.7945(5) 0.116(2) Uani 1 1 d . U . . .
H4 H 0.312193 0.235475 0.831978 0.139 Uiso 1 1 calc R U . . .
C5 C 0.1934(4) 0.7989(5) 0.2714(5) 0.111(2) Uani 1 1 d . U . . .
C6 C 0.0887(4) 0.1473(5) 0.5562(6) 0.131(3) Uani 1 1 d D U . . .
H6A H 0.063284 0.158262 0.581309 0.197 Uiso 1 1 calc R U . . .
H6B H 0.076797 0.170026 0.518903 0.197 Uiso 1 1 calc R U . . .
H6C H 0.093343 0.107196 0.566274 0.197 Uiso 1 1 calc R U . . .
C8 C 0.3113(4) 0.2692(5) 0.6838(5) 0.104(2) Uani 1 1 d . U . . .
H8 H 0.311537 0.276204 0.646865 0.125 Uiso 1 1 calc R U . . .
C9 C 0.3299(4) 0.4013(5) 0.6257(5) 0.105(2) Uani 1 1 d . U . . .
C10 C 0.5710(3) 0.4871(4) 0.1274(4) 0.0830(16) Uani 1 1 d . U . . .
C11 C 0.0296(4) 0.5762(5) 0.3031(4) 0.101(2) Uani 1 1 d D U . . .
H11 H 0.022756 0.616349 0.296791 0.122 Uiso 1 1 calc R U . . .
C12 C 0.5622(4) 0.2922(5) 0.5064(5) 0.117(3) Uani 1 1 d D U . . .
H12A H 0.559158 0.303508 0.467637 0.176 Uiso 1 1 calc R U . . .
H12B H 0.528307 0.292597 0.524776 0.176 Uiso 1 1 calc R U . . .
H12C H 0.584734 0.254049 0.522932 0.176 Uiso 1 1 calc R U . . .
C13 C 0.2479(4) 0.2920(5) 0.0156(5) 0.109(2) Uani 1 1 d . U . . .
H13 H 0.236902 0.291791 -0.014941 0.130 Uiso 1 1 calc R U . . .
C14 C 0.4501(4) 0.5977(5) 0.1664(4) 0.100(3) Uani 1 1 d D U . . .
H14A H 0.451672 0.631409 0.168963 0.150 Uiso 1 1 calc R U . . .
H14B H 0.466311 0.563826 0.197868 0.150 Uiso 1 1 calc R U . . .
H14C H 0.414321 0.598418 0.166099 0.150 Uiso 1 1 calc R U . . .
C16 C 0.5179(3) 0.4987(4) 0.1107(4) 0.0785(14) Uani 1 1 d . U . . .
C18 C 0.7677(4) 0.3253(6) 0.3127(5) 0.119(2) Uani 1 1 d . U . . .
H18 H 0.764393 0.301676 0.297939 0.143 Uiso 1 1 calc R U . . .
C19 C 0.3952(4) 0.1146(5) 0.7091(4) 0.103(2) Uani 1 1 d . U . . .
H19 H 0.381271 0.149816 0.710754 0.124 Uiso 1 1 calc R U . . .
C20 C 0.6614(4) 0.4843(4) 0.1085(4) 0.0949(19) Uani 1 1 d . U . . .
H20 H 0.689273 0.488411 0.082527 0.114 Uiso 1 1 calc R U . . .
C21 C 0.4078(4) 0.1136(5) 0.6576(4) 0.102(2) Uani 1 1 d . U . . .
H21 H 0.401878 0.147896 0.625070 0.123 Uiso 1 1 calc R U . . .
C22 C 0.0472(4) 0.8042(6) 0.2027(6) 0.126(2) Uani 1 1 d . U . . .
H22 H 0.036767 0.787863 0.240162 0.151 Uiso 1 1 calc R U . . .
C23 C 0.6689(4) 0.4734(5) 0.1600(5) 0.0970(18) Uani 1 1 d . U . . .
C24 C 0.2680(5) 0.0653(6) 0.9463(5) 0.135(3) Uani 1 1 d . U . . .
H24A H 0.292520 0.079895 0.954692 0.162 Uiso 1 1 calc R U . . .
H24B H 0.249978 0.044710 0.980593 0.162 Uiso 1 1 calc R U . . .
C25 C 0.2165(4) 0.1094(5) 0.2375(5) 0.1071(19) Uani 1 1 d . U . . .
C26 C 0.4895(3) 0.0716(4) 0.5689(4) 0.0803(15) Uani 1 1 d . U . . .
C28 C 0.1133(4) 0.0926(6) 0.1768(5) 0.120(2) Uani 1 1 d . U . . .
H28A H 0.092742 0.066058 0.201462 0.144 Uiso 1 1 calc R U . . .
H28B H 0.093286 0.131371 0.170522 0.144 Uiso 1 1 calc R U . . .
C30 C 0.4606(4) 0.6534(4) 0.0636(4) 0.102(3) Uani 1 1 d D U . . .
H30A H 0.423412 0.662892 0.061474 0.153 Uiso 1 1 calc R U . . .
H30B H 0.477090 0.649842 0.030607 0.153 Uiso 1 1 calc R U . . .
H30C H 0.470048 0.683226 0.066634 0.153 Uiso 1 1 calc R U . . .
C32 C 0.5666(4) 0.3937(4) 0.4664(4) 0.0897(17) Uani 1 1 d . U . . .
C34 C 0.0562(4) 0.4942(5) 0.5403(4) 0.118(3) Uani 1 1 d D U . . .
H34A H 0.022659 0.520051 0.527975 0.177 Uiso 1 1 d R U . . .
H34B H 0.065259 0.496781 0.571565 0.177 Uiso 1 1 d R U . . .
H34C H 0.054989 0.455441 0.551075 0.177 Uiso 1 1 d R U . . .
C36 C 0.1763(5) 0.4315(6) 0.0974(5) 0.165(5) Uani 1 1 d D U . . .
H36A H 0.195795 0.419648 0.129203 0.247 Uiso 1 1 calc R U . . .
H36B H 0.142559 0.455803 0.100293 0.247 Uiso 1 1 calc R U . . .
H36C H 0.172211 0.398174 0.096104 0.247 Uiso 1 1 calc R U . . .
C37 C 0.1749(4) 0.1697(5) 0.6569(5) 0.0998(19) Uani 1 1 d . U . . .
C38 C 0.0917(4) 0.7697(6) 0.1814(6) 0.119(2) Uani 1 1 d . U . . .
C39 C 0.5783(4) 0.4758(4) 0.1816(4) 0.0935(19) Uani 1 1 d . U . . .
H39 H 0.550184 0.472802 0.207256 0.112 Uiso 1 1 calc R U . . .
C40 C 0.6035(3) 0.1585(4) 0.3679(4) 0.0865(16) Uani 1 1 d . U . . .
C41 C 0.2031(4) 0.6362(5) 0.0945(5) 0.0990(17) Uani 1 1 d . U . . .
C42 C 0.0117(4) 0.7155(5) 0.3734(5) 0.121(2) Uani 1 1 d . U . . .
H42 H -0.019883 0.741089 0.375162 0.145 Uiso 1 1 calc R U . . .
C43 C 0.3413(4) 0.3938(4) 0.0520(4) 0.0913(16) Uani 1 1 d . U . . .
C44 C 0.6509(3) 0.2155(4) 0.2798(4) 0.0836(16) Uani 1 1 d . U . . .
C45 C 0.7540(4) 0.3202(5) 0.1779(4) 0.098(2) Uani 1 1 d . U . . .
H45 H 0.741577 0.359983 0.164259 0.118 Uiso 1 1 calc R U . . .
C46 C 0.4975(3) 0.4632(4) 0.1006(3) 0.0764(14) Uani 1 1 d . U . . .
C47 C 0.1217(4) 0.3105(5) 0.2074(5) 0.105(2) Uani 1 1 d . U . . .
H47 H 0.147485 0.322114 0.214919 0.126 Uiso 1 1 calc R U . . .
C48 C 0.0563(5) 0.7906(5) 0.3493(6) 0.124(2) Uani 1 1 d . U . . .
H48 H 0.088367 0.798427 0.345745 0.149 Uiso 1 1 calc R U . . .
C49 C 0.1292(4) 0.2967(5) 0.1627(5) 0.112(2) Uani 1 1 d . U . . .
H49 H 0.159913 0.298869 0.140954 0.134 Uiso 1 1 calc R U . . .
C50 C 0.5853(4) 0.4225(4) 0.4129(4) 0.0878(16) Uani 1 1 d . U . . .
C51 C 0.1491(4) 0.1410(5) 0.7059(5) 0.118(3) Uani 1 1 d . U . . .
H51 H 0.112915 0.149248 0.708259 0.141 Uiso 1 1 calc R U . . .
C52 C 0.2769(4) 0.2952(5) 0.1034(5) 0.103(2) Uani 1 1 d . U . . .
H52 H 0.285859 0.296701 0.134137 0.123 Uiso 1 1 calc R U . . .
C53 C 0.2642(4) 0.6635(5) 0.1117(5) 0.0992(17) Uani 1 1 d . U . . .
C54 C 0.4449(3) 0.0601(4) 0.6010(4) 0.0816(15) Uani 1 1 d . U . . .
C56 C 0.7210(4) 0.3531(5) 0.3365(5) 0.111(2) Uani 1 1 d . U . . .
C58 C 0.3873(5) 0.0368(6) 0.9059(5) 0.139(3) Uani 1 1 d . U . . .
H58A H 0.417751 0.023853 0.927407 0.167 Uiso 1 1 calc R U . . .
H58B H 0.372018 0.077469 0.896050 0.167 Uiso 1 1 calc R U . . .
C60 C 0.2884(4) 0.2273(5) 0.7253(4) 0.107(2) Uani 1 1 d . U . . .
H60 H 0.273156 0.206629 0.715686 0.128 Uiso 1 1 calc R U . . .
C62 C 0.1314(4) 0.2744(5) 0.5915(4) 0.0909(16) Uani 1 1 d . U . . .
C64 C 0.2276(4) 0.1542(5) 0.6538(5) 0.105(2) Uani 1 1 d . U . . .
H64 H 0.245413 0.172737 0.620776 0.125 Uiso 1 1 calc R U . . .
C66 C 0.3783(5) 0.1786(5) 0.1994(5) 0.141(4) Uani 1 1 d D U . . .
H66A H 0.368168 0.207653 0.212640 0.212 Uiso 1 1 calc R U . . .
H66B H 0.393932 0.193687 0.162562 0.212 Uiso 1 1 calc R U . . .
H66C H 0.348136 0.167257 0.198476 0.212 Uiso 1 1 calc R U . . .
C68 C 0.6326(4) 0.3663(5) 0.3623(4) 0.1020(19) Uani 1 1 d . U . . .
H68 H 0.600787 0.359327 0.362788 0.122 Uiso 1 1 calc R U . . .
C70 C 0.3463(4) 0.0916(5) 0.3166(4) 0.0937(17) Uani 1 1 d . U . . .
C72 C 0.8712(4) 0.3369(6) 0.1602(5) 0.125(2) Uani 1 1 d . U . . .
H72A H 0.899925 0.349356 0.135064 0.150 Uiso 1 1 calc R U . . .
H72B H 0.884161 0.297148 0.186684 0.150 Uiso 1 1 calc R U . . .
C73 C 0.5255(4) 0.1510(4) 0.5551(4) 0.099(3) Uani 1 1 d D U . . .
H73A H 0.496166 0.165030 0.575215 0.149 Uiso 1 1 calc R U . . .
H73B H 0.518517 0.169894 0.516240 0.149 Uiso 1 1 calc R U . . .
H73C H 0.555942 0.159062 0.560421 0.149 Uiso 1 1 calc R U . . .
C74 C 0.4073(4) 0.3400(5) 0.6310(4) 0.0997(19) Uani 1 1 d . U . . .
C75 C 0.1439(4) 0.2169(4) 0.6071(4) 0.0913(17) Uani 1 1 d . U . . .
C76 C 0.6407(4) 0.3125(5) 0.5210(5) 0.125(3) Uani 1 1 d D U . . .
H76A H 0.652611 0.340689 0.524406 0.187 Uiso 1 1 calc R U . . .
H76B H 0.647595 0.277008 0.554379 0.187 Uiso 1 1 calc R U . . .
H76C H 0.658743 0.305942 0.489878 0.187 Uiso 1 1 calc R U . . .
C77 C 0.5518(4) 0.5266(5) 0.3377(4) 0.110(2) Uani 1 1 d D U . . .
H77 H 0.528539 0.559280 0.343549 0.132 Uiso 1 1 calc R U . . .
C78 C 0.4293(4) 0.0616(4) 0.6548(4) 0.0910(17) Uani 1 1 d . U . . .
C79 C 0.6338(4) 0.3989(5) 0.3864(4) 0.0970(17) Uani 1 1 d . U . . .
C80 C 0.3575(4) -0.0123(5) 0.6389(5) 0.133(4) Uani 1 1 d D U . . .
H80A H 0.336809 0.004272 0.662763 0.200 Uiso 1 1 calc R U . . .
H80B H 0.390663 -0.035346 0.654844 0.200 Uiso 1 1 calc R U . . .
H80C H 0.339763 -0.036139 0.635040 0.200 Uiso 1 1 calc R U . . .
C81 C 0.2509(4) 0.2446(5) 0.0668(5) 0.1068(18) Uani 1 1 d . U . . .
C82 C 0.0712(4) 0.3212(5) 0.2869(5) 0.0943(16) Uani 1 1 d . U . . .
C83 C 0.2404(4) 0.1915(5) 0.0754(5) 0.110(2) Uani 1 1 d . U . . .
H83 H 0.240576 0.162079 0.111366 0.132 Uiso 1 1 calc R U . . .
C84 C 0.4164(4) 0.1279(5) 0.2370(4) 0.111(2) Uani 1 1 d D U . . .
H84 H 0.447440 0.139902 0.236206 0.133 Uiso 1 1 calc R U . . .
C85 C 0.5211(3) 0.2266(5) 0.2069(4) 0.103(3) Uani 1 1 d D U . . .
H85A H 0.521066 0.234969 0.168443 0.155 Uiso 1 1 calc R U . . .
H85B H 0.493949 0.208015 0.227335 0.155 Uiso 1 1 calc R U . . .
H85C H 0.515269 0.261843 0.210040 0.155 Uiso 1 1 calc R U . . .
C86 C 0.5517(4) 0.4763(5) 0.3914(4) 0.0917(17) Uani 1 1 d . U . . .
C87 C 0.4374(4) 0.0135(5) 0.7032(4) 0.101(2) Uani 1 1 d . U . . .
H87 H 0.451563 -0.022126 0.702463 0.121 Uiso 1 1 calc R U . . .
C88 C 0.3093(4) 0.0499(5) 0.4170(5) 0.114(2) Uani 1 1 d D U . . .
H88 H 0.332431 0.041368 0.445627 0.136 Uiso 1 1 calc R U . . .
C89 C 0.1566(4) 0.8447(5) 0.2328(5) 0.117(2) Uani 1 1 d . U . . .
H89 H 0.142016 0.837595 0.208903 0.140 Uiso 1 1 calc R U . . .
C90 C 0.4777(3) 0.5465(4) 0.1071(4) 0.0796(15) Uani 1 1 d . U . . .
C91 C 0.1374(4) 0.1567(5) 0.5593(5) 0.109(2) Uani 1 1 d D U . . .
H91 H 0.148101 0.126895 0.596549 0.130 Uiso 1 1 calc R U . . .
C92 C 0.5265(5) 0.5232(6) 0.2950(4) 0.125(3) Uani 1 1 d D U . . .
H92A H 0.527037 0.556571 0.260194 0.187 Uiso 1 1 calc R U . . .
H92B H 0.545035 0.489078 0.290458 0.187 Uiso 1 1 calc R U . . .
H92C H 0.490997 0.521832 0.306904 0.187 Uiso 1 1 calc R U . . .
C93 C 0.7012(3) 0.1941(5) 0.2670(4) 0.101(2) Uani 1 1 d . U . . .
H93 H 0.713238 0.154227 0.281385 0.121 Uiso 1 1 calc R U . . .
C94 C 0.3951(4) 0.1051(4) 0.2948(4) 0.0925(17) Uani 1 1 d . U . . .
C95 C 0.2037(4) 0.4631(5) 0.0475(4) 0.108(2) Uani 1 1 d D U . . .
H95 H 0.198963 0.498602 0.051085 0.129 Uiso 1 1 calc R U . . .
C96 C 0.1012(4) 0.6928(5) 0.3595(5) 0.118(2) Uani 1 1 d . U . . .
H96 H 0.132487 0.703435 0.351632 0.142 Uiso 1 1 calc R U . . .
C97 C 0.0996(5) 0.2678(5) 0.1013(5) 0.117(2) Uani 1 1 d . U . . .
H97 H 0.131131 0.268742 0.080780 0.140 Uiso 1 1 calc R U . . .
C98 C 0.6135(3) 0.1840(4) 0.3097(4) 0.0869(16) Uani 1 1 d . U . . .
C99 C 0.1370(4) 0.3091(5) 0.6197(4) 0.102(2) Uani 1 1 d D U . . .
H99 H 0.115388 0.348479 0.600533 0.122 Uiso 1 1 calc R U . . .
C100 C 0.2289(5) 0.1151(5) 0.9047(5) 0.131(3) Uani 1 1 d . U . . .
H10A H 0.217311 0.101943 0.882007 0.158 Uiso 1 1 calc R U . . .
H10B H 0.198699 0.129180 0.924374 0.158 Uiso 1 1 calc R U . . .
C101 C 0.4250(4) 0.0157(5) 0.7538(4) 0.108(2) Uani 1 1 d . U . . .
H101 H 0.432205 -0.017925 0.786742 0.130 Uiso 1 1 calc R U . . .
C102 C 0.5774(3) 0.1718(4) 0.2888(4) 0.0837(16) Uani 1 1 d . U . . .
C103 C 0.0959(3) 0.5103(4) 0.4941(4) 0.0928(19) Uani 1 1 d D U . . .
H103 H 0.096306 0.549504 0.485535 0.111 Uiso 1 1 calc R U . . .
C104 C 0.1919(4) 0.3118(5) 0.6145(5) 0.127(3) Uani 1 1 d D U . . .
H10C H 0.195055 0.333872 0.632522 0.190 Uiso 1 1 calc R U . . .
H10D H 0.213982 0.273433 0.631734 0.190 Uiso 1 1 calc R U . . .
H10E H 0.202162 0.329750 0.575845 0.190 Uiso 1 1 calc R U . . .
C105 C 0.5516(4) 0.0561(4) 0.6352(4) 0.102(3) Uani 1 1 d D U . . .
H10F H 0.580770 0.067974 0.637757 0.153 Uiso 1 1 calc R U . . .
H10G H 0.523353 0.065004 0.659227 0.153 Uiso 1 1 calc R U . . .
H10H H 0.561518 0.015353 0.646236 0.153 Uiso 1 1 calc R U . . .
C106 C 0.0615(3) 0.5609(4) 0.3942(4) 0.0881(16) Uani 1 1 d . U . . .
C107 C 0.3135(6) -0.0107(5) 0.4378(7) 0.188(5) Uani 1 1 d D U . . .
H10I H 0.342542 -0.027062 0.419196 0.282 Uiso 1 1 calc R U . . .
H10J H 0.318802 -0.029598 0.477089 0.282 Uiso 1 1 calc R U . . .
H10K H 0.282052 -0.015741 0.431006 0.282 Uiso 1 1 calc R U . . .
C108 C 0.2416(5) 0.4277(7) 0.6053(6) 0.167(4) Uani 1 1 d D U . . .
H10L H 0.207339 0.450387 0.609284 0.250 Uiso 1 1 calc R U . . .
H10M H 0.251278 0.439642 0.566483 0.250 Uiso 1 1 calc R U . . .
H10N H 0.241560 0.387708 0.622389 0.250 Uiso 1 1 calc R U . . .
C110 C 0.0580(5) 0.9635(5) 0.2119(6) 0.138(3) Uani 1 1 d . U . . .
H11A H 0.067367 0.969115 0.241529 0.166 Uiso 1 1 calc R U . . .
H11B H 0.040232 1.000882 0.184331 0.166 Uiso 1 1 calc R U . . .
C112 C 0.1025(4) 0.6399(5) 0.3692(5) 0.110(2) Uani 1 1 d . U . . .
H112 H 0.134439 0.615488 0.366017 0.132 Uiso 1 1 calc R U . . .
C114 C 0.0559(4) 0.3743(5) 0.2868(5) 0.0949(17) Uani 1 1 d . U . . .
C116 C 0.2878(4) 0.2164(5) 0.7784(5) 0.110(2) Uani 1 1 d . U . . .
C118 C 0.0800(4) 0.4580(5) 0.2008(6) 0.143(4) Uani 1 1 d D U . . .
H11C H 0.065078 0.495306 0.172155 0.214 Uiso 1 1 calc R U . . .
H11D H 0.103224 0.461393 0.221460 0.214 Uiso 1 1 calc R U . . .
H11E H 0.098895 0.432703 0.184276 0.214 Uiso 1 1 calc R U . . .
C120 C 0.0360(4) 0.4331(5) 0.2404(5) 0.110(2) Uani 1 1 d D U . . .
H120 H 0.020439 0.458614 0.258420 0.132 Uiso 1 1 calc R U . . .
C122 C 0.4154(3) 0.0513(4) 0.5696(4) 0.0860(16) Uani 1 1 d . U . . .
C124 C 0.2451(4) 0.6149(5) 0.4669(5) 0.123(2) Uani 1 1 d D U . . .
H124 H 0.258213 0.579869 0.500469 0.148 Uiso 1 1 calc R U . . .
C126 C 0.3957(5) 0.6388(6) 0.2814(5) 0.136(3) Uani 1 1 d D U . . .
H12D H 0.369905 0.617869 0.289863 0.205 Uiso 1 1 calc R U . . .
H12E H 0.392172 0.668598 0.243877 0.205 Uiso 1 1 calc R U . . .
H12F H 0.429866 0.612952 0.285151 0.205 Uiso 1 1 calc R U . . .
C128 C 0.2766(4) 0.3405(5) 0.0542(5) 0.0972(17) Uani 1 1 d . U . . .
C130 C 0.0916(4) 0.2800(5) 0.1505(5) 0.1093(19) Uani 1 1 d . U . . .
C132 C 0.0559(4) 0.7326(5) 0.3605(6) 0.117(2) Uani 1 1 d . U . . .
C134 C 0.2989(6) 0.7466(6) 0.0832(6) 0.156(4) Uani 1 1 d D U . . .
H13A H 0.320090 0.761131 0.095545 0.235 Uiso 1 1 calc R U . . .
H13B H 0.314198 0.743868 0.049536 0.235 Uiso 1 1 calc R U . . .
H13C H 0.264548 0.772317 0.076237 0.235 Uiso 1 1 calc R U . . .
C136 C 0.3334(4) 0.2997(5) 0.6976(5) 0.1057(19) Uani 1 1 d . U . . .
C138 C 0.0486(3) 0.5422(4) 0.3620(4) 0.0887(16) Uani 1 1 d . U . . .
C140 C 0.2634(5) 0.0375(6) 0.7954(5) 0.130(3) Uani 1 1 d . U . . .
H140 H 0.299492 0.026796 0.790814 0.156 Uiso 1 1 calc R U . . .
C142 C 0.1508(5) 0.1934(6) 0.3536(7) 0.181(5) Uani 1 1 d D U . . .
H14D H 0.170764 0.221626 0.337422 0.271 Uiso 1 1 calc R U . . .
H14E H 0.166449 0.162453 0.387139 0.271 Uiso 1 1 calc R U . . .
H14F H 0.150263 0.178620 0.327722 0.271 Uiso 1 1 calc R U . . .
C143 C 0.1674(4) 0.1177(5) 0.2112(5) 0.110(2) Uani 1 1 d . U . . .
H143 H 0.141227 0.151932 0.201443 0.132 Uiso 1 1 calc R U . . .
C144 C 0.2615(4) 0.3402(5) 0.0101(5) 0.106(2) Uani 1 1 d . U . . .
H144 H 0.260051 0.372043 -0.024366 0.127 Uiso 1 1 calc R U . . .
C145 C 0.3002(4) 0.0566(5) 0.2729(5) 0.108(2) Uani 1 1 d . U . . .
H145 H 0.327718 0.023712 0.280668 0.129 Uiso 1 1 calc R U . . .
C146 C 0.0825(4) 0.2839(5) 0.3416(5) 0.0975(17) Uani 1 1 d . U . . .
C147 C 0.1498(4) 0.6854(5) 0.1870(5) 0.115(2) Uani 1 1 d . U . . .
H147 H 0.163578 0.646524 0.209663 0.138 Uiso 1 1 calc R U . . .
C148 C 0.6808(4) 0.4072(5) 0.3848(5) 0.105(2) Uani 1 1 d . U . . .
H148 H 0.683425 0.429514 0.401519 0.126 Uiso 1 1 calc R U . . .
C149 C 0.7231(4) 0.3862(5) 0.3614(5) 0.109(2) Uani 1 1 d . U . . .
H149 H 0.754458 0.393748 0.361733 0.131 Uiso 1 1 calc R U . . .
C150 C 0.3491(4) 0.0702(5) 0.3735(4) 0.0949(17) Uani 1 1 d . U . . .
C151 C 0.3919(5) 0.0711(6) 0.8104(5) 0.123(2) Uani 1 1 d . U . . .
H151 H 0.377619 0.106801 0.810948 0.148 Uiso 1 1 calc R U . . .
C152 C 0.6302(4) 0.1534(5) 0.4143(5) 0.104(2) Uani 1 1 d D U . . .
H152 H 0.613502 0.129209 0.448425 0.125 Uiso 1 1 calc R U . . .
C153 C 0.5879(4) 0.1342(4) 0.2188(4) 0.105(3) Uani 1 1 d D U . . .
H15A H 0.566411 0.108661 0.241895 0.157 Uiso 1 1 calc R U . . .
