# Electronic Supplementary Material (ESI) for Energy Advances.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_4c
_database_code_depnum_ccdc_archive 'CCDC 2110798'
loop_
_audit_author_name
_audit_author_address
'Peter Brueggeller'
;University of Innsbruck
Austria
;
_audit_update_record             
;
2021-09-20 deposited with the CCDC.	2023-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        1,3,5-fluoro
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C183 H140.25 Cu3 F36 N9 O12 P6, 3(B F4), 0.95(C4 H10 O), 0.86(C2 H3 N), 2(O)'
_chemical_formula_sum            'C188.52 H152.33 B3 Cu3 F48 N9.86 O14.95 P6'
_chemical_formula_weight         4115.92

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   25.6400(3)
_cell_length_b                   19.3584(2)
_cell_length_c                   41.4109(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.7070(6)
_cell_angle_gamma                90
_cell_volume                     20413.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9010
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      25.71

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_F_000             8384.3
_exptl_transmission_factor_min   0.922
_exptl_transmission_factor_max   0.960
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.459
_shelx_estimated_absorpt_T_min   0.922
_shelx_estimated_absorpt_T_max   0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.922
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_process_details   'Bruker SADABS-2014/5'
_exptl_absorpt_special_details   'Bruker SADABS-2014/5'
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec Microfocus'
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 10.4
_diffrn_reflns_number            272255
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         2.162
_diffrn_reflns_theta_max         23.500
_diffrn_reflns_theta_full        23.500
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             30193
_reflns_number_gt                21954
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker Apex III'
_computing_cell_refinement       'Bruker SAINT-V 8.34A'
_computing_data_reduction        'Bruker SAINT-V 8.34A'
_computing_structure_solution    'Bruker Apex III'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Shelxle
_computing_publication_material  SHELXL-2014/7
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0585P)²+22.7685P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     2021/8
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         29640
_refine_ls_number_parameters     2685
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0497
_refine_ls_wR_factor_ref         0.1255
_refine_ls_wR_factor_gt          0.1127
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Cu1 Cu 0.43450(2) 0.09087(2) 0.30405(2) 0.02875(11) Uani 1 1 d . . . . .
Cu2 Cu 0.01423(2) 0.30162(2) 0.29801(2) 0.02583(10) Uani 1 1 d . . . . .
Cu3 Cu 0.30506(2) 0.48114(2) 0.47160(2) 0.02860(11) Uani 1 1 d . . . . .
P1 P 0.37515(3) 0.04659(4) 0.33217(2) 0.0265(2) Uani 1 1 d . . . . .
P2 P 0.44548(3) 0.19841(5) 0.32086(2) 0.0254(2) Uani 1 1 d . . . . .
P3 P 0.07451(3) 0.22047(4) 0.30642(2) 0.0258(2) Uani 1 1 d . . . . .
P4 P 0.06156(3) 0.39410(4) 0.29053(2) 0.02380(19) Uani 1 1 d . . . . .
P5 P 0.36176(3) 0.52333(5) 0.44018(2) 0.0280(2) Uani 1 1 d . . . . .
P6 P 0.23082(3) 0.46715(5) 0.43846(2) 0.0280(2) Uani 1 1 d . . . . .
O1 O 0.30486(10) -0.03094(14) 0.37395(6) 0.0464(7) Uani 1 1 d . . . . .
O2 O 0.35617(10) -0.04331(13) 0.27721(6) 0.0463(7) Uani 1 1 d . . . . .
O3 O 0.51637(10) 0.13781(14) 0.37174(6) 0.0467(7) Uani 1 1 d . . . . .
O4 O 0.49072(10) 0.21183(14) 0.26139(6) 0.0427(6) Uani 1 1 d . . . . .
O5 O -0.01184(9) 0.13171(12) 0.28794(7) 0.0421(6) Uani 1 1 d . . . . .
O6 O 0.07266(11) 0.26396(15) 0.37245(6) 0.0501(7) Uani 1 1 d . . . . .
O7 O 0.12596(10) 0.52672(12) 0.29181(6) 0.0394(6) Uani 1 1 d . . . . .
O8 O -0.03734(8) 0.44286(12) 0.26165(6) 0.0323(6) Uani 1 1 d . . . . .
O9 O 0.43046(10) 0.52621(15) 0.49857(6) 0.0472(7) Uani 1 1 d . . . . .
O10 O 0.44366(11) 0.56259(16) 0.39721(7) 0.0544(8) Uani 1 1 d . . . . .
O11 O 0.20268(10) 0.39329(14) 0.49388(6) 0.0472(7) Uani 1 1 d . . . . .
O12 O 0.22026(10) 0.61393(12) 0.44280(6) 0.0414(6) Uani 1 1 d . . . . .
N1 N 0.35637(9) 0.17991(13) 0.35312(6) 0.0220(6) Uani 1 1 d . . . . .
N2 N 0.49616(11) 0.04282(15) 0.28814(7) 0.0327(7) Uani 1 1 d . . . . .
N3 N 0.40683(11) 0.08989(14) 0.25504(7) 0.0303(7) Uani 1 1 d . . . . .
N4 N 0.14837(9) 0.30893(13) 0.28481(6) 0.0237(6) Uani 1 1 d . . . . .
N5 N -0.03785(10) 0.28222(13) 0.25613(6) 0.0229(6) Uani 1 1 d . . . . .
N6 N -0.05256(10) 0.29615(14) 0.31876(7) 0.0294(7) Uani 1 1 d . . . . .
N7 N 0.29453(10) 0.48927(13) 0.38992(6) 0.0240(6) Uani 1 1 d . . . . .
N8 N 0.32525(11) 0.40233(14) 0.50435(6) 0.0286(7) Uani 1 1 d . . . . .
N9 N 0.30949(11) 0.53837(14) 0.51321(6) 0.0309(7) Uani 1 1 d . . . . .
F1 F 0.78072(15) -0.0214(2) 0.27302(12) 0.1329(15) Uani 1 1 d . . . . .
F2 F 0.81957(13) -0.0121(3) 0.31863(13) 0.179(2) Uani 1 1 d . . . . .
F3 F 0.78171(15) 0.0735(2) 0.29539(14) 0.158(2) Uani 1 1 d . . . . .
F4 F 0.7295(2) -0.0621(5) 0.41079(13) 0.179(3) Uani 0.86 1 d . . P . .
F5 F 0.6689(4) -0.0292(4) 0.41232(13) 0.153(3) Uani 0.69 1 d . . P . .
F6 F 0.6475(3) -0.1083(5) 0.40082(12) 0.163(3) Uani 0.79 1 d . . P . .
F7 F 0.7038(5) -0.1392(4) 0.39681(17) 0.165(4) Uani 0.66 1 d . . P . .
F8 F 0.20971(14) 0.0100(2) 0.11947(10) 0.1340(17) Uani 1 1 d . . . . .
F9 F 0.16156(14) 0.09691(19) 0.10437(8) 0.1169(14) Uani 1 1 d . . . . .
F10 F 0.14591(16) 0.0361(2) 0.14386(12) 0.1340(16) Uani 1 1 d . . . . .
F11 F 0.20236(13) 0.32297(14) 0.15512(7) 0.0843(9) Uani 1 1 d . . . . .
F12 F 0.17009(11) 0.29009(14) 0.19796(7) 0.0774(8) Uani 1 1 d . . . . .
F13 F 0.24824(10) 0.32866(12) 0.20152(6) 0.0670(7) Uani 1 1 d . . . . .
F14 F 0.08502(14) 0.2543(2) 0.11694(16) 0.138(2) Uani 0.91 1 d . . P . .
F14A F 0.0740(5) 0.1874(7) 0.1364(3) 0.073(4) Uiso 0.31 1 d . . P . .
F15 F 0.0602(2) 0.1561(3) 0.13281(15) 0.0821(16) Uani 0.68 1 d . . P . .
F16 F 0.0343(3) 0.1738(5) 0.0889(2) 0.121(4) Uani 0.64 1 d . . P . .
F16A F 0.0518(5) 0.2182(9) 0.0852(3) 0.143(7) Uani 0.46 1 d . . P . .
F17 F -0.12641(15) 0.31736(16) 0.05791(7) 0.0803(11) Uani 0.83 1 d . . P . .
F17A F -0.1666(5) 0.3340(7) 0.0850(3) 0.072(4) Uiso 0.25 1 d . . P . .
F18 F -0.0872(2) 0.4041(3) 0.07268(14) 0.0914(16) Uani 0.7 1 d . . P . .
F19 F -0.1097(4) 0.4095(6) 0.0838(3) 0.094(3) Uiso 0.42 1 d . . P . .
F19A F -0.1560(2) 0.3794(4) 0.09566(9) 0.134(3) Uani 0.8 1 d . . P . .
F20 F -0.20790(15) 0.4405(2) 0.43674(8) 0.0760(12) Uani 0.7067 1 d . . P . .
F21 F -0.19252(18) 0.3906(3) 0.48248(9) 0.121(2) Uani 0.7067 1 d . . P . .
F22 F -0.1402(3) 0.4644(4) 0.47186(17) 0.128(3) Uani 0.7067 1 d . . P . .
F22A F -0.1281(8) 0.5061(10) 0.4600(5) 0.151(9) Uani 0.2933 1 d . . P . .
F22B F -0.0447(5) 0.4748(7) 0.4752(3) 0.116(4) Uani 0.2933 1 d . . P . .
F22C F -0.0708(7) 0.5212(7) 0.4300(3) 0.150(6) Uani 0.2933 1 d . . P . .
F23 F -0.0401(3) 0.2373(5) 0.50412(12) 0.180(4) Uani 0.7067 1 d . . P . .
F23A F -0.0114(8) 0.1890(11) 0.4633(3) 0.180(10) Uani 0.45 1 d . . P . .
F23B F 0.0137(5) 0.2565(15) 0.4766(4) 0.334(15) Uani 0.5733 1 d . . P . .
F23C F -0.0633(10) 0.1631(10) 0.4765(5) 0.214(9) Uani 0.39 1 d . . P . .
F24 F -0.1859(6) 0.2578(12) 0.4868(3) 0.183(9) Uani 0.2933 1 d . . P . .
F24A F -0.1039(8) 0.2269(11) 0.4955(3) 0.167(8) Uani 0.2933 1 d . U P . .
F24B F -0.1564(8) 0.1808(12) 0.4590(4) 0.185(8) Uani 0.2933 1 d . . P . .
F25 F 0.4652(2) 0.0820(3) 0.57621(12) 0.152(2) Uani 0.88 1 d . . P . .
F26 F 0.5095(2) 0.1248(3) 0.5501(2) 0.159(3) Uani 0.83 1 d . . P . .
F26A F 0.5050(5) 0.0758(11) 0.5236(3) 0.153(6) Uani 0.39 1 d . . P . .
F27 F 0.4732(3) 0.0215(2) 0.54085(16) 0.162(3) Uani 0.9 1 d . . P . .
F28 F 0.34342(14) 0.02647(15) 0.44579(7) 0.0952(10) Uani 1 1 d . . . . .
F29 F 0.30119(12) 0.11888(13) 0.43281(6) 0.0748(8) Uani 1 1 d . . . . .
F30 F 0.27507(14) 0.05146(17) 0.46763(7) 0.0957(11) Uani 1 1 d . . . . .
F31 F 0.3283(3) 0.8566(3) 0.47663(11) 0.186(3) Uani 1 1 d . . . . .
F32 F 0.3288(3) 0.9383(2) 0.50948(13) 0.215(3) Uani 1 1 d . . . . .
F33 F 0.3922(3) 0.8727(3) 0.50943(15) 0.185(3) Uani 1 1 d . . . . .
F34 F 0.1947(3) 0.8206(7) 0.5994(3) 0.090(4) Uani 0.32 1 d . . P . .
F35 F 0.2292(2) 0.90288(19) 0.59923(11) 0.1389(18) Uani 0.97 1 d . . P . .
F36 F 0.2839(3) 0.8682(5) 0.62677(14) 0.215(4) Uani 0.87 1 d . . P . .
F37 F 0.2366(5) 0.8051(2) 0.6251(2) 0.212(5) Uani 0.84 1 d . . P . .
C1 C 0.29860(12) 0.28073(17) 0.35336(7) 0.0236(7) Uani 1 1 d . . . . .
C2 C 0.26535(12) 0.27043(17) 0.32456(8) 0.0243(7) Uani 1 1 d . . . . .
H2 H 0.2576 0.2246 0.3174 0.029 Uiso 1 1 calc R U . . .
C3 C 0.24340(11) 0.32494(17) 0.30627(7) 0.0225(7) Uani 1 1 d . . . . .
C4 C 0.25586(12) 0.39223(17) 0.31681(7) 0.0232(7) Uani 1 1 d . . . . .
H4 H 0.2416 0.4303 0.3042 0.028 Uiso 1 1 calc R U . . .
C5 C 0.28870(12) 0.40438(16) 0.34524(7) 0.0226(7) Uani 1 1 d . . . . .
C6 C 0.30998(12) 0.34831(16) 0.36330(8) 0.0241(7) Uani 1 1 d . . . . .
H6 H 0.3327 0.3563 0.3828 0.029 Uiso 1 1 calc R U . . .
C7 C 0.32077(13) 0.21878(17) 0.37201(8) 0.0268(8) Uani 1 1 d . . . . .
H7A H 0.3402 0.2340 0.3929 0.032 Uiso 1 1 calc R U . . .
H7B H 0.2917 0.1883 0.3770 0.032 Uiso 1 1 calc R U . . .
C8 C 0.36208(13) 0.10779(16) 0.36441(8) 0.0274(8) Uani 1 1 d . . . . .
H8A H 0.3295 0.0936 0.3733 0.033 Uiso 1 1 calc R U . . .
H8B H 0.3912 0.1052 0.3823 0.033 Uiso 1 1 calc R U . . .
C9 C 0.40619(12) 0.21766(17) 0.35423(8) 0.0247(7) Uani 1 1 d . . . . .