H15B H 0.623839 0.114625 0.227194 0.157 Uiso 1 1 calc R U . . .
H15C H 0.583150 0.145719 0.180397 0.157 Uiso 1 1 calc R U . . .
C154 C 0.3030(4) 0.0968(5) 0.2885(5) 0.0989(18) Uani 1 1 d . U . . .
C155 C 0.2589(5) 0.1730(5) 0.8181(5) 0.116(2) Uani 1 1 d . U . . .
H155 H 0.243975 0.154496 0.805354 0.140 Uiso 1 1 calc R U . . .
C156 C 0.391550 0.352000 0.0514(4) 0.109(2) Uani 1 1 d D U . . .
H156 H 0.410976 0.379591 0.045720 0.131 Uiso 1 1 calc R U . . .
C157 C 0.1419(4) 0.5753(5) 0.1268(5) 0.134(4) Uani 1 1 d D U . . .
H15D H 0.108851 0.574136 0.119248 0.201 Uiso 1 1 calc R U . . .
H15E H 0.168713 0.543939 0.123734 0.201 Uiso 1 1 calc R U . . .
H15F H 0.140544 0.572048 0.163728 0.201 Uiso 1 1 calc R U . . .
C158 C 0.2604(3) 0.4415(4) 0.0493(4) 0.0889(16) Uani 1 1 d . U . . .
C159 C 0.8298(4) 0.3409(6) 0.1281(5) 0.120(2) Uani 1 1 d . U . . .
H15G H 0.807012 0.379618 0.113660 0.143 Uiso 1 1 calc R U . . .
H15H H 0.845235 0.332241 0.097058 0.143 Uiso 1 1 calc R U . . .
C160 C 0.0128(4) 0.6598(5) 0.3840(5) 0.117(2) Uani 1 1 d . U . . .
H160 H -0.018313 0.649037 0.391505 0.140 Uiso 1 1 calc R U . . .
C161 C 0.2140(4) 0.8046(5) 0.3116(5) 0.116(2) Uani 1 1 d . U . . .
H161 H 0.204136 0.839597 0.313749 0.139 Uiso 1 1 calc R U . . .
C162 C 0.5197(3) 0.4059(4) 0.1003(4) 0.0864(18) Uani 1 1 d D U . . .
H162 H 0.490178 0.388857 0.109109 0.104 Uiso 1 1 calc R U . . .
C163 C 0.6738(4) 0.3425(5) 0.3372(5) 0.108(2) Uani 1 1 d . U . . .
H163 H 0.670650 0.319881 0.321152 0.129 Uiso 1 1 calc R U . . .
C164 C 0.2573(4) 0.0631(5) 0.2455(5) 0.107(2) Uani 1 1 d . U . . .
H164 H 0.257026 0.036259 0.233291 0.128 Uiso 1 1 calc R U . . .
C165 C 0.0977(4) 0.2202(5) 0.3664(6) 0.120(2) Uani 1 1 d D U . . .
H165 H 0.106443 0.215946 0.401948 0.144 Uiso 1 1 calc R U . . .
C166 C 0.4781(3) 0.5969(4) 0.1139(4) 0.0850(18) Uani 1 1 d D U . . .
H166 H 0.514756 0.593020 0.117938 0.102 Uiso 1 1 calc R U . . .
C167 C 0.3881(5) 0.6654(6) 0.3208(5) 0.127(3) Uani 1 1 d D U . . .
H167 H 0.359146 0.697929 0.301182 0.152 Uiso 1 1 calc R U . . .
C168 C 0.5565(4) 0.3659(4) 0.1451(4) 0.103(3) Uani 1 1 d D U . . .
H16A H 0.558118 0.326830 0.153670 0.155 Uiso 1 1 calc R U . . .
H16B H 0.544860 0.372231 0.177715 0.155 Uiso 1 1 calc R U . . .
H16C H 0.590574 0.372525 0.133128 0.155 Uiso 1 1 calc R U . . .
C169 C 0.2954(5) 0.6899(5) 0.1258(5) 0.114(2) Uani 1 1 d D U . . .
H169 H 0.330742 0.666265 0.123895 0.137 Uiso 1 1 calc R U . . .
C170 C 0.3044(4) 0.6564(5) 0.3829(5) 0.1029(19) Uani 1 1 d . U . . .
C171 C 0.0476(4) 0.2745(5) 0.1848(5) 0.109(2) Uani 1 1 d . U . . .
H171 H 0.022291 0.261230 0.178799 0.130 Uiso 1 1 calc R U . . .
C172 C 0.2192(4) 0.1496(5) 0.2498(5) 0.109(2) Uani 1 1 d . U . . .
H172 H 0.191835 0.182772 0.240882 0.131 Uiso 1 1 calc R U . . .
C173 C 0.7179(4) 0.4686(5) 0.1783(5) 0.109(2) Uani 1 1 d . U . . .
H173 H 0.720459 0.459861 0.215345 0.131 Uiso 1 1 calc R U . . .
C174 C 0.1325(4) 0.2106(5) 0.5648(4) 0.0930(17) Uani 1 1 d . U . . .
C175 C 0.2309(5) 0.0858(5) 0.7467(5) 0.115(2) Uani 1 1 d . U . . .
C176 C 0.2442(4) 0.7022(5) 0.3058(5) 0.107(2) Uani 1 1 d . U . . .
H176 H 0.253441 0.667396 0.303256 0.128 Uiso 1 1 calc R U . . .
C177 C 0.4528(5) 0.2872(5) 0.6490(4) 0.116(2) Uani 1 1 d D U . . .
H177 H 0.482921 0.302562 0.629767 0.139 Uiso 1 1 calc R U . . .
C178 C 0.2946(4) 0.6187(5) 0.4340(5) 0.106(2) Uani 1 1 d . U . . .
C179 C 0.2491(4) 0.7583(5) 0.3480(5) 0.117(2) Uani 1 1 d . U . . .
H179 H 0.261882 0.762018 0.375483 0.141 Uiso 1 1 calc R U . . .
C180 C 0.2607(4) 0.1445(5) 0.2750(5) 0.107(2) Uani 1 1 d . U . . .
H180 H 0.260812 0.173969 0.283572 0.128 Uiso 1 1 calc R U . . .
C181 C -0.0232(4) 0.5717(5) 0.2968(5) 0.124(3) Uani 1 1 d D U . . .
H18A H -0.020188 0.533968 0.300278 0.186 Uiso 1 1 calc R U . . .
H18B H -0.035863 0.600185 0.260810 0.186 Uiso 1 1 calc R U . . .
H18C H -0.047123 0.578108 0.325161 0.186 Uiso 1 1 calc R U . . .
C182 C 0.3570(4) 0.6395(5) 0.3710(5) 0.108(2) Uani 1 1 d . U . . .
C183 C 0.6269(4) 0.4689(5) 0.1978(4) 0.0974(19) Uani 1 1 d . U . . .
H183 H 0.631226 0.461239 0.234093 0.117 Uiso 1 1 calc R U . . .
C184 C 0.0419(4) 0.2887(5) 0.2276(5) 0.1053(19) Uani 1 1 d . U . . .
H184 H 0.011556 0.285625 0.250015 0.126 Uiso 1 1 calc R U . . .
C185 C 0.1091(4) 0.7163(5) 0.2080(5) 0.115(2) Uani 1 1 d . U . . .
H185 H 0.094105 0.697026 0.242734 0.138 Uiso 1 1 calc R U . . .
C186 C 0.6360(3) 0.2759(4) 0.2530(4) 0.0885(19) Uani 1 1 d . U . . .
H186 H 0.601542 0.294857 0.257214 0.106 Uiso 1 1 calc R U . . .
C187 C 0.3316(4) 0.2888(5) 0.7535(5) 0.115(2) Uani 1 1 d . U . . .
H187 H 0.344510 0.311088 0.763315 0.137 Uiso 1 1 calc R U . . .
C188 C 0.1508(4) 0.7650(5) 0.1047(6) 0.124(3) Uani 1 1 d . U . . .
H188 H 0.163260 0.782836 0.068269 0.149 Uiso 1 1 calc R U . . .
C189 C 0.1100(4) 0.7967(5) 0.1294(6) 0.125(3) Uani 1 1 d . U . . .
H189 H 0.096395 0.836112 0.108942 0.150 Uiso 1 1 calc R U . . .
C190 C 0.5377(4) 0.4143(4) 0.0419(4) 0.096(3) Uani 1 1 d D U . . .
H19A H 0.510415 0.441115 0.016910 0.145 Uiso 1 1 calc R U . . .
H19B H 0.568029 0.429119 0.031366 0.145 Uiso 1 1 calc R U . . .
H19C H 0.546241 0.378009 0.040164 0.145 Uiso 1 1 calc R U . . .
C191 C 0.2097(4) 0.7481(5) 0.2713(5) 0.108(2) Uani 1 1 d . U . . .
H191 H 0.196204 0.743350 0.244878 0.130 Uiso 1 1 calc R U . . .
C192 C 0.8774(4) 0.3472(6) 0.2426(5) 0.128(3) Uani 1 1 d . U . . .
H19D H 0.913728 0.330343 0.236214 0.154 Uiso 1 1 calc R U . . .
H19E H 0.875965 0.376732 0.253997 0.154 Uiso 1 1 calc R U . . .
C193 C 0.2786(5) 0.4357(6) 0.6320(5) 0.132(3) Uani 1 1 d D U . . .
H193 H 0.283220 0.471699 0.600601 0.158 Uiso 1 1 calc R U . . .
C194 C 0.1533(4) 0.6302(5) 0.0864(5) 0.108(2) Uani 1 1 d D U . . .
C195 C 0.1245(5) 0.0887(5) 0.1239(5) 0.118(2) Uani 1 1 d . U . . .
H19F H 0.096873 0.077272 0.116475 0.142 Uiso 1 1 calc R U . . .
H19G H 0.157011 0.059927 0.125436 0.142 Uiso 1 1 calc R U . . .
C196 C 0.2650(4) 0.2477(5) 0.1111(5) 0.108(2) Uani 1 1 d . U . . .
H196 H 0.266264 0.216931 0.146340 0.129 Uiso 1 1 calc R U . . .
C197 C 0.1776(5) 0.1006(5) 0.7504(5) 0.120(3) Uani 1 1 d . U . . .
H197 H 0.160546 0.082451 0.784128 0.144 Uiso 1 1 calc R U . . .
C198 C 0.5725(3) 0.1877(4) 0.2300(4) 0.0883(19) Uani 1 1 d D U . . .
H198 H 0.598376 0.209615 0.209271 0.106 Uiso 1 1 calc R U . . .
C199 C 0.0807(5) 0.1830(5) 0.0561(5) 0.120(2) Uani 1 1 d . U . . .
H19H H 0.052811 0.171938 0.083403 0.144 Uiso 1 1 calc R U . . .
H19I H 0.075669 0.177991 0.024295 0.144 Uiso 1 1 calc R U . . .
C200 C 0.3493(6) 0.0035(6) 0.9381(5) 0.146(3) Uani 1 1 d . U . . .
H200 H 0.359317 -0.032225 0.968390 0.175 Uiso 1 1 calc R U . . .
C201 C 0.3220(4) 0.0871(5) 0.5697(5) 0.137(4) Uani 1 1 d D U . . .
H20A H 0.289463 0.077475 0.574993 0.205 Uiso 1 1 calc R U . . .
H20B H 0.326370 0.113817 0.531637 0.205 Uiso 1 1 calc R U . . .
H20C H 0.322209 0.104485 0.593551 0.205 Uiso 1 1 calc R U . . .
C202 C 0.7361(4) 0.2256(5) 0.2351(4) 0.101(2) Uani 1 1 d . U . . .
H202 H 0.770290 0.207537 0.228648 0.122 Uiso 1 1 calc R U . . .
C203 C 0.2212(5) 0.1294(5) 0.0483(5) 0.119(2) Uani 1 1 d . U . . .
H20D H 0.226081 0.103620 0.087439 0.142 Uiso 1 1 calc R U . . .
H20E H 0.245541 0.111466 0.026775 0.142 Uiso 1 1 calc R U . . .
C204 C 0.2542(4) 0.1128(5) 0.6979(5) 0.111(2) Uani 1 1 d . U . . .
H204 H 0.290389 0.102164 0.694527 0.133 Uiso 1 1 calc R U . . .
C205 C -0.0068(5) 0.9276(5) 0.2825(6) 0.137(3) Uani 1 1 d . U . . .
H20F H -0.039302 0.918168 0.284739 0.165 Uiso 1 1 calc R U . . .
H20G H -0.014901 0.965860 0.280707 0.165 Uiso 1 1 calc R U . . .
C206 C 0.3552(4) 0.3466(5) 0.6539(4) 0.0976(18) Uani 1 1 d . U . . .
C207 C 0.1479(4) 0.4749(5) 0.5100(5) 0.111(3) Uani 1 1 d D U . . .
H20H H 0.171938 0.486927 0.478893 0.166 Uiso 1 1 calc R U . . .
H20I H 0.157472 0.478826 0.540227 0.166 Uiso 1 1 calc R U . . .
H20J H 0.148980 0.435269 0.521570 0.166 Uiso 1 1 calc R U . . .
C208 C 0.8557(4) 0.3039(6) 0.2864(6) 0.140(3) Uani 1 1 d . U . . .
H20K H 0.881410 0.277589 0.314179 0.167 Uiso 1 1 calc R U . . .
H20L H 0.845283 0.281940 0.271897 0.167 Uiso 1 1 calc R U . . .
C209 C 0.0767(5) 0.2446(5) 0.0381(5) 0.124(2) Uani 1 1 d . U . . .
H20M H 0.109219 0.253564 0.019844 0.149 Uiso 1 1 calc R U . . .
H20N H 0.049181 0.268435 0.011809 0.149 Uiso 1 1 calc R U . . .
C210 C 0.5344(3) 0.0875(4) 0.5762(4) 0.0847(18) Uani 1 1 d D U . . .
H210 H 0.563493 0.075486 0.553555 0.102 Uiso 1 1 calc R U . . .
C211 C 0.8491(4) 0.4330(6) 0.1560(6) 0.132(3) Uani 1 1 d . U . . .
H21A H 0.880105 0.440884 0.161112 0.159 Uiso 1 1 calc R U . . .
H21B H 0.849009 0.440760 0.117377 0.159 Uiso 1 1 calc R U . . .
C212 C 0.2251(5) 0.6547(6) 0.4914(6) 0.152(4) Uani 1 1 d D U . . .
H21C H 0.253612 0.664067 0.499134 0.227 Uiso 1 1 calc R U . . .
H21D H 0.202604 0.689265 0.465954 0.227 Uiso 1 1 calc R U . . .
H21E H 0.205824 0.637401 0.525383 0.227 Uiso 1 1 calc R U . . .
C213 C 0.1815(5) 0.1434(5) 0.5253(5) 0.132(4) Uani 1 1 d D U . . .
H21F H 0.210856 0.152049 0.532262 0.198 Uiso 1 1 calc R U . . .
H21G H 0.189914 0.103130 0.534178 0.198 Uiso 1 1 calc R U . . .
H21H H 0.173368 0.165960 0.486807 0.198 Uiso 1 1 calc R U . . .
C214 C 0.5844(4) 0.3335(4) 0.5122(5) 0.100(2) Uani 1 1 d D U . . .
H214 H 0.568192 0.335666 0.546637 0.120 Uiso 1 1 calc R U . . .
C215 C 0.2653(4) 0.7073(5) 0.3445(5) 0.1072(19) Uani 1 1 d . U . . .
C216 C -0.0083(5) 0.9359(6) 0.1909(6) 0.139(3) Uani 1 1 d . U . . .
H21I H 0.009813 0.952027 0.155188 0.167 Uiso 1 1 calc R U . . .
H21J H -0.040727 0.964204 0.190621 0.167 Uiso 1 1 calc R U . . .
C218 C 0.4118(5) 0.3141(5) 0.1072(5) 0.132(4) Uani 1 1 d D U . . .
H21K H 0.413661 0.274909 0.116251 0.198 Uiso 1 1 calc R U . . .
H21L H 0.389005 0.325098 0.133896 0.198 Uiso 1 1 calc R U . . .
H21M H 0.446006 0.317648 0.108051 0.198 Uiso 1 1 calc R U . . .
C220 C 0.0694(4) 0.5723(5) 0.2607(5) 0.130(4) Uani 1 1 d D U . . .
H22A H 0.098331 0.584066 0.264122 0.196 Uiso 1 1 calc R U . . .
H22B H 0.055263 0.597060 0.224607 0.196 Uiso 1 1 calc R U . . .
H22C H 0.080965 0.533234 0.265398 0.196 Uiso 1 1 calc R U . . .
C222 C 0.6689(3) 0.3068(5) 0.2223(4) 0.0923(19) Uani 1 1 d . U . . .
H222 H 0.656688 0.346783 0.206025 0.111 Uiso 1 1 calc R U . . .
C224 C -0.0080(5) 0.4360(6) 0.2099(6) 0.144(4) Uani 1 1 d D U . . .
H22D H -0.019126 0.474223 0.180856 0.216 Uiso 1 1 calc R U . . .
H22E H 0.004135 0.408992 0.194049 0.216 Uiso 1 1 calc R U . . .
H22F H -0.036784 0.426479 0.235680 0.216 Uiso 1 1 calc R U . . .
C226 C 0.1067(4) 0.9391(5) 0.1855(6) 0.136(3) Uani 1 1 d . U . . .
H22G H 0.123105 0.969512 0.160005 0.163 Uiso 1 1 calc R U . . .
H22H H 0.098106 0.922036 0.164622 0.163 Uiso 1 1 calc R U . . .
C228 C 0.0239(5) 0.8848(5) 0.3324(6) 0.139(3) Uani 1 1 d . U . . .
H22I H 0.060229 0.885641 0.325119 0.167 Uiso 1 1 calc R U . . .
H22J H 0.010628 0.893601 0.363816 0.167 Uiso 1 1 calc R U . . .
C230 C 0.4026(4) 0.0670(5) 0.7552(4) 0.108(2) Uani 1 1 d . U . . .
C232 C 0.1449(5) 0.6476(6) 0.0274(5) 0.132(3) Uani 1 1 d D U . . .
H23A H 0.111827 0.642854 0.024618 0.199 Uiso 1 1 calc R U . . .
H23B H 0.145355 0.687329 0.005550 0.199 Uiso 1 1 calc R U . . .
H23C H 0.172188 0.623985 0.013841 0.199 Uiso 1 1 calc R U . . .
C234 C 0.4319(5) 0.0832(6) 0.2164(5) 0.149(4) Uani 1 1 d D U . . .
H23D H 0.445614 0.099091 0.178812 0.223 Uiso 1 1 calc R U . . .
H23E H 0.458169 0.051218 0.239507 0.223 Uiso 1 1 calc R U . . .
H23F H 0.402084 0.070326 0.217613 0.223 Uiso 1 1 calc R U . . .
C236 C 0.1187(5) 0.2853(5) 0.6803(4) 0.134(4) Uani 1 1 d D U . . .
H23G H 0.083168 0.283730 0.683170 0.200 Uiso 1 1 calc R U . . .
H23H H 0.140264 0.247166 0.700252 0.200 Uiso 1 1 calc R U . . .
H23I H 0.121181 0.309801 0.695892 0.200 Uiso 1 1 calc R U . . .
C238 C 0.0597(4) 0.6197(4) 0.3836(5) 0.0994(18) Uani 1 1 d . U . . .
C240 C 0.1658(4) 0.1403(5) 0.0340(5) 0.119(2) Uani 1 1 d . U . . .
H24C H 0.157272 0.175325 -0.000229 0.143 Uiso 1 1 calc R U . . .
H24D H 0.162917 0.108610 0.027996 0.143 Uiso 1 1 calc R U . . .
C242 C 0.2906(5) 0.6814(6) 0.1839(5) 0.139(3) Uani 1 1 d D U . . .
H24E H 0.312833 0.700515 0.188630 0.208 Uiso 1 1 calc R U . . .
H24F H 0.255112 0.697140 0.192713 0.208 Uiso 1 1 calc R U . . .
H24G H 0.300835 0.640894 0.208151 0.208 Uiso 1 1 calc R U . . .
C244 C 0.2723(5) 0.0904(5) 0.4328(5) 0.147(4) Uani 1 1 d D U . . .
H24H H 0.279297 0.127588 0.411732 0.220 Uiso 1 1 calc R U . . .
H24I H 0.237926 0.092452 0.425680 0.220 Uiso 1 1 calc R U . . .
H24J H 0.274676 0.078595 0.471763 0.220 Uiso 1 1 calc R U . . .
C246 C 0.0778(4) 0.3074(5) 0.2399(5) 0.1004(17) Uani 1 1 d . U . . .
C248 C 0.8043(4) 0.4695(6) 0.1688(6) 0.133(3) Uani 1 1 d . U . . .
H24K H 0.810255 0.507419 0.154732 0.160 Uiso 1 1 calc R U . . .
H24L H 0.799546 0.454578 0.208969 0.160 Uiso 1 1 calc R U . . .
C250 C -0.0205(5) 0.8832(5) 0.1973(6) 0.136(3) Uani 1 1 d . U . . .
H25A H -0.025429 0.858182 0.236399 0.163 Uiso 1 1 calc R U . . .
H25B H -0.052219 0.893513 0.178641 0.163 Uiso 1 1 calc R U . . .
C252 C 0.6023(5) 0.5430(6) 0.3156(6) 0.145(4) Uani 1 1 d D U . . .
H25C H 0.597099 0.576344 0.280342 0.218 Uiso 1 1 calc R U . . .
H25D H 0.614354 0.551483 0.341363 0.218 Uiso 1 1 calc R U . . .
H25E H 0.627756 0.511542 0.311057 0.218 Uiso 1 1 calc R U . . .
C254 C 0.2103(4) 0.6722(5) 0.1130(5) 0.1022(18) Uani 1 1 d . U . . .
C256 C 0.2715(6) -0.0142(6) 0.9315(6) 0.146(3) Uani 1 1 d . U . . .
H256 H 0.252510 -0.030830 0.964188 0.175 Uiso 1 1 calc R U . . .
C258 C 0.6861(4) 0.1216(6) 0.4169(6) 0.152(4) Uani 1 1 d D U . . .
H25F H 0.704624 0.142552 0.383828 0.228 Uiso 1 1 calc R U . . .
H25G H 0.689225 0.084093 0.419696 0.228 Uiso 1 1 calc R U . . .
H25H H 0.700636 0.117486 0.448886 0.228 Uiso 1 1 calc R U . . .
C260 C 0.4509(5) 0.2495(5) 0.6233(5) 0.131(3) Uani 1 1 d D U . . .
H26A H 0.442802 0.272759 0.584861 0.197 Uiso 1 1 calc R U . . .
H26B H 0.484146 0.222202 0.626187 0.197 Uiso 1 1 calc R U . . .
H26C H 0.424517 0.229199 0.642510 0.197 Uiso 1 1 calc R U . . .
C262 C 0.1699(4) 0.7081(5) 0.1371(5) 0.110(2) Uani 1 1 d . U . . .
C264 C 0.2077(5) 0.5958(6) 0.4524(6) 0.152(4) Uani 1 1 d D U . . .
H26D H 0.225773 0.569550 0.436589 0.228 Uiso 1 1 calc R U . . .
H26E H 0.187893 0.576586 0.485138 0.228 Uiso 1 1 calc R U . . .
H26F H 0.184673 0.628450 0.425710 0.228 Uiso 1 1 calc R U . . .
C266 C 0.2674(5) 0.4583(6) 0.6741(6) 0.151(4) Uani 1 1 d D U . . .
H26G H 0.231591 0.479964 0.672429 0.226 Uiso 1 1 calc R U . . .
H26H H 0.273536 0.426699 0.710458 0.226 Uiso 1 1 calc R U . . .
H26I H 0.289670 0.482801 0.666738 0.226 Uiso 1 1 calc R U . . .
C268 C 0.4648(5) 0.2599(6) 0.7088(5) 0.157(4) Uani 1 1 d D U . . .
H26J H 0.464732 0.289094 0.719517 0.235 Uiso 1 1 calc R U . . .
H26K H 0.438903 0.239986 0.730873 0.235 Uiso 1 1 calc R U . . .
H26L H 0.498532 0.232990 0.714550 0.235 Uiso 1 1 calc R U . . .
C270 C 0.3654(4) 0.0342(4) 0.5836(4) 0.102(2) Uani 1 1 d D U . . .
H270 H 0.363835 0.019774 0.556937 0.123 Uiso 1 1 calc R U . . .
C272 C 0.2805(6) -0.0318(6) 0.8830(5) 0.149(3) Uani 1 1 d . U . . .
H27A H 0.315837 -0.032644 0.867331 0.179 Uiso 1 1 calc R U . . .
H27B H 0.274886 -0.069726 0.896058 0.179 Uiso 1 1 calc R U . . .
C274 C 0.4082(6) 0.3544(7) -0.0016(5) 0.189(5) Uani 1 1 d D U . . .
H27C H 0.438051 0.327814 -0.005690 0.227 Uiso 1 1 calc R U . . .
H27D H 0.389355 0.382499 -0.032636 0.227 Uiso 1 1 calc R U . . .
C276 C 0.1843(5) 0.4857(7) -0.0053(5) 0.169(5) Uani 1 1 d D U . . .
H27E H 0.208105 0.505049 -0.032985 0.253 Uiso 1 1 calc R U . . .
H27F H 0.180630 0.454972 -0.011662 0.253 Uiso 1 1 calc R U . . .
H27G H 0.150979 0.512601 -0.007474 0.253 Uiso 1 1 calc R U . . .
C278 C 0.7192(4) 0.2835(5) 0.2134(4) 0.0920(18) Uani 1 1 d . U . . .
C280 C 0.0577(5) 0.1902(6) 0.3909(7) 0.161(4) Uani 1 1 d D U . . .
H28C H 0.026007 0.216264 0.395573 0.242 Uiso 1 1 calc R U . . .