H9A H 0.4276 0.2071 0.3751 0.030 Uiso 1 1 calc R U . . .
H9B H 0.3985 0.2678 0.3540 0.030 Uiso 1 1 calc R U . . .
C10 C 0.38599(14) -0.03559(18) 0.35297(9) 0.0344(9) Uani 1 1 d . . . . .
C11 C 0.43196(16) -0.0711(2) 0.34905(10) 0.0496(11) Uani 1 1 d . . . . .
H11 H 0.4572 -0.0498 0.3372 0.060 Uiso 1 1 calc R U . . .
C12 C 0.4421(2) -0.1360(3) 0.36173(12) 0.0703(14) Uani 1 1 d . . . . .
H12 H 0.4737 -0.1593 0.3587 0.084 Uiso 1 1 calc R U . . .
C13 C 0.4059(2) -0.1662(3) 0.37869(13) 0.0761(16) Uani 1 1 d . . . . .
H13 H 0.4126 -0.2113 0.3873 0.091 Uiso 1 1 calc R U . . .
C14 C 0.3597(2) -0.1333(2) 0.38373(11) 0.0607(13) Uani 1 1 d . . . . .
H14 H 0.3351 -0.1553 0.3958 0.073 Uiso 1 1 calc R U . . .
C15 C 0.34973(16) -0.0674(2) 0.37084(9) 0.0419(10) Uani 1 1 d . . . . .
C16 C 0.26631(19) -0.0618(3) 0.39169(11) 0.0657(13) Uani 1 1 d . . . . .
H16A H 0.2363 -0.0305 0.3918 0.099 Uiso 1 1 calc R U . . .
H16B H 0.2817 -0.0707 0.4141 0.099 Uiso 1 1 calc R U . . .
H16C H 0.2545 -0.1055 0.3813 0.099 Uiso 1 1 calc R U . . .
C17 C 0.31306(13) 0.03753(17) 0.30612(8) 0.0307(8) Uani 1 1 d . . . . .
C18 C 0.31197(14) -0.00477(19) 0.27855(9) 0.0372(9) Uani 1 1 d . . . . .
C19 C 0.26852(17) -0.0061(2) 0.25498(10) 0.0522(11) Uani 1 1 d . . . . .
H19 H 0.2684 -0.0345 0.2363 0.063 Uiso 1 1 calc R U . . .
C20 C 0.22573(17) 0.0346(2) 0.25925(11) 0.0576(12) Uani 1 1 d . . . . .
H20 H 0.1964 0.0351 0.2429 0.069 Uiso 1 1 calc R U . . .
C21 C 0.22462(15) 0.0743(2) 0.28661(11) 0.0494(11) Uani 1 1 d . . . . .
H21 H 0.1942 0.1004 0.2897 0.059 Uiso 1 1 calc R U . . .
C22 C 0.26836(14) 0.07608(18) 0.30977(10) 0.0388(9) Uani 1 1 d . . . . .
H22 H 0.2677 0.1042 0.3285 0.047 Uiso 1 1 calc R U . . .
C23 C 0.3577(2) -0.0895(2) 0.25010(11) 0.0678(14) Uani 1 1 d . . . . .
H23A H 0.3557 -0.0627 0.2299 0.102 Uiso 1 1 calc R U . . .
H23B H 0.3278 -0.1213 0.2491 0.102 Uiso 1 1 calc R U . . .
H23C H 0.3905 -0.1159 0.2529 0.102 Uiso 1 1 calc R U . . .
C24 C 0.50883(12) 0.23424(18) 0.33752(8) 0.0289(8) Uani 1 1 d . . . . .
C25 C 0.53906(14) 0.1971(2) 0.36192(9) 0.0373(9) Uani 1 1 d . . . . .
C26 C 0.58860(15) 0.2201(2) 0.37387(10) 0.0536(12) Uani 1 1 d . . . . .
H26 H 0.6091 0.1951 0.3906 0.064 Uiso 1 1 calc R U . . .
C27 C 0.60802(16) 0.2792(3) 0.36150(12) 0.0615(13) Uani 1 1 d . . . . .
H27 H 0.6425 0.2941 0.3694 0.074 Uiso 1 1 calc R U . . .
C28 C 0.57879(15) 0.3174(2) 0.33795(11) 0.0535(11) Uani 1 1 d . . . . .
H28 H 0.5925 0.3588 0.3299 0.064 Uiso 1 1 calc R U . . .
C29 C 0.52926(14) 0.29452(19) 0.32614(9) 0.0360(9) Uani 1 1 d . . . . .
H29 H 0.5088 0.3207 0.3099 0.043 Uiso 1 1 calc R U . . .
C30 C 0.5446(2) 0.0976(3) 0.39651(12) 0.0774(16) Uani 1 1 d . . . . .
H30A H 0.5248 0.0554 0.3999 0.116 Uiso 1 1 calc R U . . .
H30B H 0.5496 0.1242 0.4168 0.116 Uiso 1 1 calc R U . . .
H30C H 0.5789 0.0852 0.3900 0.116 Uiso 1 1 calc R U . . .
C31 C 0.42157(13) 0.25574(18) 0.28735(8) 0.0287(8) Uani 1 1 d . . . . .
C32 C 0.44610(14) 0.25016(19) 0.25867(8) 0.0344(9) Uani 1 1 d . . . . .
C33 C 0.42485(15) 0.2824(2) 0.23036(9) 0.0406(9) Uani 1 1 d . . . . .
H33 H 0.4418 0.2793 0.2112 0.049 Uiso 1 1 calc R U . . .
C34 C 0.37859(16) 0.3193(2) 0.23025(9) 0.0427(10) Uani 1 1 d . . . . .
H34 H 0.3633 0.3404 0.2107 0.051 Uiso 1 1 calc R U . . .
C35 C 0.35433(14) 0.32592(19) 0.25807(9) 0.0395(9) Uani 1 1 d . . . . .
H35 H 0.3229 0.3520 0.2578 0.047 Uiso 1 1 calc R U . . .
C36 C 0.37612(13) 0.29412(18) 0.28661(9) 0.0328(8) Uani 1 1 d . . . . .
H36 H 0.3595 0.2989 0.3058 0.039 Uiso 1 1 calc R U . . .
C37 C 0.51687(17) 0.2029(2) 0.23299(10) 0.0567(12) Uani 1 1 d . . . . .
H37A H 0.4930 0.1806 0.2159 0.085 Uiso 1 1 calc R U . . .
H37B H 0.5480 0.1739 0.2383 0.085 Uiso 1 1 calc R U . . .
H37C H 0.5275 0.2480 0.2253 0.085 Uiso 1 1 calc R U . . .
C38 C 0.36277(13) 0.11328(18) 0.23889(8) 0.0319(8) Uani 1 1 d . . . . .
H38 H 0.3398 0.1396 0.2505 0.038 Uiso 1 1 calc R U . . .
C39 C 0.34799(14) 0.10157(18) 0.20575(8) 0.0321(8) Uani 1 1 d . . . . .
C40 C 0.38177(14) 0.06471(19) 0.18916(9) 0.0375(9) Uani 1 1 d . . . . .
H40 H 0.3730 0.0561 0.1666 0.045 Uiso 1 1 calc R U . . .
C41 C 0.42902(14) 0.03964(19) 0.20496(8) 0.0363(9) Uani 1 1 d . . . . .
C42 C 0.46649(16) 0.0017(2) 0.18939(10) 0.0495(11) Uani 1 1 d . . . . .
H42 H 0.4585 -0.0102 0.1671 0.059 Uiso 1 1 calc R U . . .
C43 C 0.51295(17) -0.0177(2) 0.20525(10) 0.0497(11) Uani 1 1 d . . . . .
H43 H 0.5375 -0.0416 0.1939 0.060 Uiso 1 1 calc R U . . .
C44 C 0.52581(14) -0.00290(19) 0.23914(9) 0.0374(9) Uani 1 1 d . . . . .
C45 C 0.57421(15) -0.0191(2) 0.25687(9) 0.0424(10) Uani 1 1 d . . . . .
H45 H 0.6010 -0.0402 0.2462 0.051 Uiso 1 1 calc R U . . .
C46 C 0.58318(13) -0.00460(18) 0.28972(9) 0.0352(9) Uani 1 1 d . . . . .
C47 C 0.54196(14) 0.02567(18) 0.30417(9) 0.0354(9) Uani 1 1 d . . . . .
H47 H 0.5473 0.0344 0.3269 0.042 Uiso 1 1 calc R U . . .
C48 C 0.48827(13) 0.03000(18) 0.25570(8) 0.0318(8) Uani 1 1 d . . . . .
C49 C 0.43998(13) 0.05375(17) 0.23833(8) 0.0298(8) Uani 1 1 d . . . . .
C50 C 0.29702(14) 0.12786(19) 0.18935(8) 0.0339(9) Uani 1 1 d . . . . .
C51 C 0.28008(14) 0.19422(19) 0.19450(8) 0.0360(9) Uani 1 1 d . . . . .
H51 H 0.3006 0.2237 0.2093 0.043 Uiso 1 1 calc R U . . .
C52 C 0.23338(15) 0.21801(19) 0.17825(9) 0.0377(9) Uani 1 1 d . . . . .
C53 C 0.20259(15) 0.1755(2) 0.15688(9) 0.0460(10) Uani 1 1 d . . . . .
H53 H 0.1706 0.1920 0.1456 0.055 Uiso 1 1 calc R U . . .
C54 C 0.21936(15) 0.1088(2) 0.15228(10) 0.0498(11) Uani 1 1 d . . . . .
C55 C 0.26567(15) 0.0847(2) 0.16810(9) 0.0432(10) Uani 1 1 d . . . . .
H55 H 0.2765 0.0387 0.1646 0.052 Uiso 1 1 calc R U . . .
C56 C 0.21388(17) 0.2893(2) 0.18308(11) 0.0519(11) Uani 1 1 d . . . . .
C57 C 0.1848(2) 0.0615(3) 0.13010(15) 0.0846(19) Uani 1 1 d . . . . .
C58 C 0.63413(14) -0.01691(19) 0.30947(10) 0.0404(9) Uani 1 1 d . . . . .
C59 C 0.68033(15) -0.0006(2) 0.29684(11) 0.0480(10) Uani 1 1 d . . . . .
H59 H 0.6791 0.0169 0.2753 0.058 Uiso 1 1 calc R U . . .
C60 C 0.72834(15) -0.0097(2) 0.31562(12) 0.0545(12) Uani 1 1 d . . . . .
C61 C 0.73049(17) -0.0338(2) 0.34704(12) 0.0560(12) Uani 1 1 d . . . . .
H61 H 0.7634 -0.0389 0.3600 0.067 Uiso 1 1 calc R U . . .
C62 C 0.68473(16) -0.0505(2) 0.35953(11) 0.0510(11) Uani 1 1 d . . . . .
C63 C 0.63672(15) -0.0433(2) 0.34086(10) 0.0449(10) Uani 1 1 d . . . . .
H63 H 0.6054 -0.0565 0.3495 0.054 Uiso 1 1 calc R U . . .
C64 C 0.77700(19) 0.0091(3) 0.30135(17) 0.0819(17) Uani 1 1 d . . . . .
C65 C 0.6867(2) -0.0771(4) 0.39334(14) 0.0778(16) Uani 1 1 d . . . . .
C66 C 0.20340(12) 0.31129(17) 0.27702(8) 0.0249(7) Uani 1 1 d . . . . .
H66A H 0.2064 0.3479 0.2607 0.030 Uiso 1 1 calc R U . . .
H66B H 0.2118 0.2667 0.2671 0.030 Uiso 1 1 calc R U . . .
C67 C 0.14176(12) 0.25407(17) 0.30832(8) 0.0259(8) Uani 1 1 d . . . . .
H67A H 0.1524 0.2720 0.3305 0.031 Uiso 1 1 calc R U . . .
H67B H 0.1656 0.2155 0.3045 0.031 Uiso 1 1 calc R U . . .
C68 C 0.13294(12) 0.37713(16) 0.29568(8) 0.0252(7) Uani 1 1 d . . . . .
H68A H 0.1504 0.4127 0.2835 0.030 Uiso 1 1 calc R U . . .
H68B H 0.1462 0.3823 0.3190 0.030 Uiso 1 1 calc R U . . .
C69 C 0.06800(13) 0.16555(17) 0.27088(8) 0.0293(8) Uani 1 1 d . . . . .
C70 C 0.01953(14) 0.13050(17) 0.26373(9) 0.0356(9) Uani 1 1 d . . . . .
C71 C 0.00701(17) 0.09875(19) 0.23413(10) 0.0446(10) Uani 1 1 d . . . . .
H71 H -0.0255 0.0751 0.2296 0.054 Uiso 1 1 calc R U . . .
C72 C 0.04163(19) 0.1012(2) 0.21116(10) 0.0511(12) Uani 1 1 d . . . . .
H72 H 0.0327 0.0795 0.1907 0.061 Uiso 1 1 calc R U . . .
C73 C 0.08956(17) 0.13506(19) 0.21749(9) 0.0451(10) Uani 1 1 d . . . . .
H73 H 0.1135 0.1361 0.2016 0.054 Uiso 1 1 calc R U . . .
C74 C 0.10193(15) 0.16736(18) 0.24744(8) 0.0359(9) Uani 1 1 d . . . . .
H74 H 0.1344 0.1911 0.2518 0.043 Uiso 1 1 calc R U . . .
C75 C -0.06391(15) 0.1048(2) 0.28148(12) 0.0572(12) Uani 1 1 d . . . . .
H75A H -0.0821 0.1275 0.2622 0.086 Uiso 1 1 calc R U . . .
H75B H -0.0831 0.1134 0.3002 0.086 Uiso 1 1 calc R U . . .
H75C H -0.0623 0.0549 0.2776 0.086 Uiso 1 1 calc R U . . .
C76 C 0.08356(14) 0.16445(18) 0.34188(9) 0.0343(9) Uani 1 1 d . . . . .
C77 C 0.08085(15) 0.1939(2) 0.37242(9) 0.0433(10) Uani 1 1 d . . . . .
C78 C 0.08676(18) 0.1534(3) 0.40015(10) 0.0624(13) Uani 1 1 d . . . . .
H78 H 0.0841 0.1731 0.4209 0.075 Uiso 1 1 calc R U . . .
C79 C 0.0968(2) 0.0832(3) 0.39695(13) 0.0815(17) Uani 1 1 d . . . . .
H79 H 0.1011 0.0550 0.4158 0.098 Uiso 1 1 calc R U . . .
C80 C 0.1004(2) 0.0542(3) 0.36760(13) 0.0778(16) Uani 1 1 d . . . . .
H80 H 0.1074 0.0062 0.3660 0.093 Uiso 1 1 calc R U . . .
C81 C 0.09382(17) 0.0945(2) 0.33999(11) 0.0536(12) Uani 1 1 d . . . . .
H81 H 0.0964 0.0739 0.3194 0.064 Uiso 1 1 calc R U . . .
C82 C 0.07046(18) 0.2986(3) 0.40269(10) 0.0660(14) Uani 1 1 d . . . . .
H82A H 0.0654 0.3482 0.3988 0.099 Uiso 1 1 calc R U . . .
H82B H 0.1034 0.2910 0.4168 0.099 Uiso 1 1 calc R U . . .
H82C H 0.0411 0.2804 0.4132 0.099 Uiso 1 1 calc R U . . .
C83 C 0.06056(13) 0.46963(17) 0.31693(8) 0.0289(8) Uani 1 1 d . . . . .
C84 C 0.09548(14) 0.52485(17) 0.31681(9) 0.0345(9) Uani 1 1 d . . . . .
C85 C 0.09724(17) 0.5751(2) 0.34120(10) 0.0463(11) Uani 1 1 d . . . . .
H85 H 0.1213 0.6125 0.3414 0.056 Uiso 1 1 calc R U . . .
C86 C 0.06408(19) 0.5701(2) 0.36467(10) 0.0539(12) Uani 1 1 d . . . . .
H86 H 0.0661 0.6038 0.3815 0.065 Uiso 1 1 calc R U . . .
C87 C 0.02798(18) 0.5179(2) 0.36456(9) 0.0512(11) Uani 1 1 d . . . . .
H87 H 0.0041 0.5164 0.3805 0.061 Uiso 1 1 calc R U . . .
C88 C 0.02687(15) 0.46683(19) 0.34062(8) 0.0379(9) Uani 1 1 d . . . . .
H88 H 0.0026 0.4297 0.3406 0.045 Uiso 1 1 calc R U . . .
C89 C 0.16626(16) 0.5778(2) 0.29280(12) 0.0551(12) Uani 1 1 d . . . . .
H89A H 0.1876 0.5696 0.2750 0.083 Uiso 1 1 calc R U . . .
H89B H 0.1886 0.5750 0.3137 0.083 Uiso 1 1 calc R U . . .
H89C H 0.1503 0.6237 0.2904 0.083 Uiso 1 1 calc R U . . .
C90 C 0.04678(12) 0.41923(16) 0.24810(8) 0.0255(8) Uani 1 1 d . . . . .
C91 C -0.00582(13) 0.43706(16) 0.23746(8) 0.0272(8) Uani 1 1 d . . . . .
C92 C -0.02225(14) 0.44626(18) 0.20470(9) 0.0365(9) Uani 1 1 d . . . . .
H92 H -0.0575 0.4593 0.1977 0.044 Uiso 1 1 calc R U . . .
C93 C 0.01298(16) 0.43633(19) 0.18236(9) 0.0417(10) Uani 1 1 d . . . . .
H93 H 0.0018 0.4429 0.1599 0.050 Uiso 1 1 calc R U . . .
C94 C 0.06396(15) 0.4171(2) 0.19205(9) 0.0409(9) Uani 1 1 d . . . . .
H94 H 0.0876 0.4100 0.1764 0.049 Uiso 1 1 calc R U . . .
C95 C 0.08071(14) 0.40820(17) 0.22486(8) 0.0314(8) Uani 1 1 d . . . . .
H95 H 0.1159 0.3944 0.2315 0.038 Uiso 1 1 calc R U . . .
C96 C -0.09203(13) 0.4569(2) 0.25257(10) 0.0413(10) Uani 1 1 d . . . . .
H96A H -0.0959 0.5018 0.2416 0.062 Uiso 1 1 calc R U . . .
H96B H -0.1103 0.4578 0.2721 0.062 Uiso 1 1 calc R U . . .
H96C H -0.1072 0.4207 0.2378 0.062 Uiso 1 1 calc R U . . .
C97 C -0.03016(13) 0.27840(16) 0.22522(8) 0.0257(8) Uani 1 1 d . . . . .
H97 H 0.0049 0.2805 0.2200 0.031 Uiso 1 1 calc R U . . .
C98 C -0.07090(12) 0.27135(16) 0.19958(8) 0.0252(7) Uani 1 1 d . . . . .
C99 C -0.12174(13) 0.26563(17) 0.20729(8) 0.0302(8) Uani 1 1 d . . . . .
H99 H -0.1500 0.2597 0.1905 0.036 Uiso 1 1 calc R U . . .
C100 C -0.13159(12) 0.26852(17) 0.24002(8) 0.0281(8) Uani 1 1 d . . . . .
C101 C -0.18242(13) 0.2634(2) 0.25041(9) 0.0403(10) Uani 1 1 d . . . . .
H101 H -0.2118 0.2548 0.2347 0.048 Uiso 1 1 calc R U . . .
C102 C -0.19009(14) 0.2703(2) 0.28173(9) 0.0441(10) Uani 1 1 d . . . . .
H102 H -0.2247 0.2674 0.2877 0.053 Uiso 1 1 calc R U . . .
C103 C -0.14696(13) 0.28209(18) 0.30640(8) 0.0312(8) Uani 1 1 d . . . . .
C104 C -0.15206(14) 0.2907(2) 0.33936(9) 0.0384(9) Uani 1 1 d . . . . .
H104 H -0.1860 0.2907 0.3465 0.046 Uiso 1 1 calc R U . . .
C105 C -0.10847(14) 0.2991(2) 0.36142(8) 0.0386(9) Uani 1 1 d . . . . .
C106 C -0.05932(14) 0.30185(19) 0.34980(8) 0.0363(9) Uani 1 1 d . . . . .
H106 H -0.0291 0.3081 0.3651 0.044 Uiso 1 1 calc R U . . .
C107 C -0.09610(12) 0.28551(16) 0.29692(8) 0.0250(7) Uani 1 1 d . . . . .
C108 C -0.08814(12) 0.27842(16) 0.26354(8) 0.0231(7) Uani 1 1 d . . . . .
C109 C -0.05933(13) 0.27332(17) 0.16534(8) 0.0277(8) Uani 1 1 d . . . . .
C110 C -0.01412(13) 0.24284(18) 0.15637(8) 0.0326(8) Uani 1 1 d . . . . .
H110 H 0.0093 0.2195 0.1722 0.039 Uiso 1 1 calc R U . . .
C111 C -0.00299(14) 0.2463(2) 0.12441(9) 0.0385(9) Uani 1 1 d . . . . .
C112 C -0.03583(15) 0.2811(2) 0.10122(9) 0.0397(9) Uani 1 1 d . . . . .
H112 H -0.0277 0.2842 0.0795 0.048 Uiso 1 1 calc R U . . .
C113 C -0.08106(14) 0.31178(19) 0.11010(9) 0.0360(9) Uani 1 1 d . . . . .
C114 C -0.09262(14) 0.30820(18) 0.14160(8) 0.0316(8) Uani 1 1 d . . . . .
H114 H -0.1236 0.3297 0.1473 0.038 Uiso 1 1 calc R U . . .
C115 C 0.04540(17) 0.2126(3) 0.11491(10) 0.0578(13) Uani 1 1 d . . . . .
C116 C -0.11565(18) 0.3497(2) 0.08491(10) 0.0476(11) Uani 1 1 d . . . . .
C117 C -0.1400(2) 0.3527(3) 0.40969(13) 0.0413(13) Uani 0.75 1 d . . P . .
H117 H -0.162(2) 0.380(3) 0.3958(15) 0.07(2) Uiso 0.75 1 d . . P . .
C118 C -0.1382(2) 0.3620(4) 0.44328(16) 0.0558(19) Uani 0.75 1 d . . P . .
C119 C -0.1053(3) 0.3224(6) 0.46441(17) 0.062(2) Uani 0.75 1 d . . P . .
H119 H -0.101(2) 0.331(3) 0.4875(15) 0.052(16) Uiso 0.75 1 d . . P . .
C120 C -0.0745(3) 0.2738(4) 0.45226(14) 0.074(2) Uani 0.75 1 d . . P . .
C121 C -0.0758(3) 0.2634(4) 0.41902(14) 0.0594(17) Uani 0.75 1 d . . P . .
H121 H -0.054(2) 0.223(3) 0.4100(13) 0.062(17) Uiso 0.75 1 d . . P . .
C122 C -0.11011(16) 0.3081(3) 0.39710(10) 0.0526(12) Uani 1 1 d . . . . .
C123 C -0.1692(3) 0.4162(5) 0.45729(16) 0.082(2) Uani 0.75 1 d . . P . .
C124 C -0.0371(6) 0.2289(8) 0.4751(2) 0.140(5) Uani 0.75 1 d . . P . .
C125 C -0.1298(6) 0.2728(13) 0.4152(4) 0.066(6) Uani 0.25 1 d . . P . .
C126 C -0.1284(8) 0.2886(11) 0.4501(5) 0.060(5) Uiso 0.25 1 d . . P . .
C127 C -0.1017(8) 0.4068(13) 0.4391(4) 0.064(6) Uani 0.25 1 d . . P . .
C128 C -0.1155(12) 0.3597(15) 0.4597(8) 0.062(8) Uiso 0.25 1 d . . P . .
C129 C -0.0905(15) 0.4762(14) 0.4526(5) 0.108(10) Uani 0.25 1 d . . P . .
C130 C -0.1013(8) 0.3916(12) 0.4051(4) 0.071(6) Uani 0.25 1 d . . P . .
C131 C -0.1429(11) 0.243(2) 0.4731(6) 0.107(10) Uani 0.25 1 d . . P . .
C132 C 0.30221(13) 0.47703(17) 0.35590(7) 0.0261(7) Uani 1 1 d . . . . .
H12A H 0.3393 0.4864 0.3530 0.031 Uiso 1 1 calc R U . . .
H12B H 0.2800 0.5096 0.3419 0.031 Uiso 1 1 calc R U . . .
C133 C 0.32191(13) 0.55189(17) 0.40298(8) 0.0282(8) Uani 1 1 d . . . . .
H12C H 0.2964 0.5877 0.4079 0.034 Uiso 1 1 calc R U . . .
H12D H 0.3444 0.5710 0.3873 0.034 Uiso 1 1 calc R U . . .
C134 C 0.23918(12) 0.48814(17) 0.39545(7) 0.0248(7) Uani 1 1 d . . . . .
H12E H 0.2203 0.4534 0.3809 0.030 Uiso 1 1 calc R U . . .
H12F H 0.2233 0.5339 0.3899 0.030 Uiso 1 1 calc R U . . .
C135 C 0.39629(14) 0.59997(19) 0.45689(8) 0.0354(9) Uani 1 1 d . . . . .
C136 C 0.39081(16) 0.6654(2) 0.44335(9) 0.0452(10) Uani 1 1 d . . . . .
H136 H 0.3695 0.6717 0.4232 0.054 Uiso 1 1 calc R U . . .
C137 C 0.41599(19) 0.7217(2) 0.45874(12) 0.0638(13) Uani 1 1 d . . . . .
H137 H 0.4124 0.7661 0.4490 0.077 Uiso 1 1 calc R U . . .
C138 C 0.4458(2) 0.7135(3) 0.48784(12) 0.0719(15) Uani 1 1 d . . . . .
H138 H 0.4626 0.7525 0.4984 0.086 Uiso 1 1 calc R U . . .
C139 C 0.45217(18) 0.6487(3) 0.50231(11) 0.0618(13) Uani 1 1 d . . . . .
H139 H 0.4733 0.6433 0.5226 0.074 Uiso 1 1 calc R U . . .
C140 C 0.42721(14) 0.5919(2) 0.48673(9) 0.0410(10) Uani 1 1 d . . . . .
C141 C 0.45592(17) 0.5152(3) 0.53089(9) 0.0583(12) Uani 1 1 d . . . . .
H13A H 0.4542 0.4661 0.5364 0.087 Uiso 1 1 calc R U . . .
H13B H 0.4382 0.5425 0.5463 0.087 Uiso 1 1 calc R U . . .
H13C H 0.4927 0.5296 0.5320 0.087 Uiso 1 1 calc R U . . .
C142 C 0.41113(13) 0.46915(19) 0.42444(8) 0.0316(8) Uani 1 1 d . . . . .
C143 C 0.44693(14) 0.4941(2) 0.40428(9) 0.0407(10) Uani 1 1 d . . . . .
C144 C 0.48265(16) 0.4491(3) 0.39264(9) 0.0530(12) Uani 1 1 d . . . . .
H144 H 0.5072 0.4660 0.3791 0.064 Uiso 1 1 calc R U . . .
C145 C 0.48260(17) 0.3796(3) 0.40081(10) 0.0538(12) Uani 1 1 d . . . . .
H145 H 0.5068 0.3491 0.3925 0.065 Uiso 1 1 calc R U . . .
C146 C 0.44802(15) 0.3548(2) 0.42066(9) 0.0438(10) Uani 1 1 d . . . . .
H146 H 0.4482 0.3072 0.4263 0.053 Uiso 1 1 calc R U . . .
C147 C 0.41274(14) 0.39955(19) 0.43249(9) 0.0364(9) Uani 1 1 d . . . . .