H28D H 0.052068 0.175155 0.367118 0.242 Uiso 1 1 calc R U . . .
H28E H 0.068254 0.158987 0.426534 0.242 Uiso 1 1 calc R U . . .
C282 C 0.6175(5) 0.2108(5) 0.4153(5) 0.134(3) Uani 1 1 d D U . . .
H28F H 0.580455 0.227205 0.413418 0.201 Uiso 1 1 calc R U . . .
H28G H 0.629175 0.205946 0.449047 0.201 Uiso 1 1 calc R U . . .
H28H H 0.634644 0.236032 0.383922 0.201 Uiso 1 1 calc R U . . .
C284 C 0.4166(6) 0.7000(7) 0.3243(6) 0.163(4) Uani 1 1 d D U . . .
H28I H 0.403801 0.739395 0.298091 0.245 Uiso 1 1 calc R U . . .
H28J H 0.452900 0.686593 0.315853 0.245 Uiso 1 1 calc R U . . .
H28K H 0.412433 0.697305 0.361225 0.245 Uiso 1 1 calc R U . . .
C286 C 0.2911(4) 0.3914(4) 0.0493(4) 0.0881(16) Uani 1 1 d . U . . .
C15 C 0.2093(6) 0.3131(6) 0.3602(6) 0.173(3) Uani 1 1 d D U . . .
C27 C 0.3427(5) 0.4388(5) 0.4360(4) 0.167(2) Uani 1 1 d G U . . .
C217 C 0.3656(3) 0.4720(5) 0.3872(5) 0.170(2) Uani 1 1 d DG U . . .
C109 C 0.3367(4) 0.5067(4) 0.3405(4) 0.181(3) Uani 1 1 d DG U . . .
C219 C 0.2849(4) 0.5081(5) 0.3425(5) 0.186(3) Uani 1 1 d DG U . . .
C55 C 0.2620(3) 0.4749(5) 0.3914(6) 0.178(3) Uani 1 1 d DG U . . .
C221 C 0.2909(5) 0.4403(5) 0.4381(4) 0.169(2) Uani 1 1 d DG U . . .
C57 C 0.4314(6) 0.2539(7) 0.3312(6) 0.176(3) Uani 1 1 d D U . . .
C59 C 0.2035(6) 0.3546(7) 0.3075(6) 0.174(3) Uani 1 1 d D U . . .
C61 C 0.4436(7) 0.3910(9) 0.4041(8) 0.171(2) Uani 1 1 d . U . . .
C63 C 0.2492(6) 0.2633(7) 0.3742(7) 0.166(2) Uani 1 1 d D U . . .
C65 C 0.2838(5) 0.3831(6) 0.4745(6) 0.175(3) Uani 1 1 d D U . . .
C67 C 0.3608(6) 0.2706(7) 0.2775(7) 0.167(2) Uani 1 1 d D U . . .
C69 C 0.2799(7) 0.2572(7) 0.3276(7) 0.161(2) Uani 1 1 d . U . . .
C111 C 0.3270(4) 0.3645(6) 0.2110(5) 0.179(3) Uani 1 1 d DG U . . .
C223 C 0.2865(6) 0.4125(4) 0.2037(4) 0.189(3) Uani 1 1 d DG U . . .
C7 C 0.2390(4) 0.4063(5) 0.2308(5) 0.189(3) Uani 1 1 d DG U . . .
C225 C 0.2321(4) 0.3522(7) 0.2652(5) 0.174(3) Uani 1 1 d G U . . .
C113 C 0.2727(6) 0.3042(5) 0.2725(4) 0.166(2) Uani 1 1 d G U . . .
C227 C 0.3202(4) 0.3104(5) 0.2454(5) 0.170(3) Uani 1 1 d DG U . . .
C119 C 0.3535(6) 0.4423(6) 0.2018(7) 0.183(3) Uani 1 1 d D U . . .
C121 C 0.3694(6) 0.3849(6) 0.2097(7) 0.181(3) Uani 1 1 d D U . . .
C123 C 0.2495(5) 0.3579(7) 0.4670(5) 0.175(3) Uani 1 1 d DG U . . .
C247 C 0.2648(4) 0.3008(6) 0.4773(4) 0.175(3) Uani 1 1 d DG U . . .
C31 C 0.2442(5) 0.2822(4) 0.4479(6) 0.174(2) Uani 1 1 d DG U . . .
C249 C 0.2083(5) 0.3208(7) 0.4082(5) 0.175(3) Uani 1 1 d DG U . . .
C125 C 0.1930(3) 0.3780(6) 0.3980(4) 0.181(3) Uani 1 1 d DG U . . .
C251 C 0.2136(5) 0.3965(4) 0.4274(5) 0.176(3) Uani 1 1 d DG U . . .
C139 C 0.3044(8) 0.5163(9) 0.2469(7) 0.194(3) Uani 1 1 d D U . . .
C229 C 0.2242(5) 0.5000(4) 0.2910(6) 0.196(3) Uani 1 1 d DG U . . .
C115 C 0.2012(5) 0.4698(6) 0.3412(5) 0.189(3) Uani 1 1 d G U . . .
C231 C 0.1830(4) 0.4245(5) 0.3486(4) 0.189(3) Uani 1 1 d DG U . . .
C29 C 0.1878(4) 0.4093(4) 0.3058(7) 0.188(3) Uani 1 1 d DG U . . .
C233 C 0.2109(5) 0.4395(6) 0.2555(5) 0.197(3) Uani 1 1 d DG U . . .
C117 C 0.2291(4) 0.4848(6) 0.2482(4) 0.201(3) Uani 1 1 d DG U . . .
C235 C 0.3139(5) 0.2638(6) 0.4921(7) 0.179(3) Uani 1 1 d D U . . .
C237 C 0.2747(7) 0.4953(8) 0.2227(8) 0.198(3) Uani 1 1 d D U . . .
C239 C 0.4441(5) 0.3670(5) 0.2567(5) 0.178(3) Uani 1 1 d D U . . .
C241 C 0.3390(6) 0.2334(7) 0.3343(7) 0.165(2) Uani 1 1 d D U . . .
C243 C 0.4070(5) 0.2839(6) 0.2780(6) 0.171(2) Uani 1 1 d D U . . .
C245 C 0.4207(6) 0.4450(7) 0.3716(7) 0.167(2) Uani 1 1 d D U . . .
C253 C 0.3823(5) 0.4617(5) 0.2251(4) 0.181(3) Uani 1 1 d DG U . . .
C127 C 0.3547(4) 0.5008(4) 0.2453(4) 0.183(3) Uani 1 1 d G U . . .
C255 C 0.3735(4) 0.5022(4) 0.2886(4) 0.179(3) Uani 1 1 d DG U . . .
C2 C 0.4198(4) 0.4645(5) 0.3115(4) 0.172(2) Uani 1 1 d DG U . . .
C257 C 0.4473(3) 0.4254(4) 0.2913(5) 0.178(3) Uani 1 1 d DG U . . .
C129 C 0.4286(4) 0.4239(4) 0.2481(5) 0.179(3) Uani 1 1 d DG U . . .
C259 C 0.2726(5) 0.2426(6) 0.4253(7) 0.170(3) Uani 1 1 d D U . . .
C261 C 0.4265(3) 0.2266(5) 0.4232(5) 0.189(3) Uani 1 1 d G U . . .
C131 C 0.4106(4) 0.2195(5) 0.3819(4) 0.178(3) Uani 1 1 d DG U . . .
C263 C 0.3608(4) 0.2150(5) 0.3840(5) 0.175(3) Uani 1 1 d DG U . . .
C33 C 0.3268(3) 0.2176(5) 0.4275(5) 0.177(3) Uani 1 1 d DG U . . .
C265 C 0.3426(5) 0.2246(5) 0.4688(4) 0.181(3) Uani 1 1 d DG U . . .
C133 C 0.3925(5) 0.2291(5) 0.4667(4) 0.186(3) Uani 1 1 d G U . . .
C267 C 0.2199(6) 0.4541(7) 0.3908(7) 0.180(3) Uani 1 1 d D U . . .
C269 C 0.4747(4) 0.3694(4) 0.3248(5) 0.185(3) Uani 1 1 d DG U . . .
C135 C 0.4738(4) 0.3510(6) 0.3814(6) 0.183(3) Uani 1 1 d G U . . .
C271 C 0.4690(4) 0.2963(6) 0.4171(4) 0.187(3) Uani 1 1 d G U . . .
C17 C 0.4651(4) 0.2600(4) 0.3963(5) 0.189(3) Uani 1 1 d G U . . .
C273 C 0.4660(4) 0.2784(5) 0.3397(6) 0.185(3) Uani 1 1 d DG U . . .
C137 C 0.4708(4) 0.3331(6) 0.3040(4) 0.185(3) Uani 1 1 d DG U . . .
C275 C 0.4119(6) 0.3426(5) 0.2424(6) 0.178(3) Uani 1 1 d D U . . .
C277 C 0.2691(7) 0.5219(8) 0.2880(8) 0.196(3) Uani 1 1 d . U . . .
C279 C 0.4321(4) 0.2998(6) 0.4645(5) 0.183(3) Uani 1 1 d G U . . .
C35 C 0.4199(5) 0.3563(6) 0.4558(5) 0.174(3) Uani 1 1 d G U . . .
C281 C 0.3708(6) 0.3817(4) 0.4706(5) 0.171(2) Uani 1 1 d G U . . .
C141 C 0.3341(4) 0.3505(6) 0.4940(5) 0.178(3) Uani 1 1 d DG U . . .
C283 C 0.3463(5) 0.2939(6) 0.5027(4) 0.183(3) Uani 1 1 d DG U . . .
C71 C 0.3953(6) 0.2686(4) 0.4879(5) 0.185(3) Uani 1 1 d G U . . .
C285 C 0.3021(7) 0.4602(7) 0.1984(8) 0.192(3) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.3475(6) . ?
Au1 Au3 3.3415(6) . ?
Au1 N1 1.993(8) . ?
Au1 N6 1.999(8) . ?
Au2 Au3 3.3238(6) . ?
Au2 N2 2.001(9) . ?
Au2 N3 1.976(8) . ?
Au3 N4 2.014(8) . ?
Au3 N5 1.991(7) . ?
Au4 Au5 3.3422(6) . ?
Au4 Au6 3.3515(6) . ?
Au4 N7 1.997(7) . ?
Au4 N12 2.012(7) . ?
Au5 Au6 3.3227(5) . ?
Au5 N8 1.993(8) . ?
Au5 N9 1.992(8) . ?
Au6 N10 1.998(8) . ?
Au6 N11 2.009(8) . ?
Au7 Au8 3.3757(5) . ?
Au7 Au9 3.3209(5) . ?
Au7 N13 1.985(7) . ?
Au7 N18 1.955(7) . ?
Au8 Au9 3.3259(5) . ?
Au8 N14 1.991(7) . ?
Au8 N15 1.988(6) . ?
Au9 N16 1.986(7) . ?
Au9 N17 1.981(7) . ?
Au10 Au11 3.3270(5) . ?
Au10 Au12 3.3416(5) . ?
Au10 N19 1.979(6) . ?
Au10 N24 2.005(7) . ?
Au11 Au12 3.3406(5) . ?
Au11 N20 2.002(7) . ?
Au11 N21 1.995(7) . ?
Au12 N22 1.989(7) . ?
Au12 N23 1.996(7) . ?
N1 N2 1.380(10) . ?
N1 C182 1.333(13) . ?
N2 C178 1.334(13) . ?
N3 N4 1.374(11) . ?
N3 C9 1.407(12) . ?
N4 C74 1.284(12) . ?
N5 N6 1.353(10) . ?
N5 C32 1.352(11) . ?
N6 C86 1.336(11) . ?
N7 N8 1.385(10) . ?
N7 C138 1.331(11) . ?
N8 C3 1.349(11) . ?
N9 N10 1.372(10) . ?
N9 C62 1.325(12) . ?
N10 C174 1.329(12) . ?
N11 N12 1.353(11) . ?
N11 C146 1.320(11) . ?
N12 C114 1.302(12) . ?
N13 N14 1.355(9) . ?
N13 C150 1.371(11) . ?
N14 C94 1.322(11) . ?
N15 N16 1.395(9) . ?
N15 C102 1.348(10) . ?
N16 C40 1.344(10) . ?
N17 N18 1.362(9) . ?
N17 C26 1.378(11) . ?
N18 C122 1.362(11) . ?
N19 N20 1.358(9) . ?
N19 C46 1.365(10) . ?
N20 C90 1.364(10) . ?
N21 N22 1.371(9) . ?
N21 C53 1.318(11) . ?
N22 C41 1.334(11) . ?
N23 N24 1.351(9) . ?
N23 C158 1.321(11) . ?
N24 C43 1.320(11) . ?
N25 C89 1.255(14) . ?
N25 C226 1.520(15) . ?
N26 C110 1.450(14) . ?
N26 C205 1.444(15) . ?
N26 C216 1.465(17) . ?
N27 C100 1.502(14) . ?
N27 C155 1.275(13) . ?
N28 C24 1.436(15) . ?
N28 C200 1.496(17) . ?
N28 C256 1.374(17) . ?
N29 C18 1.210(13) . ?
N29 C208 1.492(14) . ?
N30 C72 1.524(15) . ?
N30 C192 1.476(15) . ?
N30 C211 1.436(15) . ?
N31 C48 1.177(13) . ?
N31 C228 1.486(14) . ?
N32 C97 1.243(13) . ?
N32 C209 1.492(14) . ?
N33 C195 1.498(14) . ?
N33 C199 1.418(14) . ?
N33 C240 1.494(13) . ?
N34 C140 1.242(15) . ?
N34 C272 1.505(16) . ?
N35 C28 1.510(13) . ?
N35 C143 1.233(13) . ?
N36 C45 1.268(12) . ?
N36 C159 1.483(13) . ?
N37 C83 1.278(13) . ?
N37 C203 1.470(13) . ?
N38 C58 1.525(14) . ?
N38 C151 1.240(14) . ?
N39 C173 1.253(13) . ?
N39 C248 1.455(13) . ?
N40 C22 1.243(15) . ?
N40 C250 1.483(14) . ?
C1 H1 0.9400 . ?
C1 C10 1.363(11) . ?
C1 C20 1.399(12) . ?
C3 C103 1.563(13) . ?
C3 C106 1.347(13) . ?
C4 H4 0.9400 . ?
C4 C116 1.385(15) . ?
C4 C187 1.401(14) . ?
C5 C89 1.437(15) . ?
C5 C161 1.410(16) . ?
C5 C191 1.324(14) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C6 C91 1.450(12) . ?
C8 H8 0.9400 . ?
C8 C60 1.406(13) . ?
C8 C136 1.371(14) . ?
C9 C193 1.459(16) . ?
C9 C206 1.342(14) . ?
C10 C16 1.488(12) . ?
C10 C39 1.407(12) . ?
C11 H11 0.9900 . ?
C11 C138 1.534(14) . ?
C11 C181 1.526(12) . ?
C11 C220 1.462(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C12 C214 1.512(11) . ?
C13 H13 0.9400 . ?
C13 C81 1.396(15) . ?
C13 C144 1.411(14) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C14 C166 1.513(10) . ?
C16 C46 1.403(11) . ?
C16 C90 1.401(12) . ?
C18 H18 0.9400 . ?
C18 C56 1.483(14) . ?
C19 H19 0.9400 . ?
C19 C21 1.406(13) . ?
C19 C230 1.318(14) . ?
C20 H20 0.9400 . ?
C20 C23 1.341(13) . ?
C21 H21 0.9400 . ?
C21 C78 1.396(13) . ?
C22 H22 0.9400 . ?
C22 C38 1.506(15) . ?
C23 C173 1.455(13) . ?
C23 C183 1.397(13) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 C100 1.544(16) . ?
C25 C143 1.537(14) . ?
C25 C164 1.362(14) . ?
C25 C172 1.314(14) . ?
C26 C54 1.397(11) . ?
C26 C210 1.490(12) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 C195 1.478(15) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C30 C166 1.525(11) . ?
C32 C50 1.396(13) . ?
C32 C214 1.528(14) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9704 . ?
C34 H34C 0.9698 . ?
C34 C103 1.504(11) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C36 C95 1.455(12) . ?
C37 C51 1.394(14) . ?
C37 C64 1.367(13) . ?
C37 C75 1.533(14) . ?
C38 C185 1.267(15) . ?
C38 C189 1.352(16) . ?
C39 H39 0.9400 . ?
C39 C183 1.399(12) . ?
C40 C98 1.428(13) . ?
C40 C152 1.505(13) . ?
C41 C194 1.480(14) . ?
C41 C254 1.373(14) . ?
C42 H42 0.9400 . ?
C42 C132 1.353(14) . ?
C42 C160 1.405(14) . ?
C43 C156 1.494(10) . ?
C43 C286 1.405(12) . ?
C44 C93 1.369(12) . ?
C44 C98 1.429(12) . ?
C44 C186 1.416(13) . ?
C45 H45 0.9400 . ?
C45 C278 1.485(13) . ?
C46 C162 1.501(12) . ?
C47 H47 0.9400 . ?
C47 C49 1.408(14) . ?
C47 C246 1.360(13) . ?
C48 H48 0.9400 . ?
C48 C132 1.474(14) . ?
C49 H49 0.9400 . ?
C49 C130 1.384(14) . ?
C50 C79 1.504(13) . ?
C50 C86 1.385(13) . ?
C51 H51 0.9400 . ?
C51 C197 1.367(15) . ?
C52 H52 0.9400 . ?
C52 C128 1.343(14) . ?
C52 C196 1.348(14) . ?
C53 C169 1.464(14) . ?
C53 C254 1.410(13) . ?
C54 C78 1.477(12) . ?
C54 C122 1.414(12) . ?
C56 C149 1.382(14) . ?
C56 C163 1.395(14) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 C200 1.481(18) . ?
C60 H60 0.9400 . ?
C60 C116 1.340(14) . ?
C62 C75 1.369(13) . ?
C62 C99 1.529(13) . ?
C64 H64 0.9400 . ?
C64 C204 1.343(14) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C66 H66C 0.9700 . ?
C66 C84 1.495(12) . ?
C68 H68 0.9400 . ?
C68 C79 1.343(13) . ?
C68 C163 1.362(13) . ?
C70 C94 1.441(12) . ?
C70 C150 1.397(13) . ?
C70 C154 1.456(13) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 C159 1.493(15) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C73 H73C 0.9700 . ?
C73 C210 1.507(11) . ?
C74 C177 1.525(15) . ?
C74 C206 1.439(13) . ?
C75 C174 1.346(13) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C76 H76C 0.9700 . ?
C76 C214 1.484(11) . ?
C77 H77 0.9900 . ?
C77 C86 1.479(14) . ?
C77 C92 1.507(12) . ?
C77 C252 1.514(12) . ?
C78 C87 1.361(13) . ?
C79 C148 1.357(13) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C80 H80C 0.9700 . ?
C80 C270 1.493(12) . ?
C81 C83 1.469(14) . ?
C81 C196 1.381(15) . ?
C82 C114 1.383(13) . ?
C82 C146 1.390(14) . ?
C82 C246 1.469(13) . ?
C83 H83 0.9400 . ?
C84 H84 0.9900 . ?
C84 C94 1.490(14) . ?
C84 C234 1.493(13) . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C85 H85C 0.9700 . ?
C85 C198 1.505(11) . ?
C87 H87 0.9400 . ?
C87 C101 1.395(13) . ?
C88 H88 0.9900 . ?
C88 C107 1.455(11) . ?
C88 C150 1.486(13) . ?
C88 C244 1.427(12) . ?
C89 H89 0.9400 . ?
C90 C166 1.479(12) . ?
C91 H91 0.9900 . ?
C91 C174 1.513(14) . ?
C91 C213 1.450(11) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C92 H92C 0.9700 . ?
C93 H93 0.9400 . ?
C93 C202 1.386(13) . ?
C95 H95 0.9900 . ?
C95 C158 1.475(13) . ?
C95 C276 1.412(13) . ?
C96 H96 0.9400 . ?
C96 C112 1.336(13) . ?
C96 C132 1.379(14) . ?
C97 H97 0.9400 . ?
C97 C130 1.501(15) . ?
C98 C102 1.407(12) . ?
C99 H99 0.9900 . ?
C99 C104 1.498(11) . ?
C99 C236 1.529(12) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C101 H101 0.9400 . ?
C101 C230 1.365(14) . ?
C102 C198 1.482(12) . ?
C103 H103 0.9900 . ?
C103 C207 1.458(11) . ?
C104 H10C 0.9700 . ?
C104 H10D 0.9700 . ?
C104 H10E 0.9700 . ?
C105 H10F 0.9700 . ?
C105 H10G 0.9700 . ?
C105 H10H 0.9700 . ?
C105 C210 1.519(11) . ?
C106 C138 1.344(13) . ?
C106 C238 1.481(13) . ?
C107 H10I 0.9700 . ?
C107 H10J 0.9700 . ?
C107 H10K 0.9700 . ?
C108 H10L 0.9700 . ?
C108 H10M 0.9700 . ?
C108 H10N 0.9700 . ?
C108 C193 1.463(11) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 C226 1.516(16) . ?
C112 H112 0.9400 . ?
C112 C238 1.361(13) . ?
C114 C120 1.522(15) . ?
C116 C155 1.511(15) . ?
C118 H11C 0.9700 . ?
C118 H11D 0.9700 . ?
C118 H11E 0.9700 . ?
C118 C120 1.558(12) . ?
C120 H120 0.9900 . ?
C120 C224 1.541(12) . ?
C122 C270 1.504(12) . ?
C124 H124 0.9900 . ?
C124 C178 1.488(14) . ?
C124 C212 1.457(12) . ?
C124 C264 1.459(13) . ?
C126 H12D 0.9700 . ?
C126 H12E 0.9700 . ?
C126 H12F 0.9700 . ?
C126 C167 1.517(13) . ?
C128 C144 1.350(14) . ?
C128 C286 1.501(13) . ?
C130 C171 1.386(14) . ?
C134 H13A 0.9700 . ?
C134 H13B 0.9700 . ?
C134 H13C 0.9700 . ?
C134 C169 1.468(13) . ?
C136 C187 1.414(14) . ?
C136 C206 1.493(14) . ?
C140 H140 0.9400 . ?
C140 C175 1.543(16) . ?
C142 H14D 0.9700 . ?
C142 H14E 0.9700 . ?
C142 H14F 0.9700 . ?
C142 C165 1.472(13) . ?
C143 H143 0.9400 . ?
C144 H144 0.9400 . ?
C145 H145 0.9400 . ?
C145 C154 1.377(14) . ?
C145 C164 1.422(14) . ?
C146 C165 1.495(14) . ?
C147 H147 0.9400 . ?
C147 C185 1.387(14) . ?
C147 C262 1.310(15) . ?
C148 H148 0.9400 . ?
C148 C149 1.323(13) . ?
C149 H149 0.9400 . ?
C151 H151 0.9400 . ?
C151 C230 1.541(14) . ?
C152 H152 0.9900 . ?
C152 C258 1.502(12) . ?
C152 C282 1.512(12) . ?
C153 H15A 0.9700 . ?
C153 H15B 0.9700 . ?
C153 H15C 0.9700 . ?
C153 C198 1.554(11) . ?
C154 C180 1.396(14) . ?
C155 H155 0.9400 . ?
C156 H156 0.9900 . ?
C156 C218 1.483(12) . ?
C156 C274 1.423(11) . ?
C157 H15D 0.9700 . ?
C157 H15E 0.9700 . ?
C157 H15F 0.9700 . ?
C157 C194 1.485(12) . ?
C158 C286 1.372(13) . ?
C159 H15G 0.9800 . ?
C159 H15H 0.9800 . ?
C160 H160 0.9400 . ?
C160 C238 1.407(13) . ?
C161 H161 0.9400 . ?
C161 C179 1.392(15) . ?
C162 H162 0.9900 . ?
C162 C168 1.493(11) . ?
C162 C190 1.520(10) . ?
C163 H163 0.9400 . ?
C164 H164 0.9400 . ?
C165 H165 0.9900 . ?
C165 C280 1.445(12) . ?
C166 H166 0.9900 . ?
C167 H167 0.9900 . ?
C167 C182 1.475(15) . ?
C167 C284 1.435(13) . ?
C168 H16A 0.9700 . ?
C168 H16B 0.9700 . ?
C168 H16C 0.9700 . ?
C169 H169 0.9900 . ?
C169 C242 1.485(12) . ?
C170 C178 1.340(14) . ?
C170 C182 1.393(14) . ?
C170 C215 1.521(15) . ?
C171 H171 0.9400 . ?
C171 C184 1.369(13) . ?
C172 H172 0.9400 . ?
C172 C180 1.365(14) . ?
C173 H173 0.9400 . ?
C175 C197 1.381(15) . ?
C175 C204 1.345(15) . ?
C176 H176 0.9400 . ?
C176 C191 1.360(14) . ?
C176 C215 1.368(15) . ?
C177 H177 0.9900 . ?
C177 C260 1.511(11) . ?
C177 C268 1.502(13) . ?
C179 H179 0.9400 . ?
C179 C215 1.372(14) . ?
C180 H180 0.9400 . ?
C181 H18A 0.9700 . ?
C181 H18B 0.9700 . ?
C181 H18C 0.9700 . ?
C183 H183 0.9400 . ?
C184 H184 0.9400 . ?
C184 C246 1.383(13) . ?
C185 H185 0.9400 . ?
C186 H186 0.9400 . ?
C186 C222 1.328(12) . ?
C187 H187 0.9400 . ?
C188 H188 0.9400 . ?
C188 C189 1.462(14) . ?
C188 C262 1.366(16) . ?
C189 H189 0.9400 . ?
C190 H19A 0.9700 . ?
C190 H19B 0.9700 . ?
C190 H19C 0.9700 . ?
C191 H191 0.9400 . ?
C192 H19D 0.9800 . ?
C192 H19E 0.9800 . ?
C192 C208 1.433(16) . ?
C193 H193 0.9900 . ?