H147 H 0.3890 0.3822 0.4465 0.044 Uiso 1 1 calc R U . . .
C148 C 0.4852(2) 0.5958(3) 0.38337(14) 0.0796(16) Uani 1 1 d . . . . .
H14A H 0.4840 0.5828 0.3604 0.119 Uiso 1 1 calc R U . . .
H14B H 0.5190 0.5815 0.3951 0.119 Uiso 1 1 calc R U . . .
H14C H 0.4814 0.6460 0.3851 0.119 Uiso 1 1 calc R U . . .
C149 C 0.21339(13) 0.37555(18) 0.43916(8) 0.0315(8) Uani 1 1 d . . . . .
C150 C 0.21489(14) 0.33088(19) 0.41310(10) 0.0383(9) Uani 1 1 d . . . . .
H150 H 0.2205 0.3492 0.3925 0.046 Uiso 1 1 calc R U . . .
C151 C 0.20850(15) 0.2604(2) 0.41631(11) 0.0484(11) Uani 1 1 d . . . . .
H151 H 0.2099 0.2308 0.3981 0.058 Uiso 1 1 calc R U . . .
C152 C 0.20012(16) 0.2333(2) 0.44588(12) 0.0552(12) Uani 1 1 d . . . . .
H152 H 0.1961 0.1848 0.4482 0.066 Uiso 1 1 calc R U . . .
C153 C 0.19751(15) 0.2763(2) 0.47248(11) 0.0506(11) Uani 1 1 d . . . . .
H153 H 0.1910 0.2574 0.4928 0.061 Uiso 1 1 calc R U . . .
C154 C 0.20439(14) 0.3468(2) 0.46932(9) 0.0404(9) Uani 1 1 d . . . . .
C155 C 0.1979(2) 0.3685(3) 0.52563(10) 0.0680(14) Uani 1 1 d . . . . .
H15A H 0.1632 0.3476 0.5261 0.102 Uiso 1 1 calc R U . . .
H15B H 0.2021 0.4071 0.5411 0.102 Uiso 1 1 calc R U . . .
H15C H 0.2251 0.3338 0.5317 0.102 Uiso 1 1 calc R U . . .
C156 C 0.16998(14) 0.5133(2) 0.44298(8) 0.0341(9) Uani 1 1 d . . . . .
C157 C 0.12273(14) 0.4809(2) 0.44578(8) 0.0416(10) Uani 1 1 d . . . . .
H157 H 0.1207 0.4319 0.4449 0.050 Uiso 1 1 calc R U . . .
C158 C 0.07782(16) 0.5192(3) 0.44992(9) 0.0537(12) Uani 1 1 d . . . . .
H158 H 0.0457 0.4963 0.4523 0.064 Uiso 1 1 calc R U . . .
C159 C 0.08042(18) 0.5897(3) 0.45053(9) 0.0566(13) Uani 1 1 d . . . . .
H159 H 0.0497 0.6158 0.4529 0.068 Uiso 1 1 calc R U . . .
C160 C 0.12691(17) 0.6235(2) 0.44779(9) 0.0482(11) Uani 1 1 d . . . . .
H160 H 0.1282 0.6725 0.4482 0.058 Uiso 1 1 calc R U . . .
C161 C 0.17194(15) 0.5857(2) 0.44447(8) 0.0379(9) Uani 1 1 d . . . . .
C162 C 0.2240(2) 0.6879(2) 0.44119(11) 0.0602(12) Uani 1 1 d . . . . .
H16D H 0.2602 0.7011 0.4386 0.090 Uiso 1 1 calc R U . . .
H16E H 0.2140 0.7081 0.4613 0.090 Uiso 1 1 calc R U . . .
H16F H 0.2004 0.7050 0.4226 0.090 Uiso 1 1 calc R U . . .
C163 C 0.33496(14) 0.33621(18) 0.49993(8) 0.0327(8) Uani 1 1 d . . . . .
H163 H 0.3306 0.3189 0.4783 0.039 Uiso 1 1 calc R U . . .
C164 C 0.35137(14) 0.28987(18) 0.52527(8) 0.0348(9) Uani 1 1 d . . . . .
C165 C 0.35674(16) 0.31429(19) 0.55650(9) 0.0419(10) Uani 1 1 d . . . . .
H165 H 0.3673 0.2841 0.5741 0.050 Uiso 1 1 calc R U . . .
C166 C 0.34651(16) 0.38404(19) 0.56228(8) 0.0396(9) Uani 1 1 d . . . . .
C167 C 0.35139(19) 0.4139(2) 0.59431(9) 0.0540(12) Uani 1 1 d . . . . .
H167 H 0.3607 0.3854 0.6127 0.065 Uiso 1 1 calc R U . . .
C168 C 0.34302(19) 0.4812(2) 0.59850(9) 0.0535(12) Uani 1 1 d . . . . .
H168 H 0.3461 0.4994 0.6199 0.064 Uiso 1 1 calc R U . . .
C169 C 0.32947(16) 0.52681(19) 0.57154(8) 0.0403(9) Uani 1 1 d . . . . .
C170 C 0.32267(17) 0.5976(2) 0.57474(9) 0.0454(10) Uani 1 1 d . . . . .
H170 H 0.3261 0.6178 0.5958 0.055 Uiso 1 1 calc R U . . .
C171 C 0.31107(15) 0.63854(18) 0.54778(8) 0.0367(9) Uani 1 1 d . . . . .
C172 C 0.30469(15) 0.60527(18) 0.51735(8) 0.0364(9) Uani 1 1 d . . . . .
H172 H 0.2964 0.6330 0.4985 0.044 Uiso 1 1 calc R U . . .
C173 C 0.32270(14) 0.49873(18) 0.54004(8) 0.0317(8) Uani 1 1 d . . . . .
C174 C 0.33110(14) 0.42649(17) 0.53547(8) 0.0306(8) Uani 1 1 d . . . . .
C175 C 0.36517(16) 0.21733(18) 0.51744(9) 0.0381(9) Uani 1 1 d . . . . .
C176 C 0.33654(16) 0.18209(18) 0.49226(8) 0.0381(9) Uani 1 1 d . . . . .
H176 H 0.3069 0.2034 0.4804 0.046 Uiso 1 1 calc R U . . .
C177 C 0.35092(17) 0.11558(19) 0.48425(9) 0.0419(10) Uani 1 1 d . . . . .
C178 C 0.39391(17) 0.0840(2) 0.50119(9) 0.0477(11) Uani 1 1 d . . . . .
H178 H 0.4037 0.0387 0.4956 0.057 Uiso 1 1 calc R U . . .
C179 C 0.42258(17) 0.1188(2) 0.52642(10) 0.0494(11) Uani 1 1 d . . . . .
C180 C 0.40810(17) 0.18488(19) 0.53465(10) 0.0461(10) Uani 1 1 d . . . . .
H180 H 0.4277 0.2082 0.5522 0.055 Uiso 1 1 calc R U . . .
C181 C 0.3182(2) 0.0776(2) 0.45779(10) 0.0566(12) Uani 1 1 d . . . . .
C182 C 0.4700(3) 0.0862(3) 0.54459(15) 0.0768(16) Uani 1 1 d . . . . .
C183 C 0.30470(15) 0.71419(18) 0.55008(8) 0.0374(9) Uani 1 1 d . . . . .
C184 C 0.27958(14) 0.74325(19) 0.57502(9) 0.0370(9) Uani 1 1 d . . . . .
H184 H 0.2660 0.7141 0.5905 0.044 Uiso 1 1 calc R U . . .
C185 C 0.27442(17) 0.81375(19) 0.57726(10) 0.0465(10) Uani 1 1 d . . . . .
C186 C 0.29353(19) 0.8576(2) 0.55513(10) 0.0574(12) Uani 1 1 d . . . . .
H186 H 0.2897 0.9062 0.5568 0.069 Uiso 1 1 calc R U . . .
C187 C 0.3186(2) 0.8286(2) 0.53039(11) 0.0643(13) Uani 1 1 d . U . . .
C188 C 0.32374(19) 0.7584(2) 0.52785(10) 0.0573(12) Uani 1 1 d . . . . .
H188 H 0.3406 0.7397 0.5106 0.069 Uiso 1 1 calc R U . . .
C189 C 0.3388(4) 0.8755(3) 0.50607(19) 0.109(3) Uani 1 1 d . . . . .
C190 C 0.2465(3) 0.8438(3) 0.60326(15) 0.0837(19) Uani 1 1 d . . . . .
F38 F -0.28788(12) 0.21416(17) 0.12564(8) 0.0909(10) Uani 0.97 1 d . . P . .
F39 F -0.24451(15) 0.2031(2) 0.17766(8) 0.0758(10) Uani 0.88 1 d . . P . .
F39A F -0.2422(13) 0.261(2) 0.1654(10) 0.22(2) Uani 0.19 1 d . U P . .
F40 F -0.2194(3) 0.1451(3) 0.13503(11) 0.0938(19) Uani 0.7 1 d . . P . .
F40A F -0.2526(7) 0.1326(8) 0.1495(5) 0.110(6) Uani 0.25 1 d . . P . .
F41 F -0.2138(2) 0.2616(3) 0.13739(12) 0.0796(13) Uani 0.66 1 d . . P . .
F41A F -0.1919(3) 0.2073(8) 0.1390(2) 0.081(3) Uani 0.35 1 d . . P . .
B1 B -0.2420(2) 0.2041(3) 0.14477(13) 0.0552(14) Uani 1 1 d . . . . .
F42 F 0.55563(11) 0.74930(15) 0.39074(6) 0.0736(8) Uani 1 1 d . . . . .
F43 F 0.5422(2) 0.7012(3) 0.34218(8) 0.178(3) Uani 1 1 d . . . . .
F44 F 0.56771(13) 0.81010(15) 0.34539(6) 0.0853(9) Uani 1 1 d . . . . .
F45 F 0.62276(15) 0.7274(2) 0.36231(10) 0.1259(14) Uani 1 1 d . . . . .
B2 B 0.5713(2) 0.7466(3) 0.35989(12) 0.0555(14) Uani 1 1 d . . . . .
F46 F 0.24059(10) -0.08269(14) 0.18000(6) 0.0677(7) Uani 1 1 d . . . . .
F47 F 0.29629(11) -0.17198(14) 0.18669(7) 0.0756(8) Uani 1 1 d . . . . .
F48 F 0.32102(8) -0.07443(11) 0.16276(6) 0.0507(6) Uani 1 1 d . . . . .
F49 F 0.25957(9) -0.14392(14) 0.13642(6) 0.0677(7) Uani 1 1 d . . . . .
B3 B 0.27897(18) -0.1179(2) 0.16667(11) 0.0409(11) Uani 1 1 d . . . . .
O13 O 0.35690(19) -0.3684(3) 0.25615(14) 0.1320(18) Uani 0.95 1 d . . P . .
C1A C 0.3745(4) -0.3701(10) 0.3132(3) 0.298(12) Uani 0.95 1 d . . P . .
H1A H 0.3572 -0.3863 0.3317 0.358 Uiso 0.95 1 calc R U P . .
H1B H 0.3852 -0.3218 0.3168 0.447 Uiso 0.95 1 calc R U P . .
H1C H 0.4056 -0.3985 0.3112 0.447 Uiso 0.95 1 calc R U P . .
C2A C 0.3454(4) -0.3743(11) 0.2893(3) 0.277(10) Uani 0.95 1 d . . P . .
H2A H 0.3178 -0.3394 0.2916 0.333 Uiso 0.95 1 calc R U P . .
H2B H 0.3281 -0.4198 0.2906 0.333 Uiso 0.95 1 calc R U P . .
C3A C 0.3371(4) -0.3102(5) 0.2342(4) 0.172(5) Uani 0.95 1 d . . P . .
H3A H 0.2982 -0.3094 0.2312 0.206 Uiso 0.95 1 calc R U P . .
H3B H 0.3500 -0.2653 0.2434 0.206 Uiso 0.95 1 calc R U P . .
C4A C 0.3568(4) -0.3225(5) 0.2039(3) 0.152(4) Uani 0.95 1 d . . P . .
H4A H 0.3447 -0.3678 0.1954 0.228 Uiso 0.95 1 calc R U P . .
H4B H 0.3953 -0.3218 0.2071 0.228 Uiso 0.95 1 calc R U P . .
H4C H 0.3440 -0.2866 0.1883 0.228 Uiso 0.95 1 calc R U P . .
O14 O 0.0664(10) 0.567(3) 0.1159(9) 0.84(4) Uani 1 1 d . . . . .
O15 O 0.097(3) 0.450(4) 0.0838(14) 1.18(7) Uani 1 1 d . . . . .
N10 N -0.1697(4) 0.4250(7) 0.1803(3) 0.125(5) Uani 0.86 1 d . . P . .
C5A C -0.2004(6) 0.4030(7) 0.1821(3) 0.110(5) Uani 0.86 1 d . . P . .
C6A C -0.2568(5) 0.3645(5) 0.18994(17) 0.147(5) Uani 0.86 1 d . . P . .
H6A H -0.2866 0.3946 0.1827 0.221 Uiso 0.86 1 calc R U P . .
H6B H -0.2555 0.3562 0.2134 0.221 Uiso 0.86 1 calc R U P . .
H6C H -0.2608 0.3204 0.1783 0.221 Uiso 0.86 1 calc R U P . .


_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
Cu1 N2 2.011(3) . ?
Cu1 N3 2.070(3) . ?
Cu1 P1 2.1954(10) . ?
Cu1 P2 2.2028(10) . ?
Cu2 N6 2.006(3) . ?
Cu2 N5 2.095(3) . ?
Cu2 P3 2.2028(9) . ?
Cu2 P4 2.2049(9) . ?
Cu3 N9 2.041(3) . ?
Cu3 N8 2.066(3) . ?
Cu3 P5 2.2173(10) . ?
Cu3 P6 2.2291(10) . ?
P1 C10 1.815(4) . ?
P1 C17 1.824(3) . ?
P1 C8 1.845(3) . ?