C193 C266 1.494(13) . ?
C194 C232 1.498(12) . ?
C195 H19F 0.9800 . ?
C195 H19G 0.9800 . ?
C196 H196 0.9400 . ?
C197 H197 0.9400 . ?
C198 H198 0.9900 . ?
C199 H19H 0.9800 . ?
C199 H19I 0.9800 . ?
C199 C209 1.494(15) . ?
C200 H200 0.9400 . ?
C201 H20A 0.9700 . ?
C201 H20B 0.9700 . ?
C201 H20C 0.9700 . ?
C201 C270 1.497(12) . ?
C202 H202 0.9400 . ?
C202 C278 1.361(14) . ?
C203 H20D 0.9800 . ?
C203 H20E 0.9800 . ?
C203 C240 1.531(15) . ?
C204 H204 0.9400 . ?
C205 H20F 0.9800 . ?
C205 H20G 0.9800 . ?
C205 C228 1.503(18) . ?
C207 H20H 0.9700 . ?
C207 H20I 0.9700 . ?
C207 H20J 0.9700 . ?
C208 H20K 0.9800 . ?
C208 H20L 0.9800 . ?
C209 H20M 0.9800 . ?
C209 H20N 0.9800 . ?
C210 H210 0.9900 . ?
C211 H21A 0.9800 . ?
C211 H21B 0.9800 . ?
C211 C248 1.429(16) . ?
C212 H21C 0.9700 . ?
C212 H21D 0.9700 . ?
C212 H21E 0.9700 . ?
C213 H21F 0.9700 . ?
C213 H21G 0.9700 . ?
C213 H21H 0.9700 . ?
C214 H214 0.9900 . ?
C216 H21I 0.9800 . ?
C216 H21J 0.9800 . ?
C216 C250 1.504(16) . ?
C218 H21K 0.9700 . ?
C218 H21L 0.9700 . ?
C218 H21M 0.9700 . ?
C220 H22A 0.9700 . ?
C220 H22B 0.9700 . ?
C220 H22C 0.9700 . ?
C222 H222 0.9400 . ?
C222 C278 1.356(12) . ?
C224 H22D 0.9700 . ?
C224 H22E 0.9700 . ?
C224 H22F 0.9700 . ?
C226 H22G 0.9800 . ?
C226 H22H 0.9800 . ?
C228 H22I 0.9800 . ?
C228 H22J 0.9800 . ?
C232 H23A 0.9700 . ?
C232 H23B 0.9700 . ?
C232 H23C 0.9700 . ?
C234 H23D 0.9700 . ?
C234 H23E 0.9700 . ?
C234 H23F 0.9700 . ?
C236 H23G 0.9700 . ?
C236 H23H 0.9700 . ?
C236 H23I 0.9700 . ?
C240 H24C 0.9800 . ?
C240 H24D 0.9800 . ?
C242 H24E 0.9700 . ?
C242 H24F 0.9700 . ?
C242 H24G 0.9700 . ?
C244 H24H 0.9700 . ?
C244 H24I 0.9700 . ?
C244 H24J 0.9700 . ?
C248 H24K 0.9800 . ?
C248 H24L 0.9800 . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C252 H25C 0.9700 . ?
C252 H25D 0.9700 . ?
C252 H25E 0.9700 . ?
C254 C262 1.516(14) . ?
C256 H256 0.9400 . ?
C256 C272 1.573(18) . ?
C258 H25F 0.9700 . ?
C258 H25G 0.9700 . ?
C258 H25H 0.9700 . ?
C260 H26A 0.9700 . ?
C260 H26B 0.9700 . ?
C260 H26C 0.9700 . ?
C264 H26D 0.9700 . ?
C264 H26E 0.9700 . ?
C264 H26F 0.9700 . ?
C266 H26G 0.9700 . ?
C266 H26H 0.9700 . ?
C266 H26I 0.9700 . ?
C268 H26J 0.9700 . ?
C268 H26K 0.9700 . ?
C268 H26L 0.9700 . ?
C270 H270 0.9900 . ?
C272 H27A 0.9800 . ?
C272 H27B 0.9800 . ?
C274 H27C 0.9400 . ?
C274 H27D 0.9400 . ?
C276 H27E 0.9700 . ?
C276 H27F 0.9700 . ?
C276 H27G 0.9700 . ?
C280 H28C 0.9700 . ?
C280 H28D 0.9700 . ?
C280 H28E 0.9700 . ?
C282 H28F 0.9700 . ?
C282 H28G 0.9700 . ?
C282 H28H 0.9700 . ?
C284 H28I 0.9700 . ?
C284 H28J 0.9700 . ?
C284 H28K 0.9700 . ?
C15 C59 1.362(11) . ?
C15 C63 1.393(13) . ?
C15 C249 1.422(11) . ?
C27 C217 1.3900 . ?
C27 C221 1.3900 . ?
C27 C281 1.443(13) . ?
C217 C109 1.3900 . ?
C217 C245 1.541(19) . ?
C109 C219 1.3900 . ?
C109 C255 1.623(12) . ?
C219 C55 1.3900 . ?
C219 C277 1.47(2) . ?
C55 C221 1.3900 . ?
C55 C267 1.433(14) . ?
C221 C65 1.466(13) . ?
C57 C243 1.46(2) . ?
C57 C131 1.405(16) . ?
C57 C273 1.412(18) . ?
C59 C225 1.296(16) . ?
C59 C29 1.406(14) . ?
C61 C245 1.33(2) . ?
C61 C135 1.47(2) . ?
C61 C35 1.462(19) . ?
C63 C69 1.45(2) . ?
C63 C259 1.431(13) . ?
C65 C123 1.407(11) . ?
C65 C141 1.424(13) . ?
C67 C227 1.379(18) . ?
C67 C241 1.55(2) . ?
C67 C243 1.415(18) . ?
C69 C113 1.457(19) . ?
C69 C241 1.55(2) . ?
C111 C223 1.3900 . ?
C111 C227 1.3900 . ?
C111 C121 1.414(11) . ?
C223 C7 1.3900 . ?
C223 C285 1.432(11) . ?
C7 C225 1.3900 . ?
C7 C233 1.356(11) . ?
C225 C113 1.3900 . ?
C113 C227 1.3900 . ?
C119 C121 1.415(11) . ?
C119 C253 1.432(14) . ?
C119 C285 1.337(13) . ?
C121 C275 1.437(14) . ?
C123 C247 1.3900 . ?
C123 C251 1.3900 . ?
C247 C31 1.3900 . ?
C247 C235 1.399(11) . ?
C31 C249 1.3900 . ?
C31 C259 1.447(10) . ?
C249 C125 1.3900 . ?
C125 C251 1.3900 . ?
C125 C231 1.360(11) . ?
C251 C267 1.469(14) . ?
C139 C237 1.50(2) . ?
C139 C127 1.30(2) . ?
C139 C277 1.38(2) . ?
C229 C115 1.3900 . ?
C229 C117 1.3900 . ?
C229 C277 1.49(2) . ?
C115 C231 1.3900 . ?
C115 C267 1.364(18) . ?
C231 C29 1.3900 . ?
C29 C233 1.3900 . ?
C233 C117 1.3900 . ?
C117 C237 1.358(14) . ?
C235 C265 1.455(13) . ?
C235 C283 1.517(14) . ?
C237 C285 1.380(15) . ?
C239 C129 1.397(10) . ?
C239 C137 1.369(12) . ?
C239 C275 1.445(14) . ?
C241 C263 1.389(18) . ?
C243 C275 1.477(14) . ?
C245 C2 1.480(17) . ?
C253 C127 1.3900 . ?
C253 C129 1.3900 . ?
C127 C255 1.3900 . ?
C255 C2 1.3900 . ?
C2 C257 1.3900 . ?
C257 C129 1.3900 . ?
C257 C269 1.409(10) . ?
C259 C33 1.422(13) . ?
C261 C131 1.3900 . ?
C261 C133 1.3900 . ?
C261 C17 1.474(13) . ?
C131 C263 1.3900 . ?
C263 C33 1.3900 . ?
C33 C265 1.3900 . ?
C265 C133 1.3900 . ?
C133 C71 1.470(13) . ?
C269 C135 1.3900 . ?
C269 C137 1.3900 . ?
C135 C271 1.3900 . ?
C271 C17 1.3900 . ?
C271 C279 1.518(13) . ?
C17 C273 1.3900 . ?
C273 C137 1.3900 . ?
C279 C35 1.3900 . ?
C279 C71 1.3900 . ?
C35 C281 1.3900 . ?
C281 C141 1.3900 . ?
C141 C283 1.3900 . ?
C283 C71 1.3900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au3 Au1 Au2 59.590(12) . . ?
N1 Au1 Au2 60.1(2) . . ?
N1 Au1 Au3 119.6(2) . . ?
N1 Au1 N6 175.6(3) . . ?
N6 Au1 Au2 119.9(2) . . ?
N6 Au1 Au3 60.4(2) . . ?
Au3 Au2 Au1 60.115(12) . . ?
N2 Au2 Au1 60.9(2) . . ?
N2 Au2 Au3 121.0(2) . . ?
N3 Au2 Au1 120.6(2) . . ?
N3 Au2 Au3 60.5(2) . . ?
N3 Au2 N2 177.7(4) . . ?
Au2 Au3 Au1 60.295(13) . . ?
N4 Au3 Au1 121.2(3) . . ?
N4 Au3 Au2 61.0(3) . . ?
N5 Au3 Au1 59.8(2) . . ?
N5 Au3 Au2 120.0(2) . . ?
N5 Au3 N4 176.2(3) . . ?
Au5 Au4 Au6 59.523(12) . . ?
N7 Au4 Au5 60.9(2) . . ?
N7 Au4 Au6 120.4(2) . . ?
N7 Au4 N12 177.2(3) . . ?
N12 Au4 Au5 120.2(3) . . ?
N12 Au4 Au6 60.7(3) . . ?
Au6 Au5 Au4 60.377(12) . . ?
N8 Au5 Au4 60.2(2) . . ?
N8 Au5 Au6 120.5(2) . . ?
N8 Au5 N9 178.2(3) . . ?
N9 Au5 Au4 120.9(2) . . ?
N9 Au5 Au6 60.6(2) . . ?
Au5 Au6 Au4 60.100(12) . . ?
N10 Au6 Au4 121.0(2) . . ?
N10 Au6 Au5 60.9(2) . . ?
N10 Au6 N11 177.3(3) . . ?
N11 Au6 Au4 59.7(2) . . ?
N11 Au6 Au5 119.6(2) . . ?
Au9 Au7 Au8 59.552(11) . . ?
N13 Au7 Au8 59.5(2) . . ?
N13 Au7 Au9 119.1(2) . . ?
N18 Au7 Au8 119.5(2) . . ?
N18 Au7 Au9 60.1(2) . . ?
N18 Au7 N13 176.0(3) . . ?
Au9 Au8 Au7 59.405(11) . . ?
N14 Au8 Au7 59.4(2) . . ?
N14 Au8 Au9 118.8(2) . . ?
N15 Au8 Au7 120.9(2) . . ?
N15 Au8 Au9 61.5(2) . . ?
N15 Au8 N14 177.9(3) . . ?
Au7 Au9 Au8 61.043(11) . . ?
N16 Au9 Au7 121.3(2) . . ?
N16 Au9 Au8 60.3(2) . . ?
N17 Au9 Au7 60.1(2) . . ?
N17 Au9 Au8 121.1(2) . . ?
N17 Au9 N16 175.5(3) . . ?
Au11 Au10 Au12 60.126(11) . . ?
N19 Au10 Au11 60.2(2) . . ?
N19 Au10 Au12 120.20(19) . . ?
N19 Au10 N24 178.3(3) . . ?
N24 Au10 Au11 120.0(2) . . ?
N24 Au10 Au12 59.9(2) . . ?
Au10 Au11 Au12 60.154(11) . . ?
N20 Au11 Au10 60.38(19) . . ?
N20 Au11 Au12 120.53(19) . . ?
N21 Au11 Au10 120.0(2) . . ?
N21 Au11 Au12 60.0(2) . . ?
N21 Au11 N20 176.3(3) . . ?
Au11 Au12 Au10 59.720(11) . . ?
N22 Au12 Au10 120.3(2) . . ?
N22 Au12 Au11 60.7(2) . . ?
N22 Au12 N23 176.8(3) . . ?
N23 Au12 Au10 60.4(2) . . ?
N23 Au12 Au11 120.1(2) . . ?
N2 N1 Au1 120.9(7) . . ?
C182 N1 Au1 131.1(7) . . ?
C182 N1 N2 107.4(8) . . ?
N1 N2 Au2 118.2(7) . . ?
C178 N2 Au2 132.8(8) . . ?
C178 N2 N1 108.4(9) . . ?
N4 N3 Au2 121.2(6) . . ?
N4 N3 C9 107.0(8) . . ?
C9 N3 Au2 130.7(8) . . ?
N3 N4 Au3 117.3(6) . . ?
C74 N4 Au3 131.4(8) . . ?
C74 N4 N3 110.3(8) . . ?
N6 N5 Au3 121.0(6) . . ?
C32 N5 Au3 129.6(7) . . ?
C32 N5 N6 108.0(8) . . ?
N5 N6 Au1 118.8(6) . . ?
C86 N6 Au1 130.4(7) . . ?
C86 N6 N5 109.7(8) . . ?
N8 N7 Au4 118.2(6) . . ?
C138 N7 Au4 134.4(7) . . ?
C138 N7 N8 106.6(7) . . ?
N7 N8 Au5 120.2(5) . . ?
C3 N8 Au5 133.4(7) . . ?
C3 N8 N7 106.4(8) . . ?
N10 N9 Au5 119.9(6) . . ?
C62 N9 Au5 132.0(7) . . ?
C62 N9 N10 107.5(8) . . ?
N9 N10 Au6 118.7(6) . . ?
C174 N10 Au6 133.3(7) . . ?
C174 N10 N9 107.6(8) . . ?
N12 N11 Au6 121.2(6) . . ?
C146 N11 Au6 130.9(8) . . ?
C146 N11 N12 107.6(9) . . ?
N11 N12 Au4 118.4(6) . . ?
C114 N12 Au4 131.8(8) . . ?
C114 N12 N11 109.0(8) . . ?
N14 N13 Au7 120.7(5) . . ?
N14 N13 C150 108.0(7) . . ?
C150 N13 Au7 130.3(6) . . ?
N13 N14 Au8 120.4(6) . . ?
C94 N14 Au8 129.0(6) . . ?
C94 N14 N13 110.3(7) . . ?
N16 N15 Au8 117.6(5) . . ?
C102 N15 Au8 134.2(6) . . ?
C102 N15 N16 107.3(7) . . ?
N15 N16 Au9 120.5(5) . . ?
C40 N16 Au9 130.3(7) . . ?
C40 N16 N15 109.1(7) . . ?
N18 N17 Au9 118.9(5) . . ?
N18 N17 C26 109.9(7) . . ?
C26 N17 Au9 129.1(6) . . ?
N17 N18 Au7 120.7(5) . . ?
C122 N18 Au7 131.1(6) . . ?
C122 N18 N17 107.7(7) . . ?
N20 N19 Au10 120.5(5) . . ?
N20 N19 C46 108.4(6) . . ?
C46 N19 Au10 131.0(6) . . ?
N19 N20 Au11 118.3(5) . . ?
N19 N20 C90 110.2(7) . . ?
C90 N20 Au11 130.8(6) . . ?
N22 N21 Au11 120.2(5) . . ?
C53 N21 Au11 130.7(7) . . ?
C53 N21 N22 108.4(7) . . ?
N21 N22 Au12 119.0(5) . . ?
C41 N22 Au12 131.7(7) . . ?
C41 N22 N21 108.7(8) . . ?
N24 N23 Au12 119.6(5) . . ?
C158 N23 Au12 131.3(6) . . ?
C158 N23 N24 108.4(7) . . ?
N23 N24 Au10 120.1(6) . . ?
C43 N24 Au10 129.9(6) . . ?
C43 N24 N23 108.6(7) . . ?
C89 N25 C226 116.2(12) . . ?
C110 N26 C216 110.8(12) . . ?
C205 N26 C110 114.7(11) . . ?
C205 N26 C216 112.7(11) . . ?
C155 N27 C100 114.2(12) . . ?
C24 N28 C200 109.1(12) . . ?
C256 N28 C24 114.3(12) . . ?
C256 N28 C200 110.8(12) . . ?
C18 N29 C208 120.8(12) . . ?
C192 N30 C72 109.1(10) . . ?
C211 N30 C72 112.6(11) . . ?
C211 N30 C192 116.2(11) . . ?
C48 N31 C228 118.9(11) . . ?
C97 N32 C209 116.7(11) . . ?
C199 N33 C195 114.1(10) . . ?
C199 N33 C240 108.9(10) . . ?
C240 N33 C195 111.4(10) . . ?
C140 N34 C272 112.2(12) . . ?
C143 N35 C28 112.6(11) . . ?
C45 N36 C159 116.1(10) . . ?
C83 N37 C203 118.1(11) . . ?
C151 N38 C58 114.5(11) . . ?
C173 N39 C248 118.2(11) . . ?
C22 N40 C250 117.6(12) . . ?
C10 C1 H1 119.2 . . ?
C10 C1 C20 121.7(9) . . ?
C20 C1 H1 119.2 . . ?
N8 C3 C103 121.2(9) . . ?
N8 C3 C106 110.1(9) . . ?
C106 C3 C103 128.5(9) . . ?
C116 C4 H4 120.9 . . ?
C116 C4 C187 118.2(11) . . ?
C187 C4 H4 120.9 . . ?
C161 C5 C89 122.8(11) . . ?
C191 C5 C89 121.5(13) . . ?
C191 C5 C161 115.8(12) . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C91 C6 H6A 109.5 . . ?
C91 C6 H6B 109.5 . . ?
C91 C6 H6C 109.5 . . ?
C60 C8 H8 120.2 . . ?
C136 C8 H8 120.2 . . ?
C136 C8 C60 119.6(11) . . ?
N3 C9 C193 118.7(11) . . ?
C206 C9 N3 107.4(10) . . ?
C206 C9 C193 133.7(11) . . ?
C1 C10 C16 123.8(8) . . ?
C1 C10 C39 117.0(8) . . ?
C39 C10 C16 119.1(8) . . ?
C138 C11 H11 103.1 . . ?
C181 C11 H11 103.1 . . ?
C181 C11 C138 114.2(9) . . ?
C220 C11 H11 103.1 . . ?
C220 C11 C138 114.2(9) . . ?
C220 C11 C181 116.7(10) . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C214 C12 H12A 109.5 . . ?
C214 C12 H12B 109.5 . . ?
C214 C12 H12C 109.5 . . ?
C81 C13 H13 120.3 . . ?
C81 C13 C144 119.4(11) . . ?
C144 C13 H13 120.3 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C166 C14 H14A 109.5 . . ?
C166 C14 H14B 109.5 . . ?
C166 C14 H14C 109.5 . . ?
C46 C16 C10 127.7(8) . . ?
C90 C16 C10 124.5(8) . . ?
C90 C16 C46 107.5(8) . . ?
N29 C18 H18 118.6 . . ?
N29 C18 C56 122.7(12) . . ?
C56 C18 H18 118.6 . . ?
C21 C19 H19 119.5 . . ?
C230 C19 H19 119.5 . . ?
C230 C19 C21 121.1(10) . . ?
C1 C20 H20 119.1 . . ?
C23 C20 C1 121.8(9) . . ?
C23 C20 H20 119.1 . . ?
C19 C21 H21 120.1 . . ?
C78 C21 C19 119.9(10) . . ?
C78 C21 H21 120.1 . . ?
N40 C22 H22 119.0 . . ?
N40 C22 C38 122.0(13) . . ?
C38 C22 H22 119.0 . . ?
C20 C23 C173 123.7(10) . . ?
C20 C23 C183 118.5(9) . . ?
C183 C23 C173 117.8(10) . . ?
N28 C24 H24A 110.3 . . ?
N28 C24 H24B 110.3 . . ?
N28 C24 C100 106.9(11) . . ?
H24A C24 H24B 108.6 . . ?
C100 C24 H24A 110.3 . . ?
C100 C24 H24B 110.3 . . ?
C164 C25 C143 121.1(11) . . ?
C172 C25 C143 118.2(11) . . ?
C172 C25 C164 120.7(11) . . ?
N17 C26 C54 107.4(8) . . ?
N17 C26 C210 119.1(8) . . ?
C54 C26 C210 133.4(8) . . ?
N35 C28 H28A 109.7 . . ?
N35 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
C195 C28 N35 109.8(10) . . ?
C195 C28 H28A 109.7 . . ?
C195 C28 H28B 109.7 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C166 C30 H30A 109.5 . . ?
C166 C30 H30B 109.5 . . ?
C166 C30 H30C 109.5 . . ?
N5 C32 C50 108.1(9) . . ?
N5 C32 C214 118.3(9) . . ?
C50 C32 C214 133.5(10) . . ?
H34A C34 H34B 109.4 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C103 C34 H34A 109.3 . . ?
C103 C34 H34B 109.7 . . ?
C103 C34 H34C 109.4 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C95 C36 H36A 109.5 . . ?
C95 C36 H36B 109.5 . . ?
C95 C36 H36C 109.5 . . ?
C51 C37 C75 119.8(9) . . ?
C64 C37 C51 119.1(11) . . ?
C64 C37 C75 121.1(10) . . ?
C185 C38 C22 122.9(13) . . ?
C185 C38 C189 119.2(11) . . ?
C189 C38 C22 117.5(12) . . ?
C10 C39 H39 119.6 . . ?
C183 C39 C10 120.8(9) . . ?
C183 C39 H39 119.6 . . ?
N16 C40 C98 108.9(8) . . ?
N16 C40 C152 119.8(8) . . ?
C98 C40 C152 131.2(8) . . ?
N22 C41 C194 124.2(10) . . ?
N22 C41 C254 108.8(9) . . ?
C254 C41 C194 127.0(10) . . ?
C132 C42 H42 119.8 . . ?
C132 C42 C160 120.4(10) . . ?
C160 C42 H42 119.8 . . ?
N24 C43 C156 122.0(8) . . ?
N24 C43 C286 109.0(8) . . ?
C286 C43 C156 128.9(8) . . ?
C93 C44 C98 127.1(10) . . ?
C93 C44 C186 111.8(9) . . ?
C186 C44 C98 120.6(8) . . ?
N36 C45 H45 119.1 . . ?
N36 C45 C278 121.8(11) . . ?
C278 C45 H45 119.1 . . ?
N19 C46 C16 107.4(8) . . ?
N19 C46 C162 118.9(7) . . ?
C16 C46 C162 133.7(8) . . ?
C49 C47 H47 119.4 . . ?
C246 C47 H47 119.4 . . ?
C246 C47 C49 121.2(10) . . ?
N31 C48 H48 118.1 . . ?
N31 C48 C132 123.7(12) . . ?
C132 C48 H48 118.1 . . ?
C47 C49 H49 119.7 . . ?
C130 C49 C47 120.5(10) . . ?
C130 C49 H49 119.7 . . ?
C32 C50 C79 125.4(10) . . ?
C86 C50 C32 106.0(9) . . ?
C86 C50 C79 128.6(10) . . ?
C37 C51 H51 120.6 . . ?
C197 C51 C37 118.7(11) . . ?
C197 C51 H51 120.6 . . ?
C128 C52 H52 118.1 . . ?
C128 C52 C196 123.8(11) . . ?
C196 C52 H52 118.1 . . ?
N21 C53 C169 120.0(9) . . ?
N21 C53 C254 108.7(9) . . ?
C254 C53 C169 131.3(10) . . ?
C26 C54 C78 127.3(9) . . ?
C26 C54 C122 106.0(8) . . ?
C122 C54 C78 126.5(8) . . ?
C149 C56 C18 122.2(10) . . ?
C149 C56 C163 118.4(10) . . ?
C163 C56 C18 119.3(11) . . ?
N38 C58 H58A 110.4 . . ?
N38 C58 H58B 110.4 . . ?
H58A C58 H58B 108.6 . . ?
C200 C58 N38 106.7(12) . . ?
C200 C58 H58A 110.4 . . ?
C200 C58 H58B 110.4 . . ?
C8 C60 H60 119.3 . . ?
C116 C60 C8 121.3(11) . . ?
C116 C60 H60 119.3 . . ?
N9 C62 C75 109.0(9) . . ?
N9 C62 C99 118.8(9) . . ?
C75 C62 C99 132.1(10) . . ?
C37 C64 H64 119.8 . . ?
C204 C64 C37 120.3(11) . . ?
C204 C64 H64 119.8 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C84 C66 H66A 109.5 . . ?
C84 C66 H66B 109.5 . . ?
C84 C66 H66C 109.5 . . ?
C79 C68 H68 117.3 . . ?
C79 C68 C163 125.4(10) . . ?
C163 C68 H68 117.3 . . ?
C94 C70 C154 130.2(10) . . ?
C150 C70 C94 104.3(9) . . ?
C150 C70 C154 125.5(9) . . ?
N30 C72 H72A 109.5 . . ?
N30 C72 H72B 109.5 . . ?
H72A C72 H72B 108.1 . . ?
C159 C72 N30 110.6(10) . . ?
C159 C72 H72A 109.5 . . ?
C159 C72 H72B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C210 C73 H73A 109.5 . . ?
C210 C73 H73B 109.5 . . ?
C210 C73 H73C 109.5 . . ?
N4 C74 C177 122.6(10) . . ?
N4 C74 C206 108.3(10) . . ?
C206 C74 C177 129.0(10) . . ?
C62 C75 C37 126.8(10) . . ?
C174 C75 C37 125.8(10) . . ?
C174 C75 C62 106.3(10) . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C214 C76 H76A 109.5 . . ?
C214 C76 H76B 109.5 . . ?
C214 C76 H76C 109.5 . . ?
C86 C77 H77 105.0 . . ?
C86 C77 C92 111.1(9) . . ?
C86 C77 C252 117.8(10) . . ?