P2 C24 1.826(3) . ?
P2 C31 1.826(3) . ?
P2 C9 1.841(3) . ?
P3 C69 1.808(3) . ?
P3 C76 1.818(4) . ?
P3 C67 1.836(3) . ?
P4 C90 1.820(3) . ?
P4 C83 1.828(3) . ?
P4 C68 1.847(3) . ?
P5 C142 1.822(4) . ?
P5 C135 1.822(4) . ?
P5 C133 1.832(3) . ?
P6 C156 1.826(4) . ?
P6 C149 1.830(4) . ?
P6 C134 1.863(3) . ?
O1 C15 1.368(5) . ?
O1 C16 1.430(5) . ?
O2 C18 1.363(4) . ?
O2 C23 1.439(5) . ?
O3 C25 1.369(4) . ?
O3 C30 1.418(5) . ?
O4 C32 1.357(4) . ?
O4 C37 1.431(4) . ?
O5 C70 1.357(5) . ?
O5 C75 1.429(4) . ?
O6 C77 1.373(5) . ?
O6 C82 1.427(5) . ?
O7 C84 1.368(4) . ?
O7 C89 1.427(4) . ?
O8 C91 1.363(4) . ?
O8 C96 1.435(4) . ?
O9 C140 1.363(5) . ?
O9 C141 1.435(4) . ?
O10 C143 1.359(5) . ?
O10 C148 1.422(5) . ?
O11 C154 1.362(5) . ?
O11 C155 1.418(5) . ?
O12 C161 1.363(5) . ?
O12 C162 1.437(5) . ?
N1 C9 1.468(4) . ?
N1 C8 1.474(4) . ?
N1 C7 1.476(4) . ?
N2 C47 1.322(4) . ?
N2 C48 1.358(4) . ?
N3 C38 1.324(4) . ?
N3 C49 1.352(4) . ?
N4 C67 1.464(4) . ?
N4 C68 1.464(4) . ?
N4 C66 1.484(4) . ?
N5 C97 1.320(4) . ?
N5 C108 1.362(4) . ?
N6 C106 1.322(4) . ?
N6 C107 1.368(4) . ?
N7 C134 1.464(4) . ?
N7 C132 1.464(4) . ?
N7 C133 1.472(4) . ?
N8 C163 1.321(4) . ?
N8 C174 1.363(4) . ?
N9 C172 1.314(4) . ?
N9 C173 1.360(4) . ?
F1 C64 1.327(7) . ?
F2 C64 1.300(6) . ?
F3 C64 1.279(6) . ?
F4 C65 1.276(7) . ?
F4 F5 1.688(10) . ?
F4 F7 1.706(10) . ?
F5 C65 1.331(8) . ?
F5 F6 1.678(10) . ?
F6 C65 1.243(7) . ?
F6 F7 1.589(10) . ?
F7 C65 1.282(8) . ?
F8 C57 1.289(6) . ?
F9 C57 1.346(7) . ?
F10 C57 1.302(7) . ?
F11 C56 1.331(5) . ?
F12 C56 1.343(5) . ?
F13 C56 1.335(5) . ?
F14 C115 1.293(6) . ?
F14 F14A 1.568(14) . ?
F14 F16A 1.636(15) . ?
F14A F15 0.709(11) . ?
F14A C115 1.189(14) . ?
F15 C115 1.351(6) . ?
F16 F16A 0.990(16) . ?
F16 C115 1.318(8) . ?
F16A C115 1.263(11) . ?
F17 C116 1.283(5) . ?
F17 F17A 1.643(15) . ?
F17A F19A 1.005(12) . ?
F17A C116 1.342(14) . ?
F18 F19 0.786(9) . ?
F18 C116 1.410(6) . ?
F19 C116 1.170(11) . ?
F19 F19A 1.459(12) . ?
F19A C116 1.306(5) . ?
F20 C123 1.316(7) . ?
F21 C123 1.355(9) . ?
F22 F22A 1.012(18) . ?
F22 C123 1.299(10) . ?
F22 C129 1.60(3) . ?
F22A C129 1.19(3) . ?
F22B C129 1.41(3) . ?
F22C C129 1.41(3) . ?
F23 C124 1.225(10) . ?
F23 F24A 1.646(19) . ?
F23A C124 1.159(13) . ?
F23A F23B 1.53(3) . ?
F23A F23C 1.58(3) . ?
F23B C124 1.40(2) . ?
F23C C124 1.45(2) . ?
F24 C131 1.33(3) . ?
F24A C131 1.32(3) . ?
F24B C131 1.36(4) . ?
F25 C182 1.332(7) . ?
F26 C182 1.259(7) . ?
F26 F26A 1.445(16) . ?
F26A C182 1.335(13) . ?
F26A F27 1.555(18) . ?
F27 C182 1.265(6) . ?
F28 C181 1.311(5) . ?
F29 C181 1.339(5) . ?
F30 C181 1.324(6) . ?
F31 C189 1.271(8) . ?
F32 C189 1.253(7) . ?
F33 C189 1.361(10) . ?
F34 C190 1.393(11) . ?
F34 F37 1.453(13) . ?
F35 C190 1.230(6) . ?
F36 C190 1.368(9) . ?
F36 F37 1.717(11) . ?
F37 C190 1.224(7) . ?
C1 C6 1.392(5) . ?
C1 C2 1.397(4) . ?
C1 C7 1.502(4) . ?
C2 C3 1.380(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.399(4) . ?
C3 C66 1.516(4) . ?
C4 C5 1.385(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(4) . ?
C5 C132 1.502(4) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.390(5) . ?
C10 C15 1.397(5) . ?
C11 C12 1.375(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.359(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.381(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.396(6) . ?
C14 H14 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.390(5) . ?
C17 C18 1.403(5) . ?
C18 C19 1.393(5) . ?
C19 C20 1.378(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.373(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.384(5) . ?
C24 C25 1.399(5) . ?
C25 C26 1.382(5) . ?
C26 C27 1.370(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.374(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.379(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C36 1.379(5) . ?
C31 C32 1.412(5) . ?
C32 C33 1.383(5) . ?
C33 C34 1.384(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.377(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.390(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.399(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.368(5) . ?
C39 C50 1.490(5) . ?
C40 C41 1.395(5) . ?
C40 H40 0.9500 . ?
C41 C49 1.404(5) . ?
C41 C42 1.422(5) . ?
C42 C43 1.345(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.433(5) . ?
C43 H43 0.9500 . ?
C44 C48 1.399(5) . ?
C44 C45 1.402(5) . ?
C45 C46 1.382(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.402(5) . ?
C46 C58 1.477(5) . ?
C47 H47 0.9500 . ?
C48 C49 1.433(5) . ?
C50 C51 1.381(5) . ?
C50 C55 1.397(5) . ?
C51 C52 1.382(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.385(5) . ?
C52 C56 1.490(6) . ?
C53 C54 1.382(6) . ?
C53 H53 0.9500 . ?
C54 C55 1.369(5) . ?
C54 C57 1.509(6) . ?
C55 H55 0.9500 . ?
C58 C59 1.386(5) . ?
C58 C63 1.391(6) . ?
C59 C60 1.388(6) . ?
C59 H59 0.9500 . ?
C60 C61 1.377(6) . ?
C60 C64 1.487(7) . ?
C61 C62 1.375(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.382(5) . ?
C62 C65 1.487(7) . ?
C63 H63 0.9500 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C74 1.378(5) . ?
C69 C70 1.416(5) . ?
C70 C71 1.375(5) . ?
C71 C72 1.376(6) . ?
C71 H71 0.9500 . ?
C72 C73 1.390(6) . ?
C72 H72 0.9500 . ?
C73 C74 1.392(5) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C81 1.384(5) . ?
C76 C77 1.396(5) . ?
C77 C78 1.384(6) . ?
C78 C79 1.392(7) . ?
C78 H78 0.9500 . ?
C79 C80 1.352(7) . ?
C79 H79 0.9500 . ?
C80 C81 1.378(6) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C88 1.382(5) . ?
C83 C84 1.395(5) . ?
C84 C85 1.399(5) . ?
C85 C86 1.367(6) . ?
C85 H85 0.9500 . ?
C86 C87 1.371(6) . ?
C86 H86 0.9500 . ?
C87 C88 1.397(5) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 C95 1.387(5) . ?
C90 C91 1.412(4) . ?
C91 C92 1.384(5) . ?
C92 C93 1.380(5) . ?
C92 H92 0.9500 . ?
C93 C94 1.373(5) . ?
C93 H93 0.9500 . ?
C94 C95 1.387(5) . ?
C94 H94 0.9500 . ?
C95 H95 0.9500 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.406(4) . ?
C97 H97 0.9500 . ?
C98 C99 1.382(5) . ?
C98 C109 1.483(5) . ?
C99 C100 1.408(5) . ?
C99 H99 0.9500 . ?
C100 C108 1.405(4) . ?
C100 C101 1.423(5) . ?
C101 C102 1.341(5) . ?
C101 H101 0.9500 . ?
C102 C103 1.433(5) . ?
C102 H102 0.9500 . ?
C103 C104 1.396(5) . ?
C103 C107 1.407(5) . ?
C104 C105 1.368(5) . ?
C104 H104 0.9500 . ?
C105 C106 1.401(5) . ?
C105 C122 1.493(5) . ?
C106 H106 0.9500 . ?
C107 C108 1.427(4) . ?
C109 C110 1.389(5) . ?
C109 C114 1.398(5) . ?
C110 C111 1.388(5) . ?
C110 H110 0.9500 . ?
C111 C112 1.378(5) . ?
C111 C115 1.494(6) . ?
C112 C113 1.390(5) . ?
C112 H112 0.9500 . ?
C113 C114 1.373(5) . ?
C113 C116 1.482(5) . ?
C114 H114 0.9500 . ?
C117 C130 1.28(3) . ?
C117 C122 1.303(7) . ?
C117 C118 1.398(8) . ?
C117 C125 1.58(2) . ?
C117 H117 0.92(6) . ?
C118 C128 0.84(3) . ?
C118 C127 1.30(2) . ?
C118 C119 1.377(11) . ?
C118 C126 1.47(2) . ?
C118 C123 1.475(9) . ?
C119 C128 0.79(3) . ?
C119 C126 1.03(2) . ?
C119 C120 1.361(11) . ?
C119 H119 0.96(6) . ?
C120 C121 1.388(8) . ?
C120 C126 1.40(2) . ?
C120 C124 1.536(11) . ?
C121 C125 1.387(18) . ?
C121 C122 1.470(7) . ?
C121 H121 1.05(6) . ?
C122 C125 1.172(18) . ?
C122 C130 1.66(2) . ?
C125 C126 1.47(3) . ?
C126 C131 1.38(3) . ?
C126 C128 1.46(3) . ?
C127 C128 1.32(3) . ?
C127 C130 1.44(2) . ?
C127 C129 1.47(3) . ?
C128 H119 1.30(6) . ?
C132 H12A 0.9900 . ?
C132 H12B 0.9900 . ?
C133 H12C 0.9900 . ?
C133 H12D 0.9900 . ?
C134 H12E 0.9900 . ?
C134 H12F 0.9900 . ?
C135 C136 1.385(5) . ?
C135 C140 1.397(5) . ?
C136 C137 1.384(6) . ?
C136 H136 0.9500 . ?
C137 C138 1.359(7) . ?
C137 H137 0.9500 . ?
C138 C139 1.391(7) . ?
C138 H138 0.9500 . ?
C139 C140 1.392(6) . ?
C139 H139 0.9500 . ?
C141 H13A 0.9800 . ?
C141 H13B 0.9800 . ?
C141 H13C 0.9800 . ?
C142 C147 1.387(5) . ?
C142 C143 1.397(5) . ?
C143 C144 1.390(6) . ?
C144 C145 1.387(6) . ?
C144 H144 0.9500 . ?
C145 C146 1.365(6) . ?
C145 H145 0.9500 . ?
C146 C147 1.383(5) . ?
C146 H146 0.9500 . ?
C147 H147 0.9500 . ?
C148 H14A 0.9800 . ?
C148 H14B 0.9800 . ?
C148 H14C 0.9800 . ?
C149 C150 1.387(5) . ?
C149 C154 1.410(5) . ?
C150 C151 1.383(5) . ?
C150 H150 0.9500 . ?
C151 C152 1.372(6) . ?
C151 H151 0.9500 . ?
C152 C153 1.389(6) . ?
C152 H152 0.9500 . ?
C153 C154 1.384(6) . ?
C153 H153 0.9500 . ?
C155 H15A 0.9800 . ?
C155 H15B 0.9800 . ?
C155 H15C 0.9800 . ?
C156 C157 1.381(5) . ?
C156 C161 1.404(5) . ?
C157 C158 1.396(5) . ?
C157 H157 0.9500 . ?
C158 C159 1.368(6) . ?
C158 H158 0.9500 . ?
C159 C160 1.375(6) . ?
C159 H159 0.9500 . ?
C160 C161 1.387(5) . ?
C160 H160 0.9500 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C163 C164 1.407(5) . ?
C163 H163 0.9500 . ?
C164 C165 1.368(5) . ?
C164 C175 1.493(5) . ?
C165 C166 1.401(5) . ?
C165 H165 0.9500 . ?
C166 C174 1.400(5) . ?
C166 C167 1.439(5) . ?
C167 C168 1.335(5) . ?
C167 H167 0.9500 . ?
C168 C169 1.434(5) . ?
C168 H168 0.9500 . ?
C169 C170 1.389(5) . ?
C169 C173 1.405(5) . ?
C170 C171 1.373(5) . ?
C170 H170 0.9500 . ?
C171 C172 1.408(5) . ?
C171 C183 1.478(5) . ?
C172 H172 0.9500 . ?
C173 C174 1.431(5) . ?
C175 C176 1.383(5) . ?
C175 C180 1.390(5) . ?
C176 C177 1.390(5) . ?
C176 H176 0.9500 . ?
C177 C178 1.378(6) . ?
C177 C181 1.493(6) . ?
C178 C179 1.381(6) . ?
C178 H178 0.9500 . ?
C179 C180 1.385(5) . ?
C179 C182 1.494(6) . ?
C180 H180 0.9500 . ?
C183 C188 1.386(5) . ?
C183 C184 1.398(5) . ?
C184 C185 1.375(5) . ?
C184 H184 0.9500 . ?
C185 C186 1.380(6) . ?
C185 C190 1.481(6) . ?
C186 C187 1.389(6) . ?
C186 H186 0.9500 . ?
C187 C188 1.372(6) . ?
C187 C189 1.493(7) . ?
C188 H188 0.9500 . ?

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
N2 Cu1 N3 82.36(11) . . ?
N2 Cu1 P1 127.84(9) . . ?
N3 Cu1 P1 109.70(8) . . ?
N2 Cu1 P2 117.67(9) . . ?
N3 Cu1 P2 109.57(8) . . ?
P1 Cu1 P2 105.80(4) . . ?
N6 Cu2 N5 81.47(10) . . ?
N6 Cu2 P3 120.85(8) . . ?
N5 Cu2 P3 111.76(7) . . ?
N6 Cu2 P4 127.90(8) . . ?
N5 Cu2 P4 109.71(7) . . ?
P3 Cu2 P4 102.34(3) . . ?
N9 Cu3 N8 82.04(11) . . ?
N9 Cu3 P5 108.66(9) . . ?
N8 Cu3 P5 121.73(8) . . ?
N9 Cu3 P6 123.03(8) . . ?
N8 Cu3 P6 116.41(8) . . ?
P5 Cu3 P6 104.76(3) . . ?
C10 P1 C17 105.73(16) . . ?
C10 P1 C8 104.48(16) . . ?
C17 P1 C8 105.66(15) . . ?
C10 P1 Cu1 121.11(12) . . ?
C17 P1 Cu1 109.57(12) . . ?
C8 P1 Cu1 109.20(11) . . ?
C24 P2 C31 105.15(15) . . ?
C24 P2 C9 100.38(14) . . ?
C31 P2 C9 106.43(15) . . ?
C24 P2 Cu1 123.62(11) . . ?
C31 P2 Cu1 108.36(11) . . ?
C9 P2 Cu1 111.56(11) . . ?
C69 P3 C76 107.32(16) . . ?
C69 P3 C67 103.90(16) . . ?
C76 P3 C67 98.40(15) . . ?
C69 P3 Cu2 107.11(11) . . ?
C76 P3 Cu2 125.03(13) . . ?
C67 P3 Cu2 113.09(11) . . ?
C90 P4 C83 110.35(15) . . ?
C90 P4 C68 104.53(15) . . ?
C83 P4 C68 98.99(14) . . ?
C90 P4 Cu2 107.26(10) . . ?
C83 P4 Cu2 121.27(12) . . ?
C68 P4 Cu2 113.18(11) . . ?
C142 P5 C135 106.12(16) . . ?
C142 P5 C133 102.46(15) . . ?
C135 P5 C133 105.79(16) . . ?
C142 P5 Cu3 121.89(13) . . ?
C135 P5 Cu3 113.57(12) . . ?
C133 P5 Cu3 105.36(12) . . ?
C156 P6 C149 105.00(16) . . ?
C156 P6 C134 100.73(15) . . ?
C149 P6 C134 106.38(16) . . ?
C156 P6 Cu3 123.78(12) . . ?
C149 P6 Cu3 107.49(11) . . ?
C134 P6 Cu3 112.12(10) . . ?
C15 O1 C16 118.2(3) . . ?
C18 O2 C23 118.0(3) . . ?
C25 O3 C30 118.5(3) . . ?
C32 O4 C37 118.0(3) . . ?
C70 O5 C75 118.5(3) . . ?
C77 O6 C82 119.1(3) . . ?
C84 O7 C89 118.2(3) . . ?
C91 O8 C96 117.9(3) . . ?
C140 O9 C141 118.4(3) . . ?
C143 O10 C148 119.9(4) . . ?
C154 O11 C155 118.9(3) . . ?
C161 O12 C162 117.9(3) . . ?
C9 N1 C8 114.1(2) . . ?
C9 N1 C7 108.6(2) . . ?
C8 N1 C7 111.1(2) . . ?
C47 N2 C48 118.2(3) . . ?
C47 N2 Cu1 129.6(2) . . ?
C48 N2 Cu1 112.1(2) . . ?
C38 N3 C49 118.0(3) . . ?
C38 N3 Cu1 131.8(2) . . ?
C49 N3 Cu1 110.0(2) . . ?
C67 N4 C68 113.2(3) . . ?
C67 N4 C66 110.7(2) . . ?
C68 N4 C66 109.7(2) . . ?
C97 N5 C108 117.9(3) . . ?
C97 N5 Cu2 131.3(2) . . ?
C108 N5 Cu2 110.6(2) . . ?
C106 N6 C107 117.8(3) . . ?
C106 N6 Cu2 128.9(2) . . ?
C107 N6 Cu2 113.4(2) . . ?
C134 N7 C132 113.0(2) . . ?
C134 N7 C133 112.6(2) . . ?
C132 N7 C133 112.0(3) . . ?
C163 N8 C174 117.5(3) . . ?
C163 N8 Cu3 131.4(2) . . ?
C174 N8 Cu3 111.0(2) . . ?
C172 N9 C173 117.9(3) . . ?
C172 N9 Cu3 130.4(2) . . ?
C173 N9 Cu3 111.6(2) . . ?
C65 F4 F5 51.1(4) . . ?
C65 F4 F7 48.3(5) . . ?
F5 F4 F7 91.3(5) . . ?
C65 F5 F6 47.1(4) . . ?
C65 F5 F4 48.2(4) . . ?
F6 F5 F4 85.2(5) . . ?
C65 F6 F7 52.1(5) . . ?
C65 F6 F5 51.6(5) . . ?
F7 F6 F5 95.9(5) . . ?
C65 F7 F6 49.9(4) . . ?
C65 F7 F4 48.0(4) . . ?
F6 F7 F4 87.4(5) . . ?
C115 F14 F14A 47.9(5) . . ?
C115 F14 F16A 49.4(4) . . ?
F14A F14 F16A 87.2(7) . . ?
F15 F14A C115 86.9(14) . . ?
F15 F14A F14 135.7(18) . . ?
C115 F14A F14 53.8(7) . . ?
F14A F15 C115 61.5(13) . . ?
F16A F16 C115 64.6(9) . . ?
F16 F16A C115 70.4(10) . . ?
F16 F16A F14 116.8(13) . . ?
C115 F16A F14 51.0(6) . . ?
C116 F17 F17A 52.9(5) . . ?
F19A F17A C116 65.8(8) . . ?
F19A F17A F17 108.1(12) . . ?
C116 F17A F17 49.7(5) . . ?
F19 F18 C116 56.1(9) . . ?
F18 F19 C116 90.0(12) . . ?
F18 F19 F19A 145.7(15) . . ?
C116 F19 F19A 58.4(6) . . ?
F17A F19A C116 69.6(8) . . ?
F17A F19A F19 113.1(10) . . ?
C116 F19A F19 49.7(5) . . ?
F22A F22 C123 122.7(17) . . ?
F22A F22 C129 48.4(13) . . ?
C123 F22 C129 108.6(11) . . ?
F22 F22A C129 92.3(19) . . ?
C124 F23 F24A 86.9(11) . . ?
C124 F23A F23B 60.9(14) . . ?
C124 F23A F23C 61.5(14) . . ?
F23B F23A F23C 118.8(16) . . ?
C124 F23B F23A 46.3(9) . . ?
C131 F24A F23 141.0(16) . . ?
C182 F26 F26A 58.7(7) . . ?
C182 F26A F26 53.7(6) . . ?
C182 F26A F27 51.2(7) . . ?
F26 F26A F27 95.5(9) . . ?
C182 F27 F26A 55.4(6) . . ?
C190 F34 F37 50.9(4) . . ?
C190 F36 F37 45.0(4) . . ?
C190 F37 F34 62.0(7) . . ?
C190 F37 F36 52.3(5) . . ?
F34 F37 F36 110.0(7) . . ?
C6 C1 C2 118.2(3) . . ?
C6 C1 C7 123.0(3) . . ?
C2 C1 C7 118.8(3) . . ?
C3 C2 C1 121.9(3) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C2 C3 C4 118.5(3) . . ?
C2 C3 C66 120.0(3) . . ?
C4 C3 C66 121.3(3) . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 119.0(3) . . ?
C4 C5 C132 120.3(3) . . ?
C6 C5 C132 120.6(3) . . ?
C1 C6 C5 121.2(3) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
N1 C7 C1 110.8(3) . . ?
N1 C7 H7A 109.5 . . ?
C1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
C1 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
N1 C8 P1 113.5(2) . . ?
N1 C8 H8A 108.9 . . ?
P1 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
P1 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
N1 C9 P2 115.2(2) . . ?
N1 C9 H9A 108.5 . . ?
P2 C9 H9A 108.5 . . ?
N1 C9 H9B 108.5 . . ?
P2 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C11 C10 C15 118.1(4) . . ?
C11 C10 P1 117.6(3) . . ?
C15 C10 P1 124.2(3) . . ?
C12 C11 C10 122.1(4) . . ?
C12 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
C13 C12 C11 118.8(5) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C14 121.9(4) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C15 119.1(5) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
O1 C15 C14 123.7(4) . . ?
O1 C15 C10 116.2(3) . . ?
C14 C15 C10 120.1(4) . . ?
O1 C16 H16A 109.5 . . ?
O1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 C18 117.6(3) . . ?
C22 C17 P1 123.9(3) . . ?
C18 C17 P1 118.1(3) . . ?
O2 C18 C19 124.2(3) . . ?
O2 C18 C17 114.5(3) . . ?
C19 C18 C17 121.3(4) . . ?
C20 C19 C18 118.9(4) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C21 C20 C19 121.3(4) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 119.4(4) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C21 C22 C17 121.4(4) . . ?
C21 C22 H22 119.3 . . ?
C17 C22 H22 119.3 . . ?
O2 C23 H23A 109.5 . . ?
O2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 118.7(3) . . ?
C29 C24 P2 123.2(3) . . ?
C25 C24 P2 118.1(3) . . ?
O3 C25 C26 124.7(4) . . ?
O3 C25 C24 115.3(3) . . ?
C26 C25 C24 120.1(4) . . ?
C27 C26 C25 119.6(4) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C28 121.5(4) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C27 C28 C29 118.8(4) . . ?
C27 C28 H28 120.6 . . ?
C29 C28 H28 120.6 . . ?
C28 C29 C24 121.3(4) . . ?
C28 C29 H29 119.4 . . ?
C24 C29 H29 119.4 . . ?
O3 C30 H30A 109.5 . . ?
O3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C36 C31 C32 118.7(3) . . ?
C36 C31 P2 123.5(3) . . ?
C32 C31 P2 116.7(3) . . ?
O4 C32 C33 124.2(3) . . ?
O4 C32 C31 115.2(3) . . ?
C33 C32 C31 120.6(3) . . ?
C32 C33 C34 119.2(3) . . ?
C32 C33 H33 120.4 . . ?
C34 C33 H33 120.4 . . ?
C35 C34 C33 121.1(3) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C36 119.6(4) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C31 C36 C35 120.8(3) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
O4 C37 H37A 109.5 . . ?
O4 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O4 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N3 C38 C39 123.9(3) . . ?
N3 C38 H38 118.1 . . ?
C39 C38 H38 118.1 . . ?
C40 C39 C38 117.5(3) . . ?
C40 C39 C50 121.5(3) . . ?
C38 C39 C50 120.9(3) . . ?
C39 C40 C41 120.8(3) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 H40 119.6 . . ?
C40 C41 C49 117.2(3) . . ?
C40 C41 C42 124.2(3) . . ?
C49 C41 C42 118.6(3) . . ?
C43 C42 C41 122.0(4) . . ?
C43 C42 H42 119.0 . . ?
C41 C42 H42 119.0 . . ?
C42 C43 C44 120.8(4) . . ?
C42 C43 H43 119.6 . . ?
C44 C43 H43 119.6 . . ?
C48 C44 C45 117.6(3) . . ?
C48 C44 C43 118.6(3) . . ?
C45 C44 C43 123.8(3) . . ?
C46 C45 C44 120.4(3) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C47 117.2(3) . . ?
C45 C46 C58 123.2(3) . . ?
C47 C46 C58 119.5(3) . . ?
N2 C47 C46 124.1(3) . . ?
N2 C47 H47 118.0 . . ?
C46 C47 H47 118.0 . . ?
N2 C48 C44 122.4(3) . . ?
N2 C48 C49 117.3(3) . . ?
C44 C48 C49 120.2(3) . . ?
N3 C49 C41 122.6(3) . . ?
N3 C49 C48 117.8(3) . . ?
C41 C49 C48 119.6(3) . . ?
C51 C50 C55 119.0(3) . . ?
C51 C50 C39 121.5(3) . . ?
C55 C50 C39 119.5(3) . . ?
C50 C51 C52 120.3(3) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C51 C52 C53 120.7(4) . . ?
C51 C52 C56 121.9(3) . . ?
C53 C52 C56 117.4(3) . . ?
C54 C53 C52 118.7(4) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C55 C54 C53 121.2(4) . . ?
C55 C54 C57 120.0(4) . . ?
C53 C54 C57 118.8(4) . . ?
C54 C55 C50 120.1(4) . . ?
C54 C55 H55 120.0 . . ?
C50 C55 H55 120.0 . . ?
F11 C56 F13 106.5(4) . . ?
F11 C56 F12 106.3(3) . . ?
F13 C56 F12 105.2(4) . . ?
F11 C56 C52 112.4(4) . . ?
F13 C56 C52 113.3(3) . . ?
F12 C56 C52 112.5(4) . . ?
F8 C57 F10 107.0(6) . . ?
F8 C57 F9 108.4(5) . . ?