C92 C77 H77 105.0 . . ?
C92 C77 C252 111.6(10) . . ?
C252 C77 H77 105.0 . . ?
C21 C78 C54 120.5(9) . . ?
C87 C78 C21 117.4(9) . . ?
C87 C78 C54 122.0(9) . . ?
C68 C79 C50 120.1(9) . . ?
C68 C79 C148 114.8(10) . . ?
C148 C79 C50 125.2(9) . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C270 C80 H80A 109.5 . . ?
C270 C80 H80B 109.5 . . ?
C270 C80 H80C 109.5 . . ?
C13 C81 C83 122.9(11) . . ?
C196 C81 C13 118.3(11) . . ?
C196 C81 C83 118.7(11) . . ?
C114 C82 C146 103.4(9) . . ?
C114 C82 C246 128.4(11) . . ?
C146 C82 C246 128.1(10) . . ?
N37 C83 C81 122.0(12) . . ?
N37 C83 H83 119.0 . . ?
C81 C83 H83 119.0 . . ?
C66 C84 H84 108.3 . . ?
C94 C84 C66 111.4(10) . . ?
C94 C84 H84 108.3 . . ?
C234 C84 C66 109.3(11) . . ?
C234 C84 H84 108.3 . . ?
C234 C84 C94 111.1(10) . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C198 C85 H85A 109.5 . . ?
C198 C85 H85B 109.5 . . ?
C198 C85 H85C 109.5 . . ?
N6 C86 C50 108.2(9) . . ?
N6 C86 C77 120.2(10) . . ?
C50 C86 C77 131.6(10) . . ?
C78 C87 H87 119.2 . . ?
C78 C87 C101 121.5(10) . . ?
C101 C87 H87 119.2 . . ?
C107 C88 H88 90.2 . . ?
C107 C88 C150 113.4(10) . . ?
C150 C88 H88 90.2 . . ?
C244 C88 H88 90.2 . . ?
C244 C88 C107 128.4(11) . . ?
C244 C88 C150 118.3(10) . . ?
N25 C89 C5 121.8(13) . . ?
N25 C89 H89 119.1 . . ?
C5 C89 H89 119.1 . . ?
N20 C90 C16 106.4(8) . . ?
N20 C90 C166 123.7(8) . . ?
C16 C90 C166 129.8(8) . . ?
C6 C91 H91 101.6 . . ?
C6 C91 C174 114.6(9) . . ?
C6 C91 C213 119.7(11) . . ?
C174 C91 H91 101.6 . . ?
C213 C91 H91 101.6 . . ?
C213 C91 C174 113.9(9) . . ?
C77 C92 H92A 109.5 . . ?
C77 C92 H92B 109.5 . . ?
C77 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C44 C93 H93 116.8 . . ?
C44 C93 C202 126.4(11) . . ?
C202 C93 H93 116.8 . . ?
N14 C94 C70 108.3(9) . . ?
N14 C94 C84 121.2(9) . . ?
C70 C94 C84 130.5(10) . . ?
C36 C95 H95 100.4 . . ?
C36 C95 C158 114.1(10) . . ?
C158 C95 H95 100.4 . . ?
C276 C95 C36 122.1(11) . . ?
C276 C95 H95 100.4 . . ?
C276 C95 C158 114.1(10) . . ?
C112 C96 H96 118.7 . . ?
C112 C96 C132 122.7(10) . . ?
C132 C96 H96 118.7 . . ?
N32 C97 H97 119.7 . . ?
N32 C97 C130 120.5(12) . . ?
C130 C97 H97 119.7 . . ?
C40 C98 C44 127.8(9) . . ?
C102 C98 C40 104.1(8) . . ?
C102 C98 C44 128.1(9) . . ?
C62 C99 H99 108.0 . . ?
C62 C99 C236 112.4(9) . . ?
C104 C99 C62 110.1(9) . . ?
C104 C99 H99 108.0 . . ?
C104 C99 C236 110.2(10) . . ?
C236 C99 H99 108.0 . . ?
N27 C100 C24 108.3(11) . . ?
N27 C100 H10A 110.0 . . ?
N27 C100 H10B 110.0 . . ?
C24 C100 H10A 110.0 . . ?
C24 C100 H10B 110.0 . . ?
H10A C100 H10B 108.4 . . ?
C87 C101 H101 120.2 . . ?
C230 C101 C87 119.6(11) . . ?
C230 C101 H101 120.2 . . ?
N15 C102 C98 110.5(8) . . ?
N15 C102 C198 123.7(8) . . ?
C98 C102 C198 125.7(8) . . ?
C3 C103 H103 106.1 . . ?
C34 C103 C3 110.3(8) . . ?
C34 C103 H103 106.1 . . ?
C207 C103 C3 114.8(8) . . ?
C207 C103 C34 112.7(9) . . ?
C207 C103 H103 106.1 . . ?
C99 C104 H10C 109.5 . . ?
C99 C104 H10D 109.5 . . ?
C99 C104 H10E 109.5 . . ?
H10C C104 H10D 109.5 . . ?
H10C C104 H10E 109.5 . . ?
H10D C104 H10E 109.5 . . ?
H10F C105 H10G 109.5 . . ?
H10F C105 H10H 109.5 . . ?
H10G C105 H10H 109.5 . . ?
C210 C105 H10F 109.5 . . ?
C210 C105 H10G 109.5 . . ?
C210 C105 H10H 109.5 . . ?
C3 C106 C238 124.2(10) . . ?
C138 C106 C3 105.8(9) . . ?
C138 C106 C238 129.9(11) . . ?
C88 C107 H10I 109.5 . . ?
C88 C107 H10J 109.5 . . ?
C88 C107 H10K 109.5 . . ?
H10I C107 H10J 109.5 . . ?
H10I C107 H10K 109.5 . . ?
H10J C107 H10K 109.5 . . ?
H10L C108 H10M 109.5 . . ?
H10L C108 H10N 109.5 . . ?
H10M C108 H10N 109.5 . . ?
C193 C108 H10L 109.5 . . ?
C193 C108 H10M 109.5 . . ?
C193 C108 H10N 109.5 . . ?
N26 C110 H11A 109.3 . . ?
N26 C110 H11B 109.3 . . ?
N26 C110 C226 111.8(11) . . ?
H11A C110 H11B 107.9 . . ?
C226 C110 H11A 109.3 . . ?
C226 C110 H11B 109.3 . . ?
C96 C112 H112 118.5 . . ?
C96 C112 C238 123.0(10) . . ?
C238 C112 H112 118.5 . . ?
N12 C114 C82 110.1(10) . . ?
N12 C114 C120 119.9(9) . . ?
C82 C114 C120 130.0(10) . . ?
C4 C116 C155 123.1(11) . . ?
C60 C116 C4 121.3(11) . . ?
C60 C116 C155 115.6(11) . . ?
H11C C118 H11D 109.5 . . ?
H11C C118 H11E 109.5 . . ?
H11D C118 H11E 109.5 . . ?
C120 C118 H11C 109.5 . . ?
C120 C118 H11D 109.5 . . ?
C120 C118 H11E 109.5 . . ?
C114 C120 C118 113.1(9) . . ?
C114 C120 H120 105.5 . . ?
C114 C120 C224 113.0(9) . . ?
C118 C120 H120 105.5 . . ?
C224 C120 C118 113.2(11) . . ?
C224 C120 H120 105.5 . . ?
N18 C122 C54 109.0(8) . . ?
N18 C122 C270 120.3(9) . . ?
C54 C122 C270 130.7(9) . . ?
C178 C124 H124 98.9 . . ?
C212 C124 H124 98.9 . . ?
C212 C124 C178 116.7(10) . . ?
C212 C124 C264 117.5(12) . . ?
C264 C124 H124 98.9 . . ?
C264 C124 C178 118.8(11) . . ?
H12D C126 H12E 109.5 . . ?
H12D C126 H12F 109.5 . . ?
H12E C126 H12F 109.5 . . ?
C167 C126 H12D 109.5 . . ?
C167 C126 H12E 109.5 . . ?
C167 C126 H12F 109.5 . . ?
C52 C128 C144 118.9(10) . . ?
C52 C128 C286 120.1(10) . . ?
C144 C128 C286 120.9(10) . . ?
C49 C130 C97 119.4(10) . . ?
C171 C130 C49 118.6(10) . . ?
C171 C130 C97 122.0(10) . . ?
C42 C132 C48 121.9(10) . . ?
C42 C132 C96 117.2(10) . . ?
C96 C132 C48 120.9(10) . . ?
H13A C134 H13B 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
C169 C134 H13A 109.5 . . ?
C169 C134 H13B 109.5 . . ?
C169 C134 H13C 109.5 . . ?
C8 C136 C187 118.7(10) . . ?
C8 C136 C206 120.4(10) . . ?
C187 C136 C206 120.7(10) . . ?
N7 C138 C11 120.0(9) . . ?
N7 C138 C106 111.0(10) . . ?
C106 C138 C11 128.9(10) . . ?
N34 C140 H140 119.8 . . ?
N34 C140 C175 120.4(13) . . ?
C175 C140 H140 119.8 . . ?
H14D C142 H14E 109.5 . . ?
H14D C142 H14F 109.5 . . ?
H14E C142 H14F 109.5 . . ?
C165 C142 H14D 109.5 . . ?
C165 C142 H14E 109.5 . . ?
C165 C142 H14F 109.5 . . ?
N35 C143 C25 118.4(12) . . ?
N35 C143 H143 120.8 . . ?
C25 C143 H143 120.8 . . ?
C13 C144 H144 120.0 . . ?
C128 C144 C13 120.1(11) . . ?
C128 C144 H144 120.0 . . ?
C154 C145 H145 118.8 . . ?
C154 C145 C164 122.4(11) . . ?
C164 C145 H145 118.8 . . ?
N11 C146 C82 109.9(10) . . ?
N11 C146 C165 123.3(11) . . ?
C82 C146 C165 126.8(10) . . ?
C185 C147 H147 118.6 . . ?
C262 C147 H147 118.6 . . ?
C262 C147 C185 122.8(12) . . ?
C79 C148 H148 117.7 . . ?
C149 C148 C79 124.6(11) . . ?
C149 C148 H148 117.7 . . ?
C56 C149 H149 120.2 . . ?
C148 C149 C56 119.7(10) . . ?
C148 C149 H149 120.2 . . ?
N13 C150 C70 108.8(8) . . ?
N13 C150 C88 122.9(10) . . ?
C70 C150 C88 128.2(10) . . ?
N38 C151 H151 120.1 . . ?
N38 C151 C230 119.8(12) . . ?
C230 C151 H151 120.1 . . ?
C40 C152 H152 105.2 . . ?
C40 C152 C282 109.9(9) . . ?
C258 C152 C40 113.2(10) . . ?
C258 C152 H152 105.2 . . ?
C258 C152 C282 116.9(10) . . ?
C282 C152 H152 105.2 . . ?
H15A C153 H15B 109.5 . . ?
H15A C153 H15C 109.5 . . ?
H15B C153 H15C 109.5 . . ?
C198 C153 H15A 109.5 . . ?
C198 C153 H15B 109.5 . . ?
C198 C153 H15C 109.5 . . ?
C145 C154 C70 123.9(10) . . ?
C145 C154 C180 114.9(10) . . ?
C180 C154 C70 121.2(10) . . ?
N27 C155 C116 119.3(12) . . ?
N27 C155 H155 120.3 . . ?
C116 C155 H155 120.3 . . ?
C43 C156 H156 91.2 . . ?
C218 C156 C43 112.5(8) . . ?
C218 C156 H156 91.2 . . ?
C274 C156 C43 113.9(8) . . ?
C274 C156 H156 91.2 . . ?
C274 C156 C218 133.5(8) . . ?
H15D C157 H15E 109.5 . . ?
H15D C157 H15F 109.5 . . ?
H15E C157 H15F 109.5 . . ?
C194 C157 H15D 109.5 . . ?
C194 C157 H15E 109.5 . . ?
C194 C157 H15F 109.5 . . ?
N23 C158 C95 120.7(9) . . ?
N23 C158 C286 110.1(8) . . ?
C286 C158 C95 129.2(9) . . ?
N36 C159 C72 108.1(10) . . ?
N36 C159 H15G 110.1 . . ?
N36 C159 H15H 110.1 . . ?
C72 C159 H15G 110.1 . . ?
C72 C159 H15H 110.1 . . ?
H15G C159 H15H 108.4 . . ?
C42 C160 H160 119.3 . . ?
C42 C160 C238 121.3(10) . . ?
C238 C160 H160 119.3 . . ?
C5 C161 H161 120.1 . . ?
C179 C161 C5 119.9(11) . . ?
C179 C161 H161 120.1 . . ?
C46 C162 H162 105.3 . . ?
C46 C162 C190 109.1(7) . . ?
C168 C162 C46 112.9(8) . . ?
C168 C162 H162 105.3 . . ?
C168 C162 C190 117.7(8) . . ?
C190 C162 H162 105.3 . . ?
C56 C163 H163 121.4 . . ?
C68 C163 C56 117.1(10) . . ?
C68 C163 H163 121.4 . . ?
C25 C164 C145 117.9(11) . . ?
C25 C164 H164 121.0 . . ?
C145 C164 H164 121.0 . . ?
C142 C165 C146 116.3(11) . . ?
C142 C165 H165 93.8 . . ?
C146 C165 H165 93.8 . . ?
C280 C165 C142 123.9(12) . . ?
C280 C165 C146 118.5(10) . . ?
C280 C165 H165 93.8 . . ?
C14 C166 C30 112.2(8) . . ?
C14 C166 H166 105.8 . . ?
C30 C166 H166 105.8 . . ?
C90 C166 C14 112.8(8) . . ?
C90 C166 C30 113.6(8) . . ?
C90 C166 H166 105.8 . . ?
C126 C167 H167 95.0 . . ?
C182 C167 C126 113.8(11) . . ?
C182 C167 H167 95.0 . . ?
C284 C167 C126 129.8(12) . . ?
C284 C167 H167 95.0 . . ?
C284 C167 C182 114.2(11) . . ?
C162 C168 H16A 109.5 . . ?
C162 C168 H16B 109.5 . . ?
C162 C168 H16C 109.5 . . ?
H16A C168 H16B 109.5 . . ?
H16A C168 H16C 109.5 . . ?
H16B C168 H16C 109.5 . . ?
C53 C169 C134 114.5(11) . . ?
C53 C169 H169 101.9 . . ?
C53 C169 C242 116.3(10) . . ?
C134 C169 H169 101.9 . . ?
C134 C169 C242 116.8(11) . . ?
C242 C169 H169 101.9 . . ?
C178 C170 C182 107.2(11) . . ?
C178 C170 C215 126.5(11) . . ?
C182 C170 C215 126.2(11) . . ?
C130 C171 H171 120.6 . . ?
C184 C171 C130 118.8(10) . . ?
C184 C171 H171 120.6 . . ?
C25 C172 H172 119.2 . . ?
C25 C172 C180 121.7(12) . . ?
C180 C172 H172 119.2 . . ?
N39 C173 C23 122.4(11) . . ?
N39 C173 H173 118.8 . . ?
C23 C173 H173 118.8 . . ?
N10 C174 C75 109.5(9) . . ?
N10 C174 C91 120.7(10) . . ?
C75 C174 C91 129.7(11) . . ?
C197 C175 C140 121.8(12) . . ?
C204 C175 C140 120.0(11) . . ?
C204 C175 C197 118.0(12) . . ?
C191 C176 H176 120.5 . . ?
C191 C176 C215 119.0(11) . . ?
C215 C176 H176 120.5 . . ?
C74 C177 H177 103.6 . . ?
C260 C177 C74 110.0(10) . . ?
C260 C177 H177 103.6 . . ?
C268 C177 C74 115.4(10) . . ?
C268 C177 H177 103.6 . . ?
C268 C177 C260 118.5(11) . . ?
N2 C178 C124 120.5(11) . . ?
N2 C178 C170 108.9(10) . . ?
C170 C178 C124 130.5(12) . . ?
C161 C179 H179 119.5 . . ?
C215 C179 C161 121.1(12) . . ?
C215 C179 H179 119.5 . . ?
C154 C180 H180 118.9 . . ?
C172 C180 C154 122.1(11) . . ?
C172 C180 H180 118.9 . . ?
C11 C181 H18A 109.5 . . ?
C11 C181 H18B 109.5 . . ?
C11 C181 H18C 109.5 . . ?
H18A C181 H18B 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
N1 C182 C167 122.0(11) . . ?
N1 C182 C170 107.9(10) . . ?
C170 C182 C167 130.0(12) . . ?
C23 C183 C39 120.1(10) . . ?
C23 C183 H183 119.9 . . ?
C39 C183 H183 119.9 . . ?
C171 C184 H184 117.9 . . ?
C171 C184 C246 124.2(10) . . ?
C246 C184 H184 117.9 . . ?
C38 C185 C147 121.7(13) . . ?
C38 C185 H185 119.2 . . ?
C147 C185 H185 119.2 . . ?
C44 C186 H186 118.7 . . ?
C222 C186 C44 122.6(9) . . ?
C222 C186 H186 118.7 . . ?
C4 C187 C136 120.7(11) . . ?
C4 C187 H187 119.7 . . ?
C136 C187 H187 119.7 . . ?
C189 C188 H188 121.6 . . ?
C262 C188 H188 121.6 . . ?
C262 C188 C189 116.9(12) . . ?
C38 C189 C188 120.5(12) . . ?
C38 C189 H189 119.8 . . ?
C188 C189 H189 119.8 . . ?
C162 C190 H19A 109.5 . . ?
C162 C190 H19B 109.5 . . ?
C162 C190 H19C 109.5 . . ?
H19A C190 H19B 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C5 C191 C176 125.9(12) . . ?
C5 C191 H191 117.0 . . ?
C176 C191 H191 117.0 . . ?
N30 C192 H19D 109.0 . . ?
N30 C192 H19E 109.0 . . ?
H19D C192 H19E 107.8 . . ?
C208 C192 N30 113.0(11) . . ?
C208 C192 H19D 109.0 . . ?
C208 C192 H19E 109.0 . . ?
C9 C193 C108 109.0(12) . . ?
C9 C193 H193 95.4 . . ?
C9 C193 C266 120.8(11) . . ?
C108 C193 H193 95.4 . . ?
C108 C193 C266 127.6(13) . . ?
C266 C193 H193 95.4 . . ?
C41 C194 C157 113.6(10) . . ?
C41 C194 C232 113.1(9) . . ?
C157 C194 C232 115.6(11) . . ?
N33 C195 H19F 110.0 . . ?
N33 C195 H19G 110.0 . . ?
C28 C195 N33 108.5(10) . . ?
C28 C195 H19F 110.0 . . ?
C28 C195 H19G 110.0 . . ?
H19F C195 H19G 108.4 . . ?
C52 C196 C81 119.4(12) . . ?
C52 C196 H196 120.3 . . ?
C81 C196 H196 120.3 . . ?
C51 C197 H197 119.3 . . ?
C175 C197 C51 121.3(12) . . ?
C175 C197 H197 119.3 . . ?
C85 C198 C153 112.2(8) . . ?
C85 C198 H198 106.0 . . ?
C102 C198 C85 114.6(8) . . ?
C102 C198 C153 111.2(8) . . ?
C102 C198 H198 106.0 . . ?
C153 C198 H198 106.0 . . ?
N33 C199 H19H 108.8 . . ?
N33 C199 H19I 108.8 . . ?
N33 C199 C209 114.0(10) . . ?
H19H C199 H19I 107.6 . . ?
C209 C199 H19H 108.8 . . ?
C209 C199 H19I 108.8 . . ?
N28 C200 H200 121.0 . . ?
C58 C200 N28 118.0(12) . . ?
C58 C200 H200 121.0 . . ?
H20A C201 H20B 109.5 . . ?
H20A C201 H20C 109.5 . . ?
H20B C201 H20C 109.5 . . ?
C270 C201 H20A 109.5 . . ?
C270 C201 H20B 109.5 . . ?
C270 C201 H20C 109.5 . . ?
C93 C202 H202 121.2 . . ?
C278 C202 C93 117.7(9) . . ?
C278 C202 H202 121.2 . . ?
N37 C203 H20D 109.9 . . ?
N37 C203 H20E 109.9 . . ?
N37 C203 C240 108.9(10) . . ?
H20D C203 H20E 108.3 . . ?
C240 C203 H20D 109.9 . . ?
C240 C203 H20E 109.9 . . ?
C64 C204 C175 122.5(11) . . ?
C64 C204 H204 118.8 . . ?
C175 C204 H204 118.8 . . ?
N26 C205 H20F 110.0 . . ?
N26 C205 H20G 110.0 . . ?
N26 C205 C228 108.6(11) . . ?
H20F C205 H20G 108.4 . . ?
C228 C205 H20F 110.0 . . ?
C228 C205 H20G 110.0 . . ?
C9 C206 C74 107.0(10) . . ?
C9 C206 C136 127.3(10) . . ?
C74 C206 C136 125.6(11) . . ?
C103 C207 H20H 109.5 . . ?
C103 C207 H20I 109.5 . . ?
C103 C207 H20J 109.5 . . ?
H20H C207 H20I 109.5 . . ?
H20H C207 H20J 109.5 . . ?
H20I C207 H20J 109.5 . . ?
N29 C208 H20K 110.0 . . ?
N29 C208 H20L 110.0 . . ?
C192 C208 N29 108.5(12) . . ?
C192 C208 H20K 110.0 . . ?
C192 C208 H20L 110.0 . . ?
H20K C208 H20L 108.4 . . ?
N32 C209 C199 109.0(11) . . ?
N32 C209 H20M 109.9 . . ?
N32 C209 H20N 109.9 . . ?
C199 C209 H20M 109.9 . . ?
C199 C209 H20N 109.9 . . ?
H20M C209 H20N 108.3 . . ?
C26 C210 C73 112.9(8) . . ?
C26 C210 C105 112.7(8) . . ?
C26 C210 H210 106.7 . . ?
C73 C210 C105 110.8(8) . . ?
C73 C210 H210 106.7 . . ?
C105 C210 H210 106.7 . . ?
N30 C211 H21A 109.5 . . ?
N30 C211 H21B 109.5 . . ?
H21A C211 H21B 108.0 . . ?
C248 C211 N30 110.9(11) . . ?
C248 C211 H21A 109.5 . . ?
C248 C211 H21B 109.5 . . ?
C124 C212 H21C 109.5 . . ?
C124 C212 H21D 109.5 . . ?
C124 C212 H21E 109.5 . . ?
H21C C212 H21D 109.5 . . ?
H21C C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
C91 C213 H21F 109.5 . . ?
C91 C213 H21G 109.5 . . ?
C91 C213 H21H 109.5 . . ?
H21F C213 H21G 109.5 . . ?
H21F C213 H21H 109.5 . . ?
H21G C213 H21H 109.5 . . ?
C12 C214 C32 110.8(8) . . ?
C12 C214 H214 105.4 . . ?
C32 C214 H214 105.4 . . ?
C76 C214 C12 113.4(10) . . ?
C76 C214 C32 115.5(9) . . ?
C76 C214 H214 105.4 . . ?
C176 C215 C170 119.4(10) . . ?
C176 C215 C179 118.3(12) . . ?
C179 C215 C170 122.3(11) . . ?
N26 C216 H21I 108.6 . . ?
N26 C216 H21J 108.6 . . ?
N26 C216 C250 114.5(12) . . ?
H21I C216 H21J 107.6 . . ?
C250 C216 H21I 108.6 . . ?
C250 C216 H21J 108.6 . . ?
C156 C218 H21K 109.5 . . ?
C156 C218 H21L 109.5 . . ?
C156 C218 H21M 109.5 . . ?
H21K C218 H21L 109.5 . . ?
H21K C218 H21M 109.5 . . ?
H21L C218 H21M 109.5 . . ?
C11 C220 H22A 109.5 . . ?
C11 C220 H22B 109.5 . . ?
C11 C220 H22C 109.5 . . ?
H22A C220 H22B 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C186 C222 H222 118.4 . . ?
C186 C222 C278 123.1(10) . . ?
C278 C222 H222 118.4 . . ?
C120 C224 H22D 109.5 . . ?
C120 C224 H22E 109.5 . . ?
C120 C224 H22F 109.5 . . ?
H22D C224 H22E 109.5 . . ?
H22D C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
N25 C226 H22G 109.9 . . ?
N25 C226 H22H 109.9 . . ?
C110 C226 N25 109.1(12) . . ?
C110 C226 H22G 109.9 . . ?
C110 C226 H22H 109.9 . . ?
H22G C226 H22H 108.3 . . ?
N31 C228 C205 107.3(12) . . ?
N31 C228 H22I 110.2 . . ?
N31 C228 H22J 110.2 . . ?
C205 C228 H22I 110.2 . . ?
C205 C228 H22J 110.2 . . ?
H22I C228 H22J 108.5 . . ?
C19 C230 C101 120.3(10) . . ?
C19 C230 C151 118.6(10) . . ?
C101 C230 C151 120.6(11) . . ?
C194 C232 H23A 109.5 . . ?
C194 C232 H23B 109.5 . . ?
C194 C232 H23C 109.5 . . ?
H23A C232 H23B 109.5 . . ?
H23A C232 H23C 109.5 . . ?
H23B C232 H23C 109.5 . . ?
C84 C234 H23D 109.5 . . ?
C84 C234 H23E 109.5 . . ?
C84 C234 H23F 109.5 . . ?
H23D C234 H23E 109.5 . . ?
H23D C234 H23F 109.5 . . ?
H23E C234 H23F 109.5 . . ?
C99 C236 H23G 109.5 . . ?
C99 C236 H23H 109.5 . . ?
C99 C236 H23I 109.5 . . ?
H23G C236 H23H 109.5 . . ?
H23G C236 H23I 109.5 . . ?
H23H C236 H23I 109.5 . . ?
C112 C238 C106 122.5(9) . . ?
C112 C238 C160 115.2(9) . . ?
C160 C238 C106 122.1(9) . . ?
N33 C240 C203 110.9(10) . . ?
N33 C240 H24C 109.5 . . ?
N33 C240 H24D 109.5 . . ?
C203 C240 H24C 109.5 . . ?
C203 C240 H24D 109.5 . . ?
H24C C240 H24D 108.0 . . ?
C169 C242 H24E 109.5 . . ?
C169 C242 H24F 109.5 . . ?
C169 C242 H24G 109.5 . . ?
H24E C242 H24F 109.5 . . ?
H24E C242 H24G 109.5 . . ?
H24F C242 H24G 109.5 . . ?
C88 C244 H24H 109.5 . . ?
C88 C244 H24I 109.5 . . ?
C88 C244 H24J 109.5 . . ?
H24H C244 H24I 109.5 . . ?
H24H C244 H24J 109.5 . . ?
H24I C244 H24J 109.5 . . ?
C47 C246 C82 120.2(9) . . ?
C47 C246 C184 116.6(10) . . ?
C184 C246 C82 123.1(9) . . ?
N39 C248 H24K 108.6 . . ?
N39 C248 H24L 108.6 . . ?
C211 C248 N39 114.5(12) . . ?
C211 C248 H24K 108.6 . . ?
C211 C248 H24L 108.6 . . ?
H24K C248 H24L 107.6 . . ?
N40 C250 C216 107.3(10) . . ?
N40 C250 H25A 110.2 . . ?
N40 C250 H25B 110.2 . . ?
C216 C250 H25A 110.2 . . ?
C216 C250 H25B 110.2 . . ?
H25A C250 H25B 108.5 . . ?
C77 C252 H25C 109.5 . . ?
C77 C252 H25D 109.5 . . ?
C77 C252 H25E 109.5 . . ?
H25C C252 H25D 109.5 . . ?
H25C C252 H25E 109.5 . . ?
H25D C252 H25E 109.5 . . ?
C41 C254 C53 105.4(9) . . ?
C41 C254 C262 127.8(10) . . ?
C53 C254 C262 126.4(10) . . ?
N28 C256 H256 123.6 . . ?
N28 C256 C272 112.8(12) . . ?
C272 C256 H256 123.6 . . ?
C152 C258 H25F 109.5 . . ?
C152 C258 H25G 109.5 . . ?
C152 C258 H25H 109.5 . . ?
H25F C258 H25G 109.5 . . ?
H25F C258 H25H 109.5 . . ?
H25G C258 H25H 109.5 . . ?
C177 C260 H26A 109.5 . . ?
C177 C260 H26B 109.5 . . ?
C177 C260 H26C 109.5 . . ?
H26A C260 H26B 109.5 . . ?
H26A C260 H26C 109.5 . . ?
H26B C260 H26C 109.5 . . ?
C147 C262 C188 118.6(11) . . ?
C147 C262 C254 121.7(11) . . ?
C188 C262 C254 119.4(11) . . ?
C124 C264 H26D 109.5 . . ?
C124 C264 H26E 109.5 . . ?
C124 C264 H26F 109.5 . . ?
H26D C264 H26E 109.5 . . ?
H26D C264 H26F 109.5 . . ?
H26E C264 H26F 109.5 . . ?
C193 C266 H26G 109.5 . . ?
C193 C266 H26H 109.5 . . ?
C193 C266 H26I 109.5 . . ?
H26G C266 H26H 109.5 . . ?
H26G C266 H26I 109.5 . . ?
H26H C266 H26I 109.5 . . ?
C177 C268 H26J 109.5 . . ?
C177 C268 H26K 109.5 . . ?
C177 C268 H26L 109.5 . . ?
H26J C268 H26K 109.5 . . ?
H26J C268 H26L 109.5 . . ?
H26K C268 H26L 109.5 . . ?
C80 C270 C122 119.4(9) . . ?
C80 C270 C201 112.7(9) . . ?
C80 C270 H270 105.1 . . ?
C122 C270 H270 105.1 . . ?
C201 C270 C122 108.1(9) . . ?
C201 C270 H270 105.1 . . ?
N34 C272 C256 106.1(11) . . ?
N34 C272 H27A 110.5 . . ?
N34 C272 H27B 110.5 . . ?
C256 C272 H27A 110.5 . . ?
C256 C272 H27B 110.5 . . ?
H27A C272 H27B 108.7 . . ?
C156 C274 H27C 120.0 . . ?
C156 C274 H27D 120.0 . . ?
H27C C274 H27D 120.0 . . ?
C95 C276 H27E 109.5 . . ?
C95 C276 H27F 109.5 . . ?
C95 C276 H27G 109.5 . . ?
H27E C276 H27F 109.5 . . ?
H27E C276 H27G 109.5 . . ?
H27F C276 H27G 109.5 . . ?
C202 C278 C45 120.9(9) . . ?
C222 C278 C45 120.8(10) . . ?
C222 C278 C202 118.2(9) . . ?
C165 C280 H28C 109.5 . . ?
C165 C280 H28D 109.5 . . ?
C165 C280 H28E 109.5 . . ?
H28C C280 H28D 109.5 . . ?
H28C C280 H28E 109.5 . . ?
H28D C280 H28E 109.5 . . ?
C152 C282 H28F 109.5 . . ?
C152 C282 H28G 109.5 . . ?
C152 C282 H28H 109.5 . . ?
H28F C282 H28G 109.5 . . ?
H28F C282 H28H 109.5 . . ?
H28G C282 H28H 109.5 . . ?
C167 C284 H28I 109.5 . . ?
C167 C284 H28J 109.5 . . ?
C167 C284 H28K 109.5 . . ?
H28I C284 H28J 109.5 . . ?
H28I C284 H28K 109.5 . . ?
H28J C284 H28K 109.5 . . ?
C43 C286 C128 125.5(9) . . ?
C158 C286 C43 103.9(8) . . ?
C158 C286 C128 129.9(9) . . ?
C59 C15 C63 121.9(15) . . ?
C59 C15 C249 126.7(14) . . ?
C63 C15 C249 98.0(14) . . ?
C217 C27 C221 120.0 . . ?
C217 C27 C281 120.0(10) . . ?
C221 C27 C281 109.1(11) . . ?
C27 C217 C109 120.0 . . ?
C27 C217 C245 117.6(9) . . ?
C109 C217 C245 110.4(8) . . ?
C217 C109 C255 107.0(6) . . ?
C219 C109 C217 120.0 . . ?
C219 C109 C255 119.3(7) . . ?
C109 C219 C277 110.5(11) . . ?
C55 C219 C109 120.0 . . ?
C55 C219 C277 122.6(12) . . ?
C219 C55 C221 120.0 . . ?
C219 C55 C267 121.0(12) . . ?
C221 C55 C267 113.0(12) . . ?
C27 C221 C65 109.2(10) . . ?
C55 C221 C27 120.0 . . ?
C55 C221 C65 119.9(11) . . ?
C131 C57 C243 126.7(13) . . ?
C273 C57 C243 117.3(12) . . ?
C273 C57 C131 110.3(13) . . ?
C15 C59 C29 111.4(14) . . ?
C225 C59 C15 125.4(16) . . ?
C225 C59 C29 113.9(16) . . ?
C245 C61 C135 121.6(18) . . ?
C245 C61 C35 123.1(18) . . ?
C135 C61 C35 105.3(15) . . ?
C15 C63 C69 114.3(15) . . ?
C15 C63 C259 116.0(15) . . ?
C259 C63 C69 120.5(15) . . ?
C123 C65 C221 126.1(14) . . ?
C123 C65 C141 120.9(14) . . ?
C141 C65 C221 103.4(12) . . ?
C227 C67 C241 108.6(14) . . ?
C227 C67 C243 122.6(15) . . ?
C243 C67 C241 115.8(13) . . ?
C63 C69 C113 120.4(16) . . ?
C63 C69 C241 116.6(15) . . ?
C113 C69 C241 106.1(14) . . ?
C223 C111 C227 120.0 . . ?
C223 C111 C121 100.8(12) . . ?
C227 C111 C121 126.5(11) . . ?
C111 C223 C7 120.0 . . ?
C111 C223 C285 113.8(13) . . ?
C7 C223 C285 115.9(13) . . ?
C223 C7 C225 120.0 . . ?
C233 C7 C223 123.0(13) . . ?
C233 C7 C225 104.9(13) . . ?
C59 C225 C7 108.0(13) . . ?
C59 C225 C113 119.3(14) . . ?
C113 C225 C7 120.0 . . ?
C225 C113 C69 118.2(13) . . ?
C227 C113 C69 110.4(13) . . ?
C227 C113 C225 120.0 . . ?
C67 C227 C111 117.0(13) . . ?
C67 C227 C113 112.1(13) . . ?
C113 C227 C111 120.0 . . ?
C121 C119 C253 119.3(10) . . ?
C285 C119 C121 108.6(15) . . ?
C285 C119 C253 123.3(14) . . ?
C111 C121 C119 111.7(14) . . ?
C111 C121 C275 115.4(13) . . ?
C119 C121 C275 124.4(11) . . ?
C247 C123 C65 120.3(13) . . ?
C247 C123 C251 120.0 . . ?
C251 C123 C65 113.2(14) . . ?
C123 C247 C235 126.4(13) . . ?
C31 C247 C123 120.0 . . ?
C31 C247 C235 106.3(13) . . ?
C247 C31 C259 125.8(13) . . ?
C249 C31 C247 120.0 . . ?
C249 C31 C259 103.1(13) . . ?
C31 C249 C15 118.2(14) . . ?
C31 C249 C125 120.0 . . ?
C125 C249 C15 112.7(14) . . ?
C251 C125 C249 120.0 . . ?
C231 C125 C249 127.8(13) . . ?
C231 C125 C251 103.4(13) . . ?
C123 C251 C267 120.2(13) . . ?
C125 C251 C123 120.0 . . ?
C125 C251 C267 108.9(13) . . ?
C127 C139 C237 120.2(17) . . ?
C127 C139 C277 131.3(19) . . ?
C277 C139 C237 99.0(18) . . ?
C115 C229 C117 120.0 . . ?
C115 C229 C277 121.4(13) . . ?
C117 C229 C277 109.3(13) . . ?
C231 C115 C229 120.0 . . ?
C267 C115 C229 123.3(13) . . ?
C267 C115 C231 105.0(13) . . ?
C125 C231 C115 115.1(13) . . ?
C125 C231 C29 111.9(12) . . ?
C115 C231 C29 120.0 . . ?
C231 C29 C59 128.9(13) . . ?
C231 C29 C233 120.0 . . ?
C233 C29 C59 99.9(13) . . ?
C7 C233 C29 113.3(13) . . ?
C7 C233 C117 116.8(13) . . ?
C117 C233 C29 120.0 . . ?
C233 C117 C229 120.0 . . ?
C237 C117 C229 103.1(15) . . ?
C237 C117 C233 125.4(14) . . ?
C247 C235 C265 126.0(14) . . ?
C247 C235 C283 108.6(12) . . ?
C265 C235 C283 114.5(12) . . ?
C117 C237 C139 117.5(18) . . ?
C117 C237 C285 115.5(18) . . ?
C285 C237 C139 118.2(16) . . ?
C129 C239 C275 121.4(10) . . ?
C137 C239 C129 110.9(12) . . ?
C137 C239 C275 117.3(9) . . ?
C67 C241 C69 102.7(15) . . ?
C263 C241 C67 124.1(12) . . ?
C263 C241 C69 121.3(14) . . ?
C57 C243 C275 117.1(11) . . ?
C67 C243 C57 115.2(12) . . ?
C67 C243 C275 118.6(14) . . ?
C61 C245 C217 119.3(15) . . ?
C61 C245 C2 120.4(17) . . ?
C2 C245 C217 104.0(9) . . ?
C127 C253 C119 117.4(9) . . ?
C127 C253 C129 120.0 . . ?
C129 C253 C119 116.2(8) . . ?
C139 C127 C253 121.7(13) . . ?
C139 C127 C255 110.3(12) . . ?
C255 C127 C253 120.0 . . ?
C127 C255 C109 122.1(7) . . ?
C2 C255 C109 104.7(6) . . ?
C2 C255 C127 120.0 . . ?
C255 C2 C245 113.8(9) . . ?
C255 C2 C257 120.0 . . ?
C257 C2 C245 116.5(9) . . ?
C2 C257 C269 123.6(10) . . ?
C129 C257 C2 120.0 . . ?
C129 C257 C269 107.6(10) . . ?
C253 C129 C239 124.0(10) . . ?
C257 C129 C239 106.3(10) . . ?
C257 C129 C253 120.0 . . ?
C63 C259 C31 104.6(14) . . ?
C33 C259 C63 117.2(13) . . ?
C33 C259 C31 126.2(14) . . ?
C131 C261 C133 120.0 . . ?
C131 C261 C17 105.4(10) . . ?
C133 C261 C17 126.0(10) . . ?
C261 C131 C57 108.3(10) . . ?
C261 C131 C263 120.0 . . ?
C263 C131 C57 118.6(10) . . ?
C131 C263 C241 117.3(10) . . ?
C33 C263 C241 116.6(10) . . ?
C33 C263 C131 120.0 . . ?
C263 C33 C259 127.2(11) . . ?
C265 C33 C259 104.9(11) . . ?
C265 C33 C263 120.0 . . ?
C33 C265 C235 126.4(11) . . ?
C133 C265 C235 101.1(11) . . ?
C133 C265 C33 120.0 . . ?
C261 C133 C71 117.1(11) . . ?
C265 C133 C261 120.0 . . ?
C265 C133 C71 112.9(11) . . ?
C55 C267 C251 125.0(16) . . ?
C115 C267 C55 118.3(14) . . ?
C115 C267 C251 107.1(14) . . ?
C135 C269 C257 119.3(11) . . ?
C135 C269 C137 120.0 . . ?
C137 C269 C257 108.8(11) . . ?
C269 C135 C61 118.3(13) . . ?
C271 C135 C61 109.3(13) . . ?
C271 C135 C269 120.0 . . ?
C135 C271 C17 120.0 . . ?
C135 C271 C279 108.2(11) . . ?
C17 C271 C279 117.5(11) . . ?
C271 C17 C261 117.3(11) . . ?
C273 C17 C261 109.5(11) . . ?
C273 C17 C271 120.0 . . ?
C17 C273 C57 105.7(11) . . ?
C17 C273 C137 120.0 . . ?
C137 C273 C57 122.5(11) . . ?
C239 C137 C269 106.3(11) . . ?
C239 C137 C273 123.3(10) . . ?
C273 C137 C269 120.0 . . ?
C121 C275 C239 112.8(9) . . ?
C121 C275 C243 119.5(13) . . ?
C239 C275 C243 121.4(11) . . ?
C219 C277 C229 113.0(14) . . ?
C139 C277 C219 122.2(17) . . ?
C139 C277 C229 110.8(19) . . ?
C35 C279 C271 105.8(12) . . ?
C35 C279 C71 120.0 . . ?
C71 C279 C271 123.5(12) . . ?
C279 C35 C61 111.2(13) . . ?
C279 C35 C281 120.0 . . ?
C281 C35 C61 117.2(13) . . ?
C35 C281 C27 122.6(11) . . ?
C141 C281 C27 105.4(12) . . ?
C141 C281 C35 120.0 . . ?
C281 C141 C65 112.8(12) . . ?
C281 C141 C283 120.0 . . ?
C283 C141 C65 114.9(12) . . ?
C141 C283 C235 128.4(11) . . ?
C71 C283 C235 100.9(11) . . ?
C71 C283 C141 120.0 . . ?
C279 C71 C133 118.5(11) . . ?
C283 C71 C133 110.6(12) . . ?
C283 C71 C279 120.0 . . ?
C119 C285 C223 105.1(15) . . ?
C119 C285 C237 118.8(16) . . ?
C237 C285 C223 122.9(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 0.1(10) . . . . ?
Au1 N1 N2 C178 -172.1(7) . . . . ?
Au1 N1 C182 C167 -8.3(17) . . . . ?
Au1 N1 C182 C170 169.8(7) . . . . ?
Au1 N6 C86 C50 -167.1(6) . . . . ?
Au1 N6 C86 C77 13.7(13) . . . . ?
Au2 N2 C178 C124 7.3(16) . . . . ?
Au2 N2 C178 C170 -169.4(8) . . . . ?
Au2 N3 N4 Au3 2.7(9) . . . . ?
Au2 N3 N4 C74 -167.5(7) . . . . ?
Au2 N3 C9 C193 -18.6(15) . . . . ?
Au2 N3 C9 C206 166.3(7) . . . . ?
Au3 N4 C74 C177 13.1(16) . . . . ?
Au3 N4 C74 C206 -169.6(7) . . . . ?
Au3 N5 N6 Au1 2.5(9) . . . . ?
Au3 N5 N6 C86 -166.4(6) . . . . ?
Au3 N5 C32 C50 164.2(6) . . . . ?
Au3 N5 C32 C214 -13.5(12) . . . . ?
Au4 N7 N8 Au5 -8.4(8) . . . . ?
Au4 N7 N8 C3 171.0(5) . . . . ?
Au4 N7 C138 C11 8.0(13) . . . . ?
Au4 N7 C138 C106 -169.3(6) . . . . ?
Au4 N12 C114 C82 167.5(6) . . . . ?
Au4 N12 C114 C120 -13.4(14) . . . . ?
Au5 N8 C3 C103 -3.1(12) . . . . ?
Au5 N8 C3 C106 -179.9(6) . . . . ?
Au5 N9 N10 Au6 -1.1(8) . . . . ?
Au5 N9 N10 C174 172.1(6) . . . . ?
Au5 N9 C62 C75 -172.0(6) . . . . ?
Au5 N9 C62 C99 7.1(13) . . . . ?
Au6 N10 C174 C75 173.1(6) . . . . ?
Au6 N10 C174 C91 -9.8(13) . . . . ?
Au6 N11 N12 Au4 3.8(9) . . . . ?
Au6 N11 N12 C114 174.8(6) . . . . ?
Au6 N11 C146 C82 -172.6(6) . . . . ?
Au6 N11 C146 C165 9.6(15) . . . . ?
Au7 N13 N14 Au8 1.9(9) . . . . ?
Au7 N13 N14 C94 -172.7(6) . . . . ?
Au7 N13 C150 C70 168.5(7) . . . . ?
Au7 N13 C150 C88 -8.7(15) . . . . ?
Au7 N18 C122 C54 -170.2(6) . . . . ?
Au7 N18 C122 C270 13.0(13) . . . . ?
Au8 N14 C94 C70 -169.4(6) . . . . ?
Au8 N14 C94 C84 8.6(14) . . . . ?
Au8 N15 N16 Au9 2.7(8) . . . . ?
Au8 N15 N16 C40 -173.5(6) . . . . ?
Au8 N15 C102 C98 170.6(6) . . . . ?
Au8 N15 C102 C198 -11.7(14) . . . . ?
Au9 N16 C40 C98 -173.4(6) . . . . ?
Au9 N16 C40 C152 8.8(13) . . . . ?
Au9 N17 N18 Au7 6.5(8) . . . . ?
Au9 N17 N18 C122 -165.9(6) . . . . ?
Au9 N17 C26 C54 163.6(6) . . . . ?
Au9 N17 C26 C210 -13.3(12) . . . . ?
Au10 N19 N20 Au11 9.5(8) . . . . ?
Au10 N19 N20 C90 -178.6(5) . . . . ?
Au10 N19 C46 C16 177.8(6) . . . . ?
Au10 N19 C46 C162 -3.4(12) . . . . ?
Au10 N24 C43 C156 -15.8(14) . . . . ?
Au10 N24 C43 C286 167.0(7) . . . . ?
Au11 N20 C90 C16 171.2(6) . . . . ?
Au11 N20 C90 C166 -10.0(13) . . . . ?
Au11 N21 N22 Au12 -0.1(9) . . . . ?
Au11 N21 N22 C41 172.0(7) . . . . ?
Au11 N21 C53 C169 10.1(16) . . . . ?
Au11 N21 C53 C254 -170.3(7) . . . . ?
Au12 N22 C41 C194 -11.3(16) . . . . ?
Au12 N22 C41 C254 169.9(8) . . . . ?
Au12 N23 N24 Au10 2.4(9) . . . . ?
Au12 N23 N24 C43 169.7(7) . . . . ?
Au12 N23 C158 C95 10.5(15) . . . . ?
Au12 N23 C158 C286 -168.8(7) . . . . ?
N1 N2 C178 C124 177.8(9) . . . . ?
N1 N2 C178 C170 1.2(12) . . . . ?
N2 N1 C182 C167 -179.3(10) . . . . ?
N2 N1 C182 C170 -1.2(12) . . . . ?
N3 N4 C74 C177 -178.6(9) . . . . ?
N3 N4 C74 C206 -1.3(12) . . . . ?
N3 C9 C193 C108 101.9(13) . . . . ?
N3 C9 C193 C266 -95.3(15) . . . . ?
N3 C9 C206 C74 0.7(12) . . . . ?
N3 C9 C206 C136 -174.6(10) . . . . ?
N4 N3 C9 C193 173.6(10) . . . . ?
N4 N3 C9 C206 -1.5(12) . . . . ?
N4 C74 C177 C260 -99.3(13) . . . . ?
N4 C74 C177 C268 123.3(13) . . . . ?
N4 C74 C206 C9 0.3(13) . . . . ?
N4 C74 C206 C136 175.8(10) . . . . ?
N5 N6 C86 C50 0.1(10) . . . . ?
N5 N6 C86 C77 -179.1(8) . . . . ?
N5 C32 C50 C79 179.8(8) . . . . ?
N5 C32 C50 C86 1.9(10) . . . . ?
N5 C32 C214 C12 90.2(11) . . . . ?
N5 C32 C214 C76 -139.1(10) . . . . ?
N6 N5 C32 C50 -1.9(10) . . . . ?
N6 N5 C32 C214 -179.6(8) . . . . ?
N7 N8 C3 C103 177.6(7) . . . . ?
N7 N8 C3 C106 0.8(9) . . . . ?
N8 N7 C138 C11 177.7(7) . . . . ?
N8 N7 C138 C106 0.4(10) . . . . ?
N8 C3 C103 C34 -67.9(11) . . . . ?
N8 C3 C103 C207 60.8(12) . . . . ?
N8 C3 C106 C138 -0.5(10) . . . . ?
N8 C3 C106 C238 -179.9(8) . . . . ?
N9 N10 C174 C75 1.3(10) . . . . ?
N9 N10 C174 C91 178.5(8) . . . . ?
N9 C62 C75 C37 170.2(9) . . . . ?
N9 C62 C75 C174 1.7(11) . . . . ?
N9 C62 C99 C104 -101.7(11) . . . . ?
N9 C62 C99 C236 135.0(10) . . . . ?
N10 N9 C62 C75 -0.9(10) . . . . ?
N10 N9 C62 C99 178.2(7) . . . . ?
N11 N12 C114 C82 -1.8(11) . . . . ?
N11 N12 C114 C120 177.3(8) . . . . ?
N11 C146 C165 C142 -107.6(14) . . . . ?
N11 C146 C165 C280 85.0(16) . . . . ?
N12 N11 C146 C82 1.0(11) . . . . ?
N12 N11 C146 C165 -176.8(9) . . . . ?
N12 C114 C120 C118 100.8(12) . . . . ?
N12 C114 C120 C224 -128.9(11) . . . . ?
N13 N14 C94 C70 4.5(11) . . . . ?
N13 N14 C94 C84 -177.5(9) . . . . ?
N14 N13 C150 C70 0.2(11) . . . . ?
N14 N13 C150 C88 -177.0(9) . . . . ?
N15 N16 C40 C98 2.4(10) . . . . ?
N15 N16 C40 C152 -175.5(8) . . . . ?
N15 C102 C198 C85 63.7(12) . . . . ?
N15 C102 C198 C153 -64.8(11) . . . . ?
N16 N15 C102 C98 2.1(10) . . . . ?
N16 N15 C102 C198 179.8(8) . . . . ?
N16 C40 C98 C44 177.8(9) . . . . ?
N16 C40 C98 C102 -1.0(11) . . . . ?
N16 C40 C152 C258 117.6(11) . . . . ?
N16 C40 C152 C282 -109.7(11) . . . . ?
N17 N18 C122 C54 1.1(10) . . . . ?
N17 N18 C122 C270 -175.7(8) . . . . ?
N17 C26 C54 C78 -175.4(9) . . . . ?
N17 C26 C54 C122 -0.3(10) . . . . ?
N17 C26 C210 C73 88.4(11) . . . . ?
N17 C26 C210 C105 -145.1(9) . . . . ?
N18 N17 C26 C54 1.0(10) . . . . ?
N18 N17 C26 C210 -175.9(7) . . . . ?
N18 C122 C270 C80 132.9(11) . . . . ?
N18 C122 C270 C201 -96.6(12) . . . . ?
N19 N20 C90 C16 0.7(9) . . . . ?
N19 N20 C90 C166 179.5(8) . . . . ?
N19 C46 C162 C168 -139.6(9) . . . . ?
N19 C46 C162 C190 87.5(10) . . . . ?
N20 N19 C46 C16 -0.4(9) . . . . ?
N20 N19 C46 C162 178.3(7) . . . . ?
N20 C90 C166 C14 72.3(11) . . . . ?
N20 C90 C166 C30 -56.8(11) . . . . ?
N21 N22 C41 C194 178.0(10) . . . . ?
N21 N22 C41 C254 -0.8(12) . . . . ?
N21 C53 C169 C134 100.3(14) . . . . ?
N21 C53 C169 C242 -118.7(13) . . . . ?
N21 C53 C254 C41 -0.4(13) . . . . ?
N21 C53 C254 C262 172.3(11) . . . . ?
N22 N21 C53 C169 -179.5(9) . . . . ?
N22 N21 C53 C254 0.0(12) . . . . ?
N22 C41 C194 C157 71.5(15) . . . . ?
N22 C41 C194 C232 -62.9(15) . . . . ?
N22 C41 C254 C53 0.7(13) . . . . ?
N22 C41 C254 C262 -171.9(11) . . . . ?