F10 C57 F9 104.4(4) . . ?
F8 C57 C54 113.5(4) . . ?
F10 C57 C54 112.9(5) . . ?
F9 C57 C54 110.3(5) . . ?
C59 C58 C63 119.1(4) . . ?
C59 C58 C46 119.6(4) . . ?
C63 C58 C46 121.3(3) . . ?
C58 C59 C60 120.0(4) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C61 C60 C59 120.5(4) . . ?
C61 C60 C64 121.0(4) . . ?
C59 C60 C64 118.4(5) . . ?
C62 C61 C60 119.6(4) . . ?
C62 C61 H61 120.2 . . ?
C60 C61 H61 120.2 . . ?
C61 C62 C63 120.6(4) . . ?
C61 C62 C65 119.9(4) . . ?
C63 C62 C65 119.4(4) . . ?
C62 C63 C58 120.1(4) . . ?
C62 C63 H63 119.9 . . ?
C58 C63 H63 119.9 . . ?
F3 C64 F2 108.8(5) . . ?
F3 C64 F1 104.2(6) . . ?
F2 C64 F1 101.7(5) . . ?
F3 C64 C60 114.7(5) . . ?
F2 C64 C60 113.2(5) . . ?
F1 C64 C60 113.1(5) . . ?
F6 C65 F4 129.6(6) . . ?
F6 C65 F7 78.0(7) . . ?
F4 C65 F7 83.6(6) . . ?
F6 C65 F5 81.3(6) . . ?
F4 C65 F5 80.7(6) . . ?
F7 C65 F5 136.4(6) . . ?
F6 C65 C62 117.6(5) . . ?
F4 C65 C62 112.8(6) . . ?
F7 C65 C62 113.9(6) . . ?
F5 C65 C62 109.8(5) . . ?
N4 C66 C3 113.8(2) . . ?
N4 C66 H66A 108.8 . . ?
C3 C66 H66A 108.8 . . ?
N4 C66 H66B 108.8 . . ?
C3 C66 H66B 108.8 . . ?
H66A C66 H66B 107.7 . . ?
N4 C67 P3 114.2(2) . . ?
N4 C67 H67A 108.7 . . ?
P3 C67 H67A 108.7 . . ?
N4 C67 H67B 108.7 . . ?
P3 C67 H67B 108.7 . . ?
H67A C67 H67B 107.6 . . ?
N4 C68 P4 115.1(2) . . ?
N4 C68 H68A 108.5 . . ?
P4 C68 H68A 108.5 . . ?
N4 C68 H68B 108.5 . . ?
P4 C68 H68B 108.5 . . ?
H68A C68 H68B 107.5 . . ?
C74 C69 C70 118.4(3) . . ?
C74 C69 P3 123.6(3) . . ?
C70 C69 P3 116.6(3) . . ?
O5 C70 C71 124.7(3) . . ?
O5 C70 C69 114.7(3) . . ?
C71 C70 C69 120.5(4) . . ?
C70 C71 C72 119.9(4) . . ?
C70 C71 H71 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 C73 120.9(4) . . ?
C71 C72 H72 119.6 . . ?
C73 C72 H72 119.6 . . ?
C72 C73 C74 119.0(4) . . ?
C72 C73 H73 120.5 . . ?
C74 C73 H73 120.5 . . ?
C69 C74 C73 121.3(4) . . ?
C69 C74 H74 119.4 . . ?
C73 C74 H74 119.4 . . ?
O5 C75 H75A 109.5 . . ?
O5 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
O5 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C81 C76 C77 118.7(3) . . ?
C81 C76 P3 123.0(3) . . ?
C77 C76 P3 118.2(3) . . ?
O6 C77 C78 124.1(4) . . ?
O6 C77 C76 115.3(3) . . ?
C78 C77 C76 120.6(4) . . ?
C77 C78 C79 118.5(4) . . ?
C77 C78 H78 120.7 . . ?
C79 C78 H78 120.7 . . ?
C80 C79 C78 121.6(4) . . ?
C80 C79 H79 119.2 . . ?
C78 C79 H79 119.2 . . ?
C79 C80 C81 119.8(5) . . ?
C79 C80 H80 120.1 . . ?
C81 C80 H80 120.1 . . ?
C80 C81 C76 120.8(4) . . ?
C80 C81 H81 119.6 . . ?
C76 C81 H81 119.6 . . ?
O6 C82 H82A 109.5 . . ?
O6 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
O6 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C88 C83 C84 119.2(3) . . ?
C88 C83 P4 116.6(3) . . ?
C84 C83 P4 123.9(3) . . ?
O7 C84 C83 116.5(3) . . ?
O7 C84 C85 123.7(4) . . ?
C83 C84 C85 119.8(4) . . ?
C86 C85 C84 119.6(4) . . ?
C86 C85 H85 120.2 . . ?
C84 C85 H85 120.2 . . ?
C85 C86 C87 121.7(4) . . ?
C85 C86 H86 119.2 . . ?
C87 C86 H86 119.2 . . ?
C86 C87 C88 118.8(4) . . ?
C86 C87 H87 120.6 . . ?
C88 C87 H87 120.6 . . ?
C83 C88 C87 120.9(4) . . ?
C83 C88 H88 119.6 . . ?
C87 C88 H88 119.6 . . ?
O7 C89 H89A 109.5 . . ?
O7 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
O7 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C95 C90 C91 118.3(3) . . ?
C95 C90 P4 123.5(2) . . ?
C91 C90 P4 116.8(3) . . ?
O8 C91 C92 124.8(3) . . ?
O8 C91 C90 114.7(3) . . ?
C92 C91 C90 120.5(3) . . ?
C93 C92 C91 119.4(3) . . ?
C93 C92 H92 120.3 . . ?
C91 C92 H92 120.3 . . ?
C94 C93 C92 121.2(3) . . ?
C94 C93 H93 119.4 . . ?
C92 C93 H93 119.4 . . ?
C93 C94 C95 119.7(4) . . ?
C93 C94 H94 120.2 . . ?
C95 C94 H94 120.2 . . ?
C90 C95 C94 120.8(3) . . ?
C90 C95 H95 119.6 . . ?
C94 C95 H95 119.6 . . ?
O8 C96 H96A 109.5 . . ?
O8 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
O8 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N5 C97 C98 123.8(3) . . ?
N5 C97 H97 118.1 . . ?
C98 C97 H97 118.1 . . ?
C99 C98 C97 118.1(3) . . ?
C99 C98 C109 121.5(3) . . ?
C97 C98 C109 120.4(3) . . ?
C98 C99 C100 119.9(3) . . ?
C98 C99 H99 120.0 . . ?
C100 C99 H99 120.0 . . ?
C108 C100 C99 117.1(3) . . ?
C108 C100 C101 118.7(3) . . ?
C99 C100 C101 124.2(3) . . ?
C102 C101 C100 121.9(3) . . ?
C102 C101 H101 119.1 . . ?
C100 C101 H101 119.1 . . ?
C101 C102 C103 121.1(3) . . ?
C101 C102 H102 119.4 . . ?
C103 C102 H102 119.4 . . ?
C104 C103 C107 117.6(3) . . ?
C104 C103 C102 124.3(3) . . ?
C107 C103 C102 118.1(3) . . ?
C105 C104 C103 120.3(3) . . ?
C105 C104 H104 119.9 . . ?
C103 C104 H104 119.9 . . ?
C104 C105 C106 118.2(3) . . ?
C104 C105 C122 124.0(3) . . ?
C106 C105 C122 117.8(3) . . ?
N6 C106 C105 123.8(3) . . ?
N6 C106 H106 118.1 . . ?
C105 C106 H106 118.1 . . ?
N6 C107 C103 122.3(3) . . ?
N6 C107 C108 117.2(3) . . ?
C103 C107 C108 120.5(3) . . ?
N5 C108 C100 123.1(3) . . ?
N5 C108 C107 117.3(3) . . ?
C100 C108 C107 119.5(3) . . ?
C110 C109 C114 118.5(3) . . ?
C110 C109 C98 120.7(3) . . ?
C114 C109 C98 120.7(3) . . ?
C111 C110 C109 120.4(3) . . ?
C111 C110 H110 119.8 . . ?
C109 C110 H110 119.8 . . ?
C112 C111 C110 120.7(3) . . ?
C112 C111 C115 119.3(3) . . ?
C110 C111 C115 120.0(3) . . ?
C111 C112 C113 119.1(3) . . ?
C111 C112 H112 120.5 . . ?
C113 C112 H112 120.5 . . ?
C114 C113 C112 120.6(3) . . ?
C114 C113 C116 121.0(3) . . ?
C112 C113 C116 118.3(3) . . ?
C113 C114 C109 120.7(3) . . ?
C113 C114 H114 119.6 . . ?
C109 C114 H114 119.6 . . ?
F14A C115 F16A 128.5(9) . . ?
F14A C115 F14 78.2(7) . . ?
F16A C115 F14 79.6(8) . . ?
F14A C115 F16 115.6(9) . . ?
F16A C115 F16 45.1(8) . . ?
F14 C115 F16 120.2(6) . . ?
F16A C115 F15 122.9(9) . . ?
F14 C115 F15 107.6(5) . . ?
F16 C115 F15 90.4(7) . . ?
F14A C115 C111 116.2(7) . . ?
F16A C115 C111 115.1(7) . . ?
F14 C115 C111 112.4(5) . . ?
F16 C115 C111 111.0(5) . . ?
F15 C115 C111 113.4(4) . . ?
F19 C116 F17 117.7(6) . . ?
F19 C116 F19A 71.9(6) . . ?
F17 C116 F19A 114.4(5) . . ?
F19 C116 F17A 110.9(8) . . ?
F17 C116 F17A 77.5(7) . . ?
F17 C116 F18 96.8(4) . . ?
F19A C116 F18 104.9(5) . . ?
F17A C116 F18 135.7(7) . . ?
F19 C116 C113 116.6(6) . . ?
F17 C116 C113 114.9(4) . . ?
F19A C116 C113 114.3(4) . . ?
F17A C116 C113 112.8(7) . . ?
F18 C116 C113 109.3(4) . . ?
C130 C117 C122 80.1(9) . . ?
C130 C117 C118 97.7(9) . . ?
C122 C117 C118 122.1(6) . . ?
C130 C117 C125 118.7(11) . . ?
C122 C117 C125 46.8(6) . . ?
C118 C117 C125 89.8(8) . . ?
C130 C117 C127 52.2(11) . . ?
C122 C117 C127 110.8(7) . . ?
C118 C117 C127 45.8(7) . . ?
C125 C117 C127 113.7(10) . . ?
C130 C117 H117 90(4) . . ?
C122 C117 H117 118(4) . . ?
C118 C117 H117 120(4) . . ?
C125 C117 H117 137(4) . . ?
C127 C117 H117 109(4) . . ?
C128 C118 C127 73(2) . . ?
C127 C118 C119 93.3(9) . . ?
C128 C118 C117 137(2) . . ?
C127 C118 C117 83.9(8) . . ?
C119 C118 C117 120.5(6) . . ?
C128 C118 C126 73(2) . . ?
C127 C118 C126 124.1(12) . . ?
C117 C118 C126 92.9(10) . . ?
C128 C118 C123 94(2) . . ?
C127 C118 C123 90.5(10) . . ?
C119 C118 C123 117.7(6) . . ?
C117 C118 C123 121.8(6) . . ?
C126 C118 C123 134.6(10) . . ?
C128 C118 C130 108(2) . . ?
C127 C118 C130 45.3(10) . . ?
C119 C118 C130 110.3(6) . . ?
C126 C118 C130 109.9(10) . . ?
C123 C118 C130 115.5(8) . . ?
C128 C119 C126 107(3) . . ?
C128 C119 C120 137(2) . . ?
C126 C119 C120 70.4(13) . . ?
C126 C119 C118 73.6(13) . . ?
C120 C119 C118 119.3(6) . . ?
C128 C119 C131 130(3) . . ?
C126 C119 C131 46.4(15) . . ?
C120 C119 C131 80.6(12) . . ?
C118 C119 C131 106.7(10) . . ?
C126 C119 C127 106.5(15) . . ?
C120 C119 C127 108.3(7) . . ?
C131 C119 C127 148.1(11) . . ?
C128 C119 H119 95(4) . . ?
C126 C119 H119 133(4) . . ?
C120 C119 H119 118(3) . . ?
C118 C119 H119 122(3) . . ?
C131 C119 H119 87(3) . . ?
C127 C119 H119 113(3) . . ?
C119 C120 C121 121.3(6) . . ?
C121 C120 C126 93.2(10) . . ?
C119 C120 C124 120.8(7) . . ?
C121 C120 C124 117.9(7) . . ?
C126 C120 C124 134.0(11) . . ?
C119 C120 C125 84.2(8) . . ?
C121 C120 C125 45.0(6) . . ?
C126 C120 C125 48.4(11) . . ?
C124 C120 C125 144.8(11) . . ?
C121 C120 C128 108.6(10) . . ?
C126 C120 C128 46.6(13) . . ?
C124 C120 C128 132.4(11) . . ?
C125 C120 C128 77.6(12) . . ?
C125 C121 C120 90.0(8) . . ?
C125 C121 C122 48.3(8) . . ?
C120 C121 C122 118.0(6) . . ?
C125 C121 C126 46.5(10) . . ?
C122 C121 C126 81.7(7) . . ?
C125 C121 H121 128(3) . . ?
C120 C121 H121 120(3) . . ?
C122 C121 H121 121(3) . . ?
C126 C121 H121 145(3) . . ?
C125 C122 C117 79.2(11) . . ?
C125 C122 C121 62.2(9) . . ?
C117 C122 C121 118.7(5) . . ?
C125 C122 C105 129.1(11) . . ?
C117 C122 C105 124.0(4) . . ?
C121 C122 C105 117.3(4) . . ?
C125 C122 C130 119.9(13) . . ?
C117 C122 C130 49.3(7) . . ?