N23 N24 C43 C156 178.6(8) . . . . ?
N23 N24 C43 C286 1.4(11) . . . . ?
N23 C158 C286 C43 -0.2(12) . . . . ?
N23 C158 C286 C128 171.0(10) . . . . ?
N24 N23 C158 C95 -179.6(9) . . . . ?
N24 N23 C158 C286 1.1(11) . . . . ?
N24 C43 C156 C218 83.3(11) . . . . ?
N24 C43 C156 C274 -100.4(12) . . . . ?
N24 C43 C286 C128 -172.5(9) . . . . ?
N24 C43 C286 C158 -0.8(12) . . . . ?
N26 C110 C226 N25 -79.6(15) . . . . ?
N26 C205 C228 N31 -79.9(13) . . . . ?
N26 C216 C250 N40 -84.4(14) . . . . ?
N28 C24 C100 N27 -90.2(13) . . . . ?
N28 C256 C272 N34 -80.2(15) . . . . ?
N29 C18 C56 C149 -3(2) . . . . ?
N29 C18 C56 C163 -178.7(13) . . . . ?
N30 C72 C159 N36 -85.0(13) . . . . ?
N30 C192 C208 N29 -82.0(14) . . . . ?
N30 C211 C248 N39 -78.1(15) . . . . ?
N31 C48 C132 C42 -9(2) . . . . ?
N31 C48 C132 C96 172.7(15) . . . . ?
N32 C97 C130 C49 -175.1(12) . . . . ?
N32 C97 C130 C171 6(2) . . . . ?
N33 C199 C209 N32 -79.0(13) . . . . ?
N34 C140 C175 C197 -4(2) . . . . ?
N34 C140 C175 C204 179.7(13) . . . . ?
N35 C28 C195 N33 -90.1(12) . . . . ?
N36 C45 C278 C202 1.6(17) . . . . ?
N36 C45 C278 C222 -174.6(10) . . . . ?
N37 C203 C240 N33 -81.5(12) . . . . ?
N38 C58 C200 N28 -79.7(15) . . . . ?
N38 C151 C230 C19 -174.6(13) . . . . ?
N38 C151 C230 C101 -2.5(19) . . . . ?
N40 C22 C38 C185 -164.9(14) . . . . ?
N40 C22 C38 C189 8(2) . . . . ?
C1 C10 C16 C46 75.3(14) . . . . ?
C1 C10 C16 C90 -110.7(11) . . . . ?
C1 C10 C39 C183 1.6(15) . . . . ?
C1 C20 C23 C173 -178.9(10) . . . . ?
C1 C20 C23 C183 -1.7(17) . . . . ?
C3 C106 C138 N7 0.1(11) . . . . ?
C3 C106 C138 C11 -176.9(8) . . . . ?
C3 C106 C238 C112 77.2(15) . . . . ?
C3 C106 C238 C160 -107.3(13) . . . . ?
C4 C116 C155 N27 0.0(19) . . . . ?
C5 C161 C179 C215 2.1(19) . . . . ?
C6 C91 C174 N10 -62.8(14) . . . . ?
C6 C91 C174 C75 113.7(13) . . . . ?
C8 C60 C116 C4 -1.3(19) . . . . ?
C8 C60 C116 C155 176.3(11) . . . . ?
C8 C136 C187 C4 4.2(18) . . . . ?
C8 C136 C206 C9 86.1(16) . . . . ?
C8 C136 C206 C74 -88.4(15) . . . . ?
C9 N3 N4 Au3 171.9(6) . . . . ?
C9 N3 N4 C74 1.8(11) . . . . ?
C10 C1 C20 C23 3.7(16) . . . . ?
C10 C16 C46 N19 175.6(8) . . . . ?
C10 C16 C46 C162 -2.8(16) . . . . ?
C10 C16 C90 N20 -175.9(8) . . . . ?
C10 C16 C90 C166 5.4(15) . . . . ?
C10 C39 C183 C23 0.2(16) . . . . ?
C13 C81 C83 N37 4.6(18) . . . . ?
C13 C81 C196 C52 -2.1(17) . . . . ?
C16 C10 C39 C183 -175.2(9) . . . . ?
C16 C46 C162 C168 38.7(14) . . . . ?
C16 C46 C162 C190 -94.2(12) . . . . ?
C16 C90 C166 C14 -109.2(11) . . . . ?
C16 C90 C166 C30 121.7(10) . . . . ?
C18 N29 C208 C192 121.3(15) . . . . ?
C18 C56 C149 C148 -176.0(12) . . . . ?
C18 C56 C163 C68 176.3(11) . . . . ?
C19 C21 C78 C54 -177.3(10) . . . . ?
C19 C21 C78 C87 -0.5(16) . . . . ?
C20 C1 C10 C16 173.1(9) . . . . ?
C20 C1 C10 C39 -3.5(15) . . . . ?
C20 C23 C173 N39 1.7(19) . . . . ?
C20 C23 C183 C39 -0.1(16) . . . . ?
C21 C19 C230 C101 3.2(19) . . . . ?
C21 C19 C230 C151 175.4(11) . . . . ?
C21 C78 C87 C101 -0.3(17) . . . . ?
C22 N40 C250 C216 119.8(14) . . . . ?
C22 C38 C185 C147 179.1(11) . . . . ?
C22 C38 C189 C188 -175.7(11) . . . . ?
C24 N28 C200 C58 -85.8(14) . . . . ?
C24 N28 C256 C272 149.2(11) . . . . ?
C25 C172 C180 C154 1.1(18) . . . . ?
C26 N17 N18 Au7 171.1(6) . . . . ?
C26 N17 N18 C122 -1.3(10) . . . . ?
C26 C54 C78 C21 78.0(14) . . . . ?
C26 C54 C78 C87 -98.7(13) . . . . ?
C26 C54 C122 N18 -0.5(11) . . . . ?
C26 C54 C122 C270 175.9(10) . . . . ?
C28 N35 C143 C25 -179.6(9) . . . . ?
C32 N5 N6 Au1 170.1(6) . . . . ?
C32 N5 N6 C86 1.1(10) . . . . ?
C32 C50 C79 C68 84.5(14) . . . . ?
C32 C50 C79 C148 -94.8(14) . . . . ?
C32 C50 C86 N6 -1.3(10) . . . . ?
C32 C50 C86 C77 177.8(10) . . . . ?
C36 C95 C158 N23 -109.7(13) . . . . ?
C36 C95 C158 C286 69.4(17) . . . . ?
C37 C51 C197 C175 -3(2) . . . . ?
C37 C64 C204 C175 -1.7(19) . . . . ?
C37 C75 C174 N10 -170.5(9) . . . . ?
C37 C75 C174 C91 12.7(17) . . . . ?
C39 C10 C16 C46 -108.2(11) . . . . ?
C39 C10 C16 C90 65.9(13) . . . . ?
C40 C98 C102 N15 -0.7(11) . . . . ?
C40 C98 C102 C198 -178.4(9) . . . . ?
C41 C254 C262 C147 74.4(18) . . . . ?
C41 C254 C262 C188 -100.5(16) . . . . ?
C42 C160 C238 C106 -179.4(12) . . . . ?
C42 C160 C238 C112 -3.6(19) . . . . ?
C44 C93 C202 C278 -0.8(18) . . . . ?
C44 C98 C102 N15 -179.6(9) . . . . ?
C44 C98 C102 C198 2.8(16) . . . . ?
C44 C186 C222 C278 0.7(16) . . . . ?
C45 N36 C159 C72 111.5(12) . . . . ?
C46 N19 N20 Au11 -172.0(5) . . . . ?
C46 N19 N20 C90 -0.2(9) . . . . ?
C46 C16 C90 N20 -0.9(10) . . . . ?
C46 C16 C90 C166 -179.6(9) . . . . ?
C47 C49 C130 C97 177.5(11) . . . . ?
C47 C49 C130 C171 -3.1(18) . . . . ?
C48 N31 C228 C205 127.2(14) . . . . ?
C49 C47 C246 C82 179.0(11) . . . . ?
C49 C47 C246 C184 1.6(18) . . . . ?
C49 C130 C171 C184 3.4(18) . . . . ?
C50 C32 C214 C12 -86.8(13) . . . . ?
C50 C32 C214 C76 43.9(16) . . . . ?
C50 C79 C148 C149 180.0(12) . . . . ?
C51 C37 C64 C204 -1.4(18) . . . . ?
C51 C37 C75 C62 96.5(13) . . . . ?
C51 C37 C75 C174 -97.1(13) . . . . ?
C52 C128 C144 C13 -2.0(17) . . . . ?
C52 C128 C286 C43 73.2(14) . . . . ?
C52 C128 C286 C158 -96.3(15) . . . . ?
C53 N21 N22 Au12 -171.6(7) . . . . ?
C53 N21 N22 C41 0.5(11) . . . . ?
C53 C254 C262 C147 -96.8(16) . . . . ?
C53 C254 C262 C188 88.3(16) . . . . ?
C54 C26 C210 C73 -87.5(13) . . . . ?
C54 C26 C210 C105 39.0(15) . . . . ?
C54 C78 C87 C101 176.4(10) . . . . ?
C54 C122 C270 C80 -43.2(17) . . . . ?
C54 C122 C270 C201 87.3(13) . . . . ?
C58 N38 C151 C230 -177.1(11) . . . . ?
C60 C8 C136 C187 -1.1(18) . . . . ?
C60 C8 C136 C206 -176.5(10) . . . . ?
C60 C116 C155 N27 -177.5(12) . . . . ?
C62 N9 N10 Au6 -173.4(6) . . . . ?
C62 N9 N10 C174 -0.2(9) . . . . ?
C62 C75 C174 N10 -1.9(11) . . . . ?
C62 C75 C174 C91 -178.7(9) . . . . ?
C64 C37 C51 C197 3.9(18) . . . . ?
C64 C37 C75 C62 -84.9(14) . . . . ?
C64 C37 C75 C174 81.4(14) . . . . ?
C66 C84 C94 N14 -128.7(12) . . . . ?
C66 C84 C94 C70 48.8(16) . . . . ?
C68 C79 C148 C149 0.6(19) . . . . ?
C70 C154 C180 C172 -178.5(10) . . . . ?
C72 N30 C192 C208 -83.2(12) . . . . ?
C72 N30 C211 C248 142.5(11) . . . . ?
C75 C37 C51 C197 -177.6(11) . . . . ?
C75 C37 C64 C204 -179.9(10) . . . . ?
C75 C62 C99 C104 77.1(14) . . . . ?
C75 C62 C99 C236 -46.1(15) . . . . ?
C78 C54 C122 N18 174.7(9) . . . . ?
C78 C54 C122 C270 -8.9(17) . . . . ?
C78 C87 C101 C230 2.5(18) . . . . ?
C79 C50 C86 N6 -179.0(9) . . . . ?
C79 C50 C86 C77 0.1(17) . . . . ?
C79 C68 C163 C56 -0.2(19) . . . . ?
C79 C148 C149 C56 0(2) . . . . ?
C81 C13 C144 C128 -0.9(17) . . . . ?
C82 C114 C120 C118 -80.3(14) . . . . ?
C82 C114 C120 C224 50.0(15) . . . . ?
C82 C146 C165 C142 75.0(17) . . . . ?
C82 C146 C165 C280 -92.5(16) . . . . ?
C83 N37 C203 C240 116.2(12) . . . . ?
C83 C81 C196 C52 177.3(10) . . . . ?
C86 C50 C79 C68 -98.1(14) . . . . ?
C86 C50 C79 C148 82.5(15) . . . . ?
C87 C101 C230 C19 -3.9(19) . . . . ?
C87 C101 C230 C151 -176.0(11) . . . . ?
C89 N25 C226 C110 121.0(12) . . . . ?
C89 C5 C161 C179 179.4(11) . . . . ?
C89 C5 C191 C176 180.0(11) . . . . ?
C90 C16 C46 N19 0.8(10) . . . . ?
C90 C16 C46 C162 -177.6(9) . . . . ?
C92 C77 C86 N6 -95.4(12) . . . . ?
C92 C77 C86 C50 85.6(14) . . . . ?
C93 C44 C98 C40 88.2(14) . . . . ?
C93 C44 C98 C102 -93.2(14) . . . . ?
C93 C44 C186 C222 -3.8(14) . . . . ?
C93 C202 C278 C45 -179.0(10) . . . . ?
C93 C202 C278 C222 -2.7(16) . . . . ?
C94 C70 C150 N13 2.4(12) . . . . ?
C94 C70 C150 C88 179.4(10) . . . . ?
C94 C70 C154 C145 83.2(16) . . . . ?
C94 C70 C154 C180 -96.4(14) . . . . ?
C95 C158 C286 C43 -179.5(10) . . . . ?
C95 C158 C286 C128 -8.2(19) . . . . ?
C96 C112 C238 C106 179.9(12) . . . . ?
C96 C112 C238 C160 4.1(19) . . . . ?
C97 N32 C209 C199 111.4(13) . . . . ?
C97 C130 C171 C184 -177.1(12) . . . . ?
C98 C40 C152 C258 -59.7(16) . . . . ?
C98 C40 C152 C282 73.0(14) . . . . ?
C98 C44 C93 C202 175.8(11) . . . . ?
C98 C44 C186 C222 -176.3(10) . . . . ?
C98 C102 C198 C85 -118.9(11) . . . . ?
C98 C102 C198 C153 112.5(11) . . . . ?
C99 C62 C75 C37 -8.7(17) . . . . ?
C99 C62 C75 C174 -177.2(10) . . . . ?
C100 N27 C155 C116 -175.7(10) . . . . ?
C102 N15 N16 Au9 173.4(6) . . . . ?
C102 N15 N16 C40 -2.8(9) . . . . ?
C103 C3 C106 C138 -177.0(8) . . . . ?
C103 C3 C106 C238 3.6(15) . . . . ?
C106 C3 C103 C34 108.2(11) . . . . ?
C106 C3 C103 C207 -123.0(11) . . . . ?
C107 C88 C150 N13 -93.5(15) . . . . ?
C107 C88 C150 C70 89.9(17) . . . . ?
C110 N26 C205 C228 -87.4(13) . . . . ?
C110 N26 C216 C250 145.6(10) . . . . ?
C112 C96 C132 C42 2(2) . . . . ?
C112 C96 C132 C48 -179.8(13) . . . . ?
C114 C82 C146 N11 -2.0(11) . . . . ?
C114 C82 C146 C165 175.7(10) . . . . ?
C114 C82 C246 C47 80.9(15) . . . . ?
C114 C82 C246 C184 -101.9(14) . . . . ?
C116 C4 C187 C136 -5.7(19) . . . . ?
C122 C54 C78 C21 -96.2(13) . . . . ?
C122 C54 C78 C87 87.1(14) . . . . ?
C126 C167 C182 N1 82.0(15) . . . . ?
C126 C167 C182 C170 -95.7(16) . . . . ?
C128 C52 C196 C81 -0.9(18) . . . . ?
C130 C171 C184 C246 -1.4(19) . . . . ?
C132 C42 C160 C238 2(2) . . . . ?
C132 C96 C112 C238 -3(2) . . . . ?
C136 C8 C60 C116 -0.3(18) . . . . ?
C138 N7 N8 Au5 179.9(5) . . . . ?
C138 N7 N8 C3 -0.7(9) . . . . ?
C138 C106 C238 C112 -102.0(14) . . . . ?
C138 C106 C238 C160 73.5(15) . . . . ?
C140 N34 C272 C256 120.9(14) . . . . ?
C140 C175 C197 C51 -175.8(12) . . . . ?
C140 C175 C204 C64 178.5(11) . . . . ?
C143 N35 C28 C195 121.1(12) . . . . ?
C143 C25 C164 C145 -176.5(10) . . . . ?
C143 C25 C172 C180 177.6(10) . . . . ?
C144 C13 C81 C83 -176.4(10) . . . . ?
C144 C13 C81 C196 2.9(17) . . . . ?
C144 C128 C286 C43 -109.0(13) . . . . ?
C144 C128 C286 C158 81.5(15) . . . . ?
C145 C154 C180 C172 1.9(17) . . . . ?
C146 N11 N12 Au4 -170.5(6) . . . . ?
C146 N11 N12 C114 0.5(10) . . . . ?
C146 C82 C114 N12 2.3(11) . . . . ?
C146 C82 C114 C120 -176.7(10) . . . . ?
C146 C82 C246 C47 -93.9(15) . . . . ?
C146 C82 C246 C184 83.3(15) . . . . ?
C149 C56 C163 C68 0.7(18) . . . . ?
C150 N13 N14 Au8 171.5(6) . . . . ?
C150 N13 N14 C94 -3.0(10) . . . . ?
C150 C70 C94 N14 -4.2(12) . . . . ?
C150 C70 C94 C84 178.1(11) . . . . ?
C150 C70 C154 C145 -95.4(14) . . . . ?
C150 C70 C154 C180 85.0(15) . . . . ?
C151 N38 C58 C200 119.0(14) . . . . ?
C152 C40 C98 C44 -4.6(18) . . . . ?
C152 C40 C98 C102 176.5(10) . . . . ?
C154 C70 C94 N14 177.0(11) . . . . ?
C154 C70 C94 C84 -1(2) . . . . ?
C154 C70 C150 N13 -178.7(10) . . . . ?
C154 C70 C150 C88 -1.7(19) . . . . ?
C154 C145 C164 C25 -3.8(17) . . . . ?
C155 N27 C100 C24 117.4(13) . . . . ?
C156 C43 C286 C128 10.6(17) . . . . ?
C156 C43 C286 C158 -177.7(10) . . . . ?
C158 N23 N24 Au10 -168.8(6) . . . . ?
C158 N23 N24 C43 -1.6(11) . . . . ?
C159 N36 C45 C278 177.7(10) . . . . ?
C160 C42 C132 C48 -179.8(13) . . . . ?
C160 C42 C132 C96 -1(2) . . . . ?
C161 C5 C89 N25 5.1(19) . . . . ?
C161 C5 C191 C176 -0.4(18) . . . . ?
C161 C179 C215 C170 178.7(11) . . . . ?
C161 C179 C215 C176 -3.2(18) . . . . ?
C163 C56 C149 C148 -0.5(19) . . . . ?
C163 C68 C79 C50 -179.8(11) . . . . ?
C163 C68 C79 C148 -0.4(19) . . . . ?
C164 C25 C143 N35 8.3(18) . . . . ?
C164 C25 C172 C180 -5.6(19) . . . . ?
C164 C145 C154 C70 179.9(10) . . . . ?
C164 C145 C154 C180 -0.4(16) . . . . ?
C169 C53 C254 C41 179.0(12) . . . . ?
C169 C53 C254 C262 -8(2) . . . . ?
C171 C184 C246 C47 -1.2(18) . . . . ?
C171 C184 C246 C82 -178.5(12) . . . . ?
C172 C25 C143 N35 -175.0(12) . . . . ?
C172 C25 C164 C145 6.8(18) . . . . ?
C173 N39 C248 C211 130.2(13) . . . . ?
C173 C23 C183 C39 177.1(10) . . . . ?
C177 C74 C206 C9 177.4(11) . . . . ?
C177 C74 C206 C136 -7.1(18) . . . . ?
C178 C170 C182 N1 1.9(13) . . . . ?
C178 C170 C182 C167 179.8(12) . . . . ?
C178 C170 C215 C176 -96.0(15) . . . . ?
C178 C170 C215 C179 82.1(16) . . . . ?
C181 C11 C138 N7 61.9(12) . . . . ?
C181 C11 C138 C106 -121.4(11) . . . . ?
C182 N1 N2 Au2 172.2(7) . . . . ?
C182 N1 N2 C178 0.0(11) . . . . ?
C182 C170 C178 N2 -1.9(13) . . . . ?
C182 C170 C178 C124 -178.1(11) . . . . ?
C182 C170 C215 C176 82.5(15) . . . . ?
C182 C170 C215 C179 -99.4(15) . . . . ?
C183 C23 C173 N39 -175.4(11) . . . . ?
C185 C38 C189 C188 -2(2) . . . . ?
C185 C147 C262 C188 2(2) . . . . ?
C185 C147 C262 C254 -173.2(11) . . . . ?
C186 C44 C93 C202 3.9(16) . . . . ?
C186 C44 C98 C40 -100.5(13) . . . . ?
C186 C44 C98 C102 78.1(13) . . . . ?
C186 C222 C278 C45 179.1(10) . . . . ?
C186 C222 C278 C202 2.8(16) . . . . ?
C187 C4 C116 C60 4.2(19) . . . . ?
C187 C4 C116 C155 -173.1(11) . . . . ?
C187 C136 C206 C9 -89.2(16) . . . . ?
C187 C136 C206 C74 96.3(14) . . . . ?
C189 C38 C185 C147 6(2) . . . . ?
C189 C188 C262 C147 1.9(19) . . . . ?
C189 C188 C262 C254 177.0(11) . . . . ?
C191 C5 C89 N25 -175.3(12) . . . . ?
C191 C5 C161 C179 -0.3(18) . . . . ?
C191 C176 C215 C170 -179.3(10) . . . . ?
C191 C176 C215 C179 2.5(17) . . . . ?
C192 N30 C72 C159 147.9(10) . . . . ?
C192 N30 C211 C248 -90.6(13) . . . . ?
C193 C9 C206 C74 -173.3(13) . . . . ?
C193 C9 C206 C136 11(2) . . . . ?
C194 C41 C254 C53 -178.0(11) . . . . ?
C194 C41 C254 C262 9(2) . . . . ?
C195 N33 C199 C209 146.8(10) . . . . ?
C195 N33 C240 C203 -83.3(11) . . . . ?
C196 C52 C128 C144 3.0(18) . . . . ?
C196 C52 C128 C286 -179.1(10) . . . . ?
C196 C81 C83 N37 -174.8(11) . . . . ?
C197 C175 C204 C64 2.2(19) . . . . ?
C199 N33 C195 C28 -87.6(12) . . . . ?
C199 N33 C240 C203 150.0(10) . . . . ?
C200 N28 C24 C100 145.2(11) . . . . ?
C200 N28 C256 C272 -87.0(14) . . . . ?
C203 N37 C83 C81 179.5(10) . . . . ?
C204 C175 C197 C51 0(2) . . . . ?
C205 N26 C110 C226 147.8(12) . . . . ?
C205 N26 C216 C250 -84.4(13) . . . . ?
C206 C9 C193 C108 -84.6(18) . . . . ?
C206 C9 C193 C266 78.2(19) . . . . ?
C206 C74 C177 C260 84.0(14) . . . . ?
C206 C74 C177 C268 -53.4(17) . . . . ?
C206 C136 C187 C4 179.5(11) . . . . ?
C208 N29 C18 C56 -178.9(11) . . . . ?
C209 N32 C97 C130 -179.6(11) . . . . ?
C210 C26 C54 C78 0.8(17) . . . . ?
C210 C26 C54 C122 176.0(10) . . . . ?
C211 N30 C72 C159 -81.6(12) . . . . ?
C211 N30 C192 C208 148.3(11) . . . . ?
C212 C124 C178 N2 107.4(14) . . . . ?
C212 C124 C178 C170 -76.8(18) . . . . ?
C213 C91 C174 N10 80.3(13) . . . . ?
C213 C91 C174 C75 -103.2(14) . . . . ?
C214 C32 C50 C79 -3.0(16) . . . . ?
C214 C32 C50 C86 179.2(10) . . . . ?
C215 C170 C178 N2 176.8(10) . . . . ?
C215 C170 C178 C124 1(2) . . . . ?
C215 C170 C182 N1 -176.8(10) . . . . ?
C215 C170 C182 C167 1(2) . . . . ?
C215 C176 C191 C5 -0.8(19) . . . . ?
C216 N26 C110 C226 -83.3(14) . . . . ?
C216 N26 C205 C228 144.7(11) . . . . ?
C220 C11 C138 N7 -76.1(12) . . . . ?
C220 C11 C138 C106 100.7(13) . . . . ?
C226 N25 C89 C5 176.6(10) . . . . ?
C228 N31 C48 C132 -179.0(13) . . . . ?
C230 C19 C21 C78 -1.0(18) . . . . ?
C234 C84 C94 N14 109.1(12) . . . . ?
C234 C84 C94 C70 -73.4(15) . . . . ?
C238 C106 C138 N7 179.4(8) . . . . ?
C238 C106 C138 C11 2.4(16) . . . . ?
C240 N33 C195 C28 148.6(9) . . . . ?
C240 N33 C199 C209 -88.0(12) . . . . ?
C244 C88 C150 N13 87.1(15) . . . . ?
C244 C88 C150 C70 -89.5(16) . . . . ?
C246 C47 C49 C130 0.5(19) . . . . ?
C246 C82 C114 N12 -173.5(9) . . . . ?
C246 C82 C114 C120 7.5(18) . . . . ?
C246 C82 C146 N11 173.8(9) . . . . ?
C246 C82 C146 C165 -8.4(18) . . . . ?
C248 N39 C173 C23 -179.7(11) . . . . ?
C250 N40 C22 C38 178.5(11) . . . . ?
C252 C77 C86 N6 134.1(11) . . . . ?
C252 C77 C86 C50 -44.9(17) . . . . ?
C254 C41 C194 C157 -109.9(14) . . . . ?
C254 C41 C194 C232 115.7(14) . . . . ?
C254 C53 C169 C134 -79.1(17) . . . . ?
C254 C53 C169 C242 61.9(18) . . . . ?
C256 N28 C24 C100 -90.1(14) . . . . ?
C256 N28 C200 C58 147.5(12) . . . . ?
C262 C147 C185 C38 -6(2) . . . . ?
C262 C188 C189 C38 -1.7(19) . . . . ?
C264 C124 C178 N2 -102.6(15) . . . . ?
C264 C124 C178 C170 73.2(18) . . . . ?
C272 N34 C140 C175 -178.3(11) . . . . ?
C276 C95 C158 N23 103.3(14) . . . . ?
C276 C95 C158 C286 -77.5(16) . . . . ?
C284 C167 C182 N1 -82.6(16) . . . . ?
C284 C167 C182 C170 99.8(17) . . . . ?
C286 C43 C156 C218 -100.1(12) . . . . ?
C286 C43 C156 C274 76.2(14) . . . . ?
C286 C128 C144 C13 -179.9(10) . . . . ?
C15 C59 C225 C7 -142.4(15) . . . . ?
C15 C59 C225 C113 -1(2) . . . . ?
C15 C59 C29 C231 7(2) . . . . ?
C15 C59 C29 C233 149.2(13) . . . . ?
C15 C63 C69 C113 8(2) . . . . ?
C15 C63 C69 C241 139.3(15) . . . . ?
C15 C63 C259 C31 1.6(19) . . . . ?
C15 C63 C259 C33 -143.5(13) . . . . ?
C15 C249 C125 C251 -146.5(10) . . . . ?
C15 C249 C125 C231 -4.8(14) . . . . ?
C27 C217 C109 C219 0.0 . . . . ?
C27 C217 C109 C255 -140.0(8) . . . . ?
C27 C217 C245 C61 1.8(17) . . . . ?
C27 C217 C245 C2 139.3(9) . . . . ?
C27 C221 C65 C123 -143.7(13) . . . . ?
C27 C221 C65 C141 2.0(12) . . . . ?
C27 C281 C141 C65 3.2(11) . . . . ?
C27 C281 C141 C283 143.6(9) . . . . ?
C217 C27 C221 C55 0.0 . . . . ?
C217 C27 C221 C65 144.1(10) . . . . ?
C217 C27 C281 C35 -3.6(13) . . . . ?
C217 C27 C281 C141 -146.1(8) . . . . ?
C217 C109 C219 C55 0.0 . . . . ?
C217 C109 C219 C277 -151.7(12) . . . . ?
C217 C109 C255 C127 141.5(6) . . . . ?
C217 C109 C255 C2 0.8(7) . . . . ?
C217 C245 C2 C255 4.2(12) . . . . ?
C217 C245 C2 C257 -142.0(8) . . . . ?
C109 C217 C245 C61 -141.0(13) . . . . ?
C109 C217 C245 C2 -3.5(12) . . . . ?
C109 C219 C55 C221 0.0 . . . . ?
C109 C219 C55 C267 -150.7(12) . . . . ?
C109 C219 C277 C139 18(2) . . . . ?
C109 C219 C277 C229 154.7(11) . . . . ?
C109 C255 C2 C245 -3.2(10) . . . . ?
C109 C255 C2 C257 141.7(8) . . . . ?
C219 C109 C255 C127 1.1(9) . . . . ?
C219 C109 C255 C2 -139.6(6) . . . . ?
C219 C55 C221 C27 0.0 . . . . ?
C219 C55 C221 C65 -140.3(10) . . . . ?
C219 C55 C267 C251 138.7(12) . . . . ?
C219 C55 C267 C115 -3.0(18) . . . . ?
C55 C219 C277 C139 -132.6(17) . . . . ?
C55 C219 C277 C229 3.8(19) . . . . ?
C55 C221 C65 C123 0.4(18) . . . . ?
C55 C221 C65 C141 146.2(9) . . . . ?
C221 C27 C217 C109 0.0 . . . . ?
C221 C27 C217 C245 -139.1(9) . . . . ?
C221 C27 C281 C35 140.6(9) . . . . ?
C221 C27 C281 C141 -1.8(8) . . . . ?
C221 C55 C267 C251 -13.9(17) . . . . ?
C221 C55 C267 C115 -155.6(11) . . . . ?
C221 C65 C123 C247 138.7(13) . . . . ?
C221 C65 C123 C251 -13.1(17) . . . . ?
C221 C65 C141 C281 -3.3(13) . . . . ?
C221 C65 C141 C283 -145.8(9) . . . . ?
C57 C243 C275 C121 -143.3(13) . . . . ?
C57 C243 C275 C239 7(2) . . . . ?
C57 C131 C263 C241 14.8(14) . . . . ?
C57 C131 C263 C33 -136.8(12) . . . . ?
C57 C273 C137 C239 -2.4(15) . . . . ?
C57 C273 C137 C269 137.7(12) . . . . ?
C59 C15 C63 C69 -6(2) . . . . ?
C59 C15 C63 C259 140.8(15) . . . . ?
C59 C15 C249 C31 -138.3(17) . . . . ?
C59 C15 C249 C125 9(2) . . . . ?
C59 C225 C113 C69 2.8(15) . . . . ?
C59 C225 C113 C227 -137.1(12) . . . . ?
C59 C29 C233 C7 -2.2(12) . . . . ?
C59 C29 C233 C117 -146.7(11) . . . . ?
C61 C245 C2 C255 141.1(13) . . . . ?
C61 C245 C2 C257 -5.1(18) . . . . ?
C61 C135 C271 C17 141.5(11) . . . . ?
C61 C135 C271 C279 2.9(11) . . . . ?
C61 C35 C281 C27 2.8(14) . . . . ?
C61 C35 C281 C141 140.0(11) . . . . ?
C63 C15 C59 C225 3(3) . . . . ?
C63 C15 C59 C29 -141.4(14) . . . . ?
C63 C15 C249 C31 2.0(15) . . . . ?
C63 C15 C249 C125 149.2(10) . . . . ?
C63 C69 C113 C225 -6.9(18) . . . . ?
C63 C69 C113 C227 136.6(14) . . . . ?
C63 C69 C241 C67 -139.4(14) . . . . ?
C63 C69 C241 C263 5(2) . . . . ?
C63 C259 C33 C263 6.0(18) . . . . ?
C63 C259 C33 C265 154.5(12) . . . . ?
C65 C123 C247 C31 -149.9(11) . . . . ?
C65 C123 C247 C235 -3.9(15) . . . . ?
C65 C123 C251 C125 151.9(10) . . . . ?
C65 C123 C251 C267 11.7(13) . . . . ?
C65 C141 C283 C235 2.4(15) . . . . ?
C65 C141 C283 C71 139.6(11) . . . . ?
C67 C241 C263 C131 -14.6(19) . . . . ?
C67 C241 C263 C33 138.0(13) . . . . ?
C67 C243 C275 C121 2(2) . . . . ?
C67 C243 C275 C239 152.0(14) . . . . ?
C69 C63 C259 C31 146.5(13) . . . . ?
C69 C63 C259 C33 1(2) . . . . ?
C69 C113 C227 C67 0.3(12) . . . . ?
C69 C113 C227 C111 -142.8(10) . . . . ?
C69 C241 C263 C131 -150.9(12) . . . . ?
C69 C241 C263 C33 1.7(18) . . . . ?
C111 C223 C7 C225 0.0 . . . . ?
C111 C223 C7 C233 136.9(12) . . . . ?
C111 C223 C285 C119 0.7(18) . . . . ?
C111 C223 C285 C237 -139.5(18) . . . . ?
C111 C121 C275 C239 -158.0(12) . . . . ?
C111 C121 C275 C243 -6(2) . . . . ?
C223 C111 C227 C67 -141.4(11) . . . . ?
C223 C111 C227 C113 0.0 . . . . ?
C223 C111 C121 C119 -0.2(15) . . . . ?
C223 C111 C121 C275 149.3(12) . . . . ?
C223 C7 C225 C59 141.4(12) . . . . ?
C223 C7 C225 C113 0.0 . . . . ?
C223 C7 C233 C29 -139.4(11) . . . . ?
C223 C7 C233 C117 6.4(14) . . . . ?
C7 C223 C285 C119 146.0(12) . . . . ?
C7 C223 C285 C237 6(2) . . . . ?
C7 C225 C113 C69 140.0(11) . . . . ?
C7 C225 C113 C227 0.0 . . . . ?
C7 C233 C117 C229 -143.4(11) . . . . ?
C7 C233 C117 C237 -6.4(17) . . . . ?
C225 C59 C29 C231 -141.8(13) . . . . ?
C225 C59 C29 C233 0.7(15) . . . . ?
C225 C7 C233 C29 2.8(11) . . . . ?
C225 C7 C233 C117 148.6(9) . . . . ?
C225 C113 C227 C67 143.1(11) . . . . ?
C225 C113 C227 C111 0.0 . . . . ?
C113 C69 C241 C67 -2.1(14) . . . . ?
C113 C69 C241 C263 142.0(14) . . . . ?
C227 C67 C241 C69 2.4(15) . . . . ?
C227 C67 C241 C263 -140.3(15) . . . . ?
C227 C67 C243 C57 145.5(14) . . . . ?
C227 C67 C243 C275 -1(2) . . . . ?
C227 C111 C223 C7 0.0 . . . . ?
C227 C111 C223 C285 143.7(12) . . . . ?
C227 C111 C121 C119 -141.0(13) . . . . ?
C227 C111 C121 C275 8.6(19) . . . . ?
C119 C121 C275 C239 -13(2) . . . . ?
C119 C121 C275 C243 139.6(15) . . . . ?
C119 C253 C127 C139 4.9(14) . . . . ?
C119 C253 C127 C255 150.8(10) . . . . ?
C119 C253 C129 C239 -9.7(13) . . . . ?
C119 C253 C129 C257 -151.1(11) . . . . ?
C121 C111 C223 C7 -144.0(10) . . . . ?
C121 C111 C223 C285 -0.3(13) . . . . ?
C121 C111 C227 C67 -7.3(15) . . . . ?
C121 C111 C227 C113 134.1(13) . . . . ?
C121 C119 C253 C127 -143.5(13) . . . . ?
C121 C119 C253 C129 8.4(19) . . . . ?
C121 C119 C285 C223 -1(2) . . . . ?
C121 C119 C285 C237 141.4(17) . . . . ?
C123 C65 C141 C281 144.7(12) . . . . ?
C123 C65 C141 C283 2.2(17) . . . . ?
C123 C247 C31 C249 0.0 . . . . ?
C123 C247 C31 C259 137.7(12) . . . . ?
C123 C247 C235 C265 -134.4(14) . . . . ?
C123 C247 C235 C283 7.3(17) . . . . ?
C123 C251 C267 C55 1.3(19) . . . . ?
C123 C251 C267 C115 146.5(11) . . . . ?
C247 C123 C251 C125 0.0 . . . . ?
C247 C123 C251 C267 -140.2(11) . . . . ?
C247 C31 C249 C15 144.8(11) . . . . ?
C247 C31 C249 C125 0.0 . . . . ?
C247 C31 C259 C63 -143.5(11) . . . . ?
C247 C31 C259 C33 -3(2) . . . . ?
C247 C235 C265 C33 1(2) . . . . ?
C247 C235 C265 C133 141.6(14) . . . . ?
C247 C235 C283 C141 -6.8(17) . . . . ?
C247 C235 C283 C71 -150.0(10) . . . . ?
C31 C247 C235 C265 15.3(18) . . . . ?
C31 C247 C235 C283 157.0(9) . . . . ?
C31 C249 C125 C251 0.0 . . . . ?
C31 C249 C125 C231 141.8(12) . . . . ?
C31 C259 C33 C263 -130.7(14) . . . . ?
C31 C259 C33 C265 17.9(17) . . . . ?
C249 C15 C59 C225 134.5(16) . . . . ?
C249 C15 C59 C29 -10(2) . . . . ?
C249 C15 C63 C69 -149.2(12) . . . . ?
C249 C15 C63 C259 -2.1(18) . . . . ?
C249 C31 C259 C63 -0.2(13) . . . . ?
C249 C31 C259 C33 140.7(15) . . . . ?
C249 C125 C251 C123 0.0 . . . . ?
C249 C125 C251 C267 144.2(9) . . . . ?
C249 C125 C231 C115 -139.3(11) . . . . ?
C249 C125 C231 C29 2.4(14) . . . . ?
C125 C251 C267 C55 -142.8(14) . . . . ?
C125 C251 C267 C115 2.4(13) . . . . ?
C125 C231 C29 C59 -3.4(16) . . . . ?
C125 C231 C29 C233 -139.5(10) . . . . ?
C251 C123 C247 C31 0.0 . . . . ?
C251 C123 C247 C235 146.0(12) . . . . ?
C251 C125 C231 C115 7.3(9) . . . . ?
C251 C125 C231 C29 148.9(8) . . . . ?
C139 C237 C285 C223 141.1(17) . . . . ?
C139 C237 C285 C119 6(3) . . . . ?
C139 C127 C255 C109 14.4(12) . . . . ?
C139 C127 C255 C2 149.3(13) . . . . ?
C229 C115 C231 C125 138.3(10) . . . . ?
C229 C115 C231 C29 0.0 . . . . ?
C229 C115 C267 C55 7.1(19) . . . . ?
C229 C115 C267 C251 -140.9(10) . . . . ?
C229 C117 C237 C139 2(2) . . . . ?
C229 C117 C237 C285 148.6(17) . . . . ?
C115 C229 C117 C233 0.0 . . . . ?
C115 C229 C117 C237 -145.2(12) . . . . ?
C115 C229 C277 C219 0.0(19) . . . . ?
C115 C229 C277 C139 141.4(15) . . . . ?
C115 C231 C29 C59 136.1(14) . . . . ?
C115 C231 C29 C233 0.0 . . . . ?
C231 C125 C251 C123 -149.8(8) . . . . ?
C231 C125 C251 C267 -5.6(10) . . . . ?
C231 C115 C267 C55 149.8(12) . . . . ?
C231 C115 C267 C251 1.8(13) . . . . ?
C231 C29 C233 C7 144.6(11) . . . . ?
C231 C29 C233 C117 0.0 . . . . ?
C29 C59 C225 C7 1.0(16) . . . . ?
C29 C59 C225 C113 142.7(12) . . . . ?
C29 C233 C117 C229 0.0 . . . . ?
C29 C233 C117 C237 137.0(15) . . . . ?
C233 C7 C225 C59 -2.2(12) . . . . ?
C233 C7 C225 C113 -143.6(10) . . . . ?
C233 C117 C237 C139 -141.0(15) . . . . ?
C233 C117 C237 C285 6(3) . . . . ?
C117 C229 C115 C231 0.0 . . . . ?
C117 C229 C115 C267 137.5(13) . . . . ?
C117 C229 C277 C219 -146.6(12) . . . . ?
C117 C229 C277 C139 -5.1(19) . . . . ?
C117 C237 C285 C223 -6(3) . . . . ?
C117 C237 C285 C119 -140.8(17) . . . . ?
C235 C247 C31 C249 -152.0(10) . . . . ?
C235 C247 C31 C259 -14.3(14) . . . . ?
C235 C265 C133 C261 -144.1(11) . . . . ?
C235 C265 C133 C71 0.5(11) . . . . ?
C235 C283 C71 C133 3.5(11) . . . . ?
C235 C283 C71 C279 147.2(10) . . . . ?
C237 C139 C127 C253 -5(2) . . . . ?
C237 C139 C127 C255 -153.4(14) . . . . ?
C237 C139 C277 C219 142.7(18) . . . . ?
C237 C139 C277 C229 5(2) . . . . ?
C241 C67 C227 C111 142.5(10) . . . . ?
C241 C67 C227 C113 -1.8(13) . . . . ?
C241 C67 C243 C57 8(2) . . . . ?
C241 C67 C243 C275 -137.6(14) . . . . ?
C241 C69 C113 C225 -142.3(11) . . . . ?
C241 C69 C113 C227 1.3(13) . . . . ?
C241 C263 C33 C259 -7.5(14) . . . . ?
C241 C263 C33 C265 -151.8(12) . . . . ?
C243 C57 C131 C261 -145.2(14) . . . . ?
C243 C57 C131 C263 -4(2) . . . . ?
C243 C57 C273 C17 153.4(12) . . . . ?
C243 C57 C273 C137 10.7(18) . . . . ?
C243 C67 C227 C111 2.9(18) . . . . ?
C243 C67 C227 C113 -141.5(13) . . . . ?
C243 C67 C241 C69 145.1(13) . . . . ?
C243 C67 C241 C263 2(2) . . . . ?
C245 C217 C109 C219 141.8(10) . . . . ?
C245 C217 C109 C255 1.7(10) . . . . ?
C245 C61 C135 C269 -5(2) . . . . ?
C245 C61 C135 C271 -147.2(14) . . . . ?
C245 C61 C35 C279 143.9(15) . . . . ?
C245 C61 C35 C281 0(2) . . . . ?
C245 C2 C257 C129 144.0(10) . . . . ?
C245 C2 C257 C269 0.7(11) . . . . ?
C253 C119 C121 C111 149.4(13) . . . . ?
C253 C119 C121 C275 3(3) . . . . ?
C253 C119 C285 C223 -148.0(13) . . . . ?
C253 C119 C285 C237 -6(3) . . . . ?
C253 C127 C255 C109 -135.0(8) . . . . ?
C253 C127 C255 C2 0.0 . . . . ?
C127 C139 C237 C117 145.2(16) . . . . ?
C127 C139 C237 C285 -1(3) . . . . ?
C127 C139 C277 C219 -2(4) . . . . ?
C127 C139 C277 C229 -139(2) . . . . ?
C127 C253 C129 C239 141.4(11) . . . . ?
C127 C253 C129 C257 0.0 . . . . ?
C127 C255 C2 C245 -144.9(10) . . . . ?
C127 C255 C2 C257 0.0 . . . . ?
C255 C109 C219 C55 135.3(8) . . . . ?
C255 C109 C219 C277 -16.5(12) . . . . ?
C255 C2 C257 C129 0.0 . . . . ?
C255 C2 C257 C269 -143.3(10) . . . . ?
C2 C257 C129 C239 -147.4(9) . . . . ?
C2 C257 C129 C253 0.0 . . . . ?
C2 C257 C269 C135 1.4(11) . . . . ?
C2 C257 C269 C137 144.2(8) . . . . ?
C257 C269 C135 C61 0.5(12) . . . . ?
C257 C269 C135 C271 138.7(9) . . . . ?
C257 C269 C137 C239 3.5(10) . . . . ?
C257 C269 C137 C273 -142.5(9) . . . . ?
C129 C239 C137 C269 -2.9(12) . . . . ?
C129 C239 C137 C273 141.7(9) . . . . ?
C129 C239 C275 C121 11(2) . . . . ?
C129 C239 C275 C243 -140.3(13) . . . . ?
C129 C253 C127 C139 -145.8(13) . . . . ?
C129 C253 C127 C255 0.0 . . . . ?
C129 C257 C269 C135 -145.7(7) . . . . ?
C129 C257 C269 C137 -2.9(9) . . . . ?
C259 C63 C69 C113 -137.1(15) . . . . ?
C259 C63 C69 C241 -6(2) . . . . ?
C259 C31 C249 C15 -1.2(12) . . . . ?
C259 C31 C249 C125 -146.0(9) . . . . ?
C259 C33 C265 C235 -16.9(14) . . . . ?
C259 C33 C265 C133 -151.3(10) . . . . ?
C261 C131 C263 C241 151.6(12) . . . . ?
C261 C131 C263 C33 0.0 . . . . ?
C261 C133 C71 C279 -1.4(12) . . . . ?
C261 C133 C71 C283 142.9(8) . . . . ?
C261 C17 C273 C57 -3.9(11) . . . . ?
C261 C17 C273 C137 140.0(10) . . . . ?
C131 C57 C243 C67 -8(2) . . . . ?
C131 C57 C243 C275 138.2(14) . . . . ?
C131 C57 C273 C17 -1.7(13) . . . . ?
C131 C57 C273 C137 -144.4(10) . . . . ?
C131 C261 C133 C265 0.0 . . . . ?
C131 C261 C133 C71 -143.2(11) . . . . ?
C131 C261 C17 C271 149.2(8) . . . . ?
C131 C261 C17 C273 8.1(9) . . . . ?
C131 C263 C33 C259 144.4(12) . . . . ?
C131 C263 C33 C265 0.0 . . . . ?
C263 C33 C265 C235 134.4(13) . . . . ?
C263 C33 C265 C133 0.0 . . . . ?
C33 C265 C133 C261 0.0 . . . . ?
C33 C265 C133 C71 144.6(10) . . . . ?
C265 C235 C283 C141 139.8(11) . . . . ?
C265 C235 C283 C71 -3.4(14) . . . . ?
C265 C133 C71 C279 -147.1(9) . . . . ?
C265 C133 C71 C283 -2.8(10) . . . . ?
C133 C261 C131 C57 140.7(10) . . . . ?
C133 C261 C131 C263 0.0 . . . . ?
C133 C261 C17 C271 2.0(12) . . . . ?
C133 C261 C17 C273 -139.2(9) . . . . ?
C267 C55 C221 C27 152.9(10) . . . . ?
C267 C55 C221 C65 12.6(12) . . . . ?
C267 C115 C231 C125 -5.9(12) . . . . ?
C267 C115 C231 C29 -144.2(11) . . . . ?
C269 C257 C129 C239 1.1(10) . . . . ?
C269 C257 C129 C253 148.5(8) . . . . ?
C269 C135 C271 C17 0.0 . . . . ?
C269 C135 C271 C279 -138.7(9) . . . . ?
C135 C61 C245 C217 137.7(14) . . . . ?
C135 C61 C245 C2 7(2) . . . . ?
C135 C61 C35 C279 -1.9(14) . . . . ?
C135 C61 C35 C281 -145.3(10) . . . . ?
C135 C269 C137 C239 146.0(10) . . . . ?
C135 C269 C137 C273 0.0 . . . . ?
C135 C271 C17 C261 -136.9(10) . . . . ?
C135 C271 C17 C273 0.0 . . . . ?
C135 C271 C279 C35 -4.0(9) . . . . ?
C135 C271 C279 C71 140.3(10) . . . . ?
C271 C17 C273 C57 -143.9(10) . . . . ?
C271 C17 C273 C137 0.0 . . . . ?
C271 C279 C35 C61 3.5(11) . . . . ?
C271 C279 C35 C281 145.8(9) . . . . ?
C271 C279 C71 C133 1.3(13) . . . . ?
C271 C279 C71 C283 -139.5(11) . . . . ?
C17 C261 C131 C57 -8.9(10) . . . . ?
C17 C261 C131 C263 -149.6(9) . . . . ?
C17 C261 C133 C265 142.9(11) . . . . ?
C17 C261 C133 C71 -0.3(12) . . . . ?
C17 C271 C279 C35 -143.8(9) . . . . ?
C17 C271 C279 C71 0.4(13) . . . . ?
C17 C273 C137 C239 -140.1(12) . . . . ?
C17 C273 C137 C269 0.0 . . . . ?
C273 C57 C243 C67 -158.8(12) . . . . ?
C273 C57 C243 C275 -12(2) . . . . ?
C273 C57 C131 C261 6.9(13) . . . . ?
C273 C57 C131 C263 148.3(9) . . . . ?
C137 C239 C129 C253 -144.6(9) . . . . ?
C137 C239 C129 C257 1.1(12) . . . . ?
C137 C239 C275 C121 153.2(13) . . . . ?
C137 C239 C275 C243 1(2) . . . . ?
C137 C269 C135 C61 -138.2(11) . . . . ?
C137 C269 C135 C271 0.0 . . . . ?
C275 C239 C129 C253 -0.7(18) . . . . ?
C275 C239 C129 C257 145.0(12) . . . . ?
C275 C239 C137 C269 -148.4(12) . . . . ?
C275 C239 C137 C273 -3.8(18) . . . . ?
C277 C219 C55 C221 148.2(13) . . . . ?
C277 C219 C55 C267 -2.5(15) . . . . ?
C277 C139 C237 C117 -5(2) . . . . ?
C277 C139 C237 C285 -150.7(18) . . . . ?
C277 C139 C127 C253 134(2) . . . . ?
C277 C139 C127 C255 -15(3) . . . . ?
C277 C229 C115 C231 -143.0(13) . . . . ?
C277 C229 C115 C267 -5.5(16) . . . . ?
C277 C229 C117 C233 147.0(12) . . . . ?
C277 C229 C117 C237 1.9(14) . . . . ?
C279 C271 C17 C261 -2.0(12) . . . . ?
C279 C271 C17 C273 135.0(10) . . . . ?
C279 C35 C281 C27 -137.3(11) . . . . ?
C279 C35 C281 C141 0.0 . . . . ?
C35 C61 C245 C217 -3(2) . . . . ?
C35 C61 C245 C2 -133.3(15) . . . . ?
C35 C61 C135 C269 141.5(10) . . . . ?
C35 C61 C135 C271 -0.7(13) . . . . ?
C35 C279 C71 C133 140.9(11) . . . . ?
C35 C279 C71 C283 0.0 . . . . ?
C35 C281 C141 C65 -140.4(11) . . . . ?
C35 C281 C141 C283 0.0 . . . . ?
C281 C27 C217 C109 140.4(10) . . . . ?
C281 C27 C217 C245 1.3(11) . . . . ?
C281 C27 C221 C55 -144.3(9) . . . . ?
C281 C27 C221 C65 -0.2(10) . . . . ?
C281 C141 C283 C235 -137.2(13) . . . . ?
C281 C141 C283 C71 0.0 . . . . ?
C141 C65 C123 C247 -1.7(17) . . . . ?
C141 C65 C123 C251 -153.5(11) . . . . ?
C141 C283 C71 C133 -143.7(10) . . . . ?
C141 C283 C71 C279 0.0 . . . . ?
C283 C235 C265 C33 -139.1(11) . . . . ?
C283 C235 C265 C133 1.9(14) . . . . ?
C71 C279 C35 C61 -142.2(11) . . . . ?
C71 C279 C35 C281 0.0 . . . . ?
C285 C223 C7 C225 -143.0(13) . . . . ?
C285 C223 C7 C233 -6.1(15) . . . . ?
C285 C119 C121 C111 1(2) . . . . ?
C285 C119 C121 C275 -145.6(16) . . . . ?
C285 C119 C253 C127 0(2) . . . . ?
C285 C119 C253 C129 152.3(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.264 -0.790 -0.441 6739.4 2079.2 '26 C2Cl4'
2 0.331 0.366 0.349 35.0 0.0 ?
3 0.669 0.634 0.651 35.0 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 1.689
_oxdiff_exptl_absorpt_empirical_full_min 0.712