C121 C122 C130 113.1(7) . . ?
C105 C122 C130 107.0(7) . . ?
F22 C123 F20 113.1(8) . . ?
F22 C123 F21 100.7(7) . . ?
F20 C123 F21 105.2(6) . . ?
F22 C123 C118 112.7(6) . . ?
F20 C123 C118 113.6(6) . . ?
F21 C123 C118 110.5(7) . . ?
F22 C123 C128 90.9(11) . . ?
F20 C123 C128 142.0(12) . . ?
F21 C123 C128 98.2(11) . . ?
F22 C123 C127 76.2(8) . . ?
F20 C123 C127 114.4(7) . . ?
F21 C123 C127 138.1(8) . . ?
F23A C124 F23 127.3(9) . . ?
F23A C124 F23B 72.8(15) . . ?
F23 C124 F23B 94.0(15) . . ?
F23A C124 F23C 73.7(17) . . ?
F23 C124 F23C 89.6(14) . . ?
F23B C124 F23C 140.2(16) . . ?
F23A C124 C120 117.6(9) . . ?
F23 C124 C120 115.0(9) . . ?
F23B C124 C120 108.8(13) . . ?
F23C C124 C120 105.3(13) . . ?
C122 C125 C121 69.5(9) . . ?
C122 C125 C126 123.0(19) . . ?
C121 C125 C126 90.4(12) . . ?
C122 C125 C117 54.1(10) . . ?
C121 C125 C117 106.9(13) . . ?
C126 C125 C117 85.6(14) . . ?
C122 C125 C120 99.7(11) . . ?
C121 C125 C120 45.0(6) . . ?
C126 C125 C120 45.5(9) . . ?
C117 C125 C120 101.3(11) . . ?
C119 C126 C131 101(2) . . ?
C119 C126 C120 66.0(14) . . ?
C131 C126 C120 99.7(18) . . ?
C131 C126 C128 119(3) . . ?
C120 C126 C128 89.1(19) . . ?
C119 C126 C118 64.3(13) . . ?
C131 C126 C118 134(2) . . ?
C120 C126 C118 110.8(15) . . ?
C119 C126 C125 130(2) . . ?
C131 C126 C125 124(2) . . ?
C120 C126 C125 86.1(13) . . ?
C128 C126 C125 116(2) . . ?
C118 C126 C125 91.7(15) . . ?
C119 C126 C121 97.9(14) . . ?
C131 C126 C121 122(2) . . ?
C128 C126 C121 104.7(16) . . ?
C118 C126 C121 102.9(11) . . ?
C118 C127 C130 94.6(18) . . ?
C128 C127 C130 121(2) . . ?
C118 C127 C129 131.9(19) . . ?
C128 C127 C129 116.0(19) . . ?
C130 C127 C129 122(2) . . ?
C118 C127 C117 50.3(9) . . ?
C128 C127 C117 82(2) . . ?
C129 C127 C117 148.4(17) . . ?
C130 C127 C119 111.2(17) . . ?
C129 C127 C119 125.5(13) . . ?
C117 C127 C119 79.6(11) . . ?
C118 C127 C123 48.3(7) . . ?
C128 C127 C123 60.3(16) . . ?
C130 C127 C123 119.8(14) . . ?
C129 C127 C123 84.9(16) . . ?
C117 C127 C123 83.0(10) . . ?
C119 C127 C123 76.9(9) . . ?
C119 C128 C118 115(4) . . ?
C119 C128 C127 133(3) . . ?
C118 C128 C127 70(2) . . ?
C118 C128 C126 74(2) . . ?
C127 C128 C126 123(3) . . ?
C119 C128 C123 146(3) . . ?
C118 C128 C123 57.1(19) . . ?
C127 C128 C123 78.6(18) . . ?
C126 C128 C123 115(2) . . ?
C118 C128 C120 104(2) . . ?
C127 C128 C120 106.7(18) . . ?
C123 C128 C120 158.3(18) . . ?
C119 C128 H119 47(3) . . ?
C118 C128 H119 147(4) . . ?
C127 C128 H119 143(4) . . ?
C126 C128 H119 82(3) . . ?
C123 C128 H119 118(3) . . ?
C120 C128 H119 71(3) . . ?
F22A C129 F22C 104(2) . . ?
F22A C129 F22B 118(2) . . ?
F22C C129 F22B 97(2) . . ?
F22A C129 C127 114(3) . . ?
F22C C129 C127 112.5(19) . . ?
F22B C129 C127 110(2) . . ?
F22C C129 F22 142(2) . . ?
F22B C129 F22 108.4(15) . . ?
C127 C129 F22 86(2) . . ?
C117 C130 C127 83.2(16) . . ?
C117 C130 C122 50.6(10) . . ?
C127 C130 C122 112.2(17) . . ?
C122 C130 C118 79.3(11) . . ?
C127 C130 H117 99(3) . . ?
C122 C130 H117 73(3) . . ?
C118 C130 H117 67(3) . . ?
F24A C131 F24 110(2) . . ?
F24A C131 F24B 103(3) . . ?
F24 C131 F24B 101(3) . . ?
F24A C131 C126 113(2) . . ?
F24 C131 C126 117(3) . . ?
F24B C131 C126 110(2) . . ?
F24A C131 C119 87.8(19) . . ?
F24 C131 C119 112(3) . . ?
F24B C131 C119 139(2) . . ?
N7 C132 C5 112.4(3) . . ?
N7 C132 H12A 109.1 . . ?
C5 C132 H12A 109.1 . . ?
N7 C132 H12B 109.1 . . ?
C5 C132 H12B 109.1 . . ?
H12A C132 H12B 107.8 . . ?
N7 C133 P5 104.8(2) . . ?
N7 C133 H12C 110.8 . . ?
P5 C133 H12C 110.8 . . ?
N7 C133 H12D 110.8 . . ?
P5 C133 H12D 110.8 . . ?
H12C C133 H12D 108.9 . . ?
N7 C134 P6 112.0(2) . . ?
N7 C134 H12E 109.2 . . ?
P6 C134 H12E 109.2 . . ?
N7 C134 H12F 109.2 . . ?
P6 C134 H12F 109.2 . . ?
H12E C134 H12F 107.9 . . ?
C136 C135 C140 118.7(3) . . ?
C136 C135 P5 124.7(3) . . ?
C140 C135 P5 116.5(3) . . ?
C137 C136 C135 120.9(4) . . ?
C137 C136 H136 119.5 . . ?
C135 C136 H136 119.5 . . ?
C138 C137 C136 120.0(5) . . ?
C138 C137 H137 120.0 . . ?
C136 C137 H137 120.0 . . ?
C137 C138 C139 120.9(4) . . ?
C137 C138 H138 119.6 . . ?
C139 C138 H138 119.6 . . ?
C138 C139 C140 119.2(4) . . ?
C138 C139 H139 120.4 . . ?
C140 C139 H139 120.4 . . ?
O9 C140 C139 124.4(4) . . ?
O9 C140 C135 115.3(3) . . ?
C139 C140 C135 120.3(4) . . ?
O9 C141 H13A 109.5 . . ?
O9 C141 H13B 109.5 . . ?
H13A C141 H13B 109.5 . . ?
O9 C141 H13C 109.5 . . ?
H13A C141 H13C 109.5 . . ?
H13B C141 H13C 109.5 . . ?
C147 C142 C143 118.4(3) . . ?
C147 C142 P5 118.4(3) . . ?
C143 C142 P5 123.2(3) . . ?
O10 C143 C144 124.3(4) . . ?
O10 C143 C142 116.0(3) . . ?
C144 C143 C142 119.8(4) . . ?
C145 C144 C143 120.2(4) . . ?
C145 C144 H144 119.9 . . ?
C143 C144 H144 119.9 . . ?
C146 C145 C144 120.5(4) . . ?
C146 C145 H145 119.7 . . ?
C144 C145 H145 119.7 . . ?
C145 C146 C147 119.3(4) . . ?
C145 C146 H146 120.3 . . ?
C147 C146 H146 120.3 . . ?
C146 C147 C142 121.7(4) . . ?
C146 C147 H147 119.1 . . ?
C142 C147 H147 119.1 . . ?
O10 C148 H14A 109.5 . . ?
O10 C148 H14B 109.5 . . ?
H14A C148 H14B 109.5 . . ?
O10 C148 H14C 109.5 . . ?
H14A C148 H14C 109.5 . . ?
H14B C148 H14C 109.5 . . ?
C150 C149 C154 117.8(3) . . ?
C150 C149 P6 124.2(3) . . ?
C154 C149 P6 117.5(3) . . ?
C151 C150 C149 121.7(4) . . ?
C151 C150 H150 119.1 . . ?
C149 C150 H150 119.1 . . ?
C152 C151 C150 119.7(4) . . ?
C152 C151 H151 120.2 . . ?
C150 C151 H151 120.2 . . ?
C151 C152 C153 120.4(4) . . ?
C151 C152 H152 119.8 . . ?
C153 C152 H152 119.8 . . ?
C154 C153 C152 119.9(4) . . ?
C154 C153 H153 120.1 . . ?
C152 C153 H153 120.1 . . ?
O11 C154 C153 124.4(4) . . ?
O11 C154 C149 115.1(3) . . ?
C153 C154 C149 120.5(4) . . ?
O11 C155 H15A 109.5 . . ?
O11 C155 H15B 109.5 . . ?
H15A C155 H15B 109.5 . . ?
O11 C155 H15C 109.5 . . ?
H15A C155 H15C 109.5 . . ?
H15B C155 H15C 109.5 . . ?
C157 C156 C161 118.5(3) . . ?
C157 C156 P6 123.7(3) . . ?
C161 C156 P6 117.8(3) . . ?
C156 C157 C158 120.9(4) . . ?
C156 C157 H157 119.5 . . ?
C158 C157 H157 119.5 . . ?
C159 C158 C157 119.5(4) . . ?
C159 C158 H158 120.2 . . ?
C157 C158 H158 120.2 . . ?
C158 C159 C160 120.9(4) . . ?
C158 C159 H159 119.5 . . ?
C160 C159 H159 119.5 . . ?
C159 C160 C161 119.8(4) . . ?
C159 C160 H160 120.1 . . ?
C161 C160 H160 120.1 . . ?
O12 C161 C160 124.4(4) . . ?
O12 C161 C156 115.2(3) . . ?
C160 C161 C156 120.3(4) . . ?
O12 C162 H16D 109.5 . . ?
O12 C162 H16E 109.5 . . ?
H16D C162 H16E 109.5 . . ?
O12 C162 H16F 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
N8 C163 C164 124.0(3) . . ?
N8 C163 H163 118.0 . . ?
C164 C163 H163 118.0 . . ?
C165 C164 C163 118.2(3) . . ?
C165 C164 C175 122.0(3) . . ?
C163 C164 C175 119.7(3) . . ?
C164 C165 C166 119.6(3) . . ?
C164 C165 H165 120.2 . . ?
C166 C165 H165 120.2 . . ?
C174 C166 C165 118.1(3) . . ?
C174 C166 C167 118.7(3) . . ?
C165 C166 C167 123.2(3) . . ?
C168 C167 C166 121.0(4) . . ?
C168 C167 H167 119.5 . . ?
C166 C167 H167 119.5 . . ?
C167 C168 C169 121.8(4) . . ?
C167 C168 H168 119.1 . . ?
C169 C168 H168 119.1 . . ?
C170 C169 C173 117.8(3) . . ?
C170 C169 C168 123.7(3) . . ?
C173 C169 C168 118.5(3) . . ?
C171 C170 C169 120.6(3) . . ?
C171 C170 H170 119.7 . . ?
C169 C170 H170 119.7 . . ?
C170 C171 C172 117.1(3) . . ?
C170 C171 C183 122.3(3) . . ?
C172 C171 C183 120.6(3) . . ?
N9 C172 C171 124.4(3) . . ?
N9 C172 H172 117.8 . . ?
C171 C172 H172 117.8 . . ?
N9 C173 C169 122.1(3) . . ?
N9 C173 C174 118.1(3) . . ?
C169 C173 C174 119.8(3) . . ?
N8 C174 C166 122.5(3) . . ?
N8 C174 C173 117.3(3) . . ?
C166 C174 C173 120.1(3) . . ?
C176 C175 C180 118.9(3) . . ?
C176 C175 C164 120.6(3) . . ?
C180 C175 C164 120.5(3) . . ?
C175 C176 C177 120.3(4) . . ?
C175 C176 H176 119.9 . . ?
C177 C176 H176 119.9 . . ?
C178 C177 C176 120.5(4) . . ?
C178 C177 C181 120.2(4) . . ?
C176 C177 C181 119.3(4) . . ?
C177 C178 C179 119.5(4) . . ?
C177 C178 H178 120.3 . . ?
C179 C178 H178 120.3 . . ?
C178 C179 C180 120.2(4) . . ?
C178 C179 C182 120.3(4) . . ?
C180 C179 C182 119.5(4) . . ?
C179 C180 C175 120.7(4) . . ?
C179 C180 H180 119.7 . . ?
C175 C180 H180 119.7 . . ?
F28 C181 F30 107.1(4) . . ?
F28 C181 F29 106.8(4) . . ?
F30 C181 F29 104.9(4) . . ?
F28 C181 C177 113.0(4) . . ?
F30 C181 C177 112.4(4) . . ?
F29 C181 C177 112.2(3) . . ?
F26 C182 F27 123.3(6) . . ?
F26 C182 F25 91.4(6) . . ?
F27 C182 F25 94.3(6) . . ?
F26 C182 F26A 67.6(9) . . ?
F27 C182 F26A 73.4(9) . . ?
F25 C182 F26A 141.1(7) . . ?
F26 C182 C179 115.5(5) . . ?
F27 C182 C179 114.7(5) . . ?
F25 C182 C179 110.9(5) . . ?
F26A C182 C179 107.7(6) . . ?
C188 C183 C184 118.1(3) . . ?
C188 C183 C171 121.2(3) . . ?
C184 C183 C171 120.7(3) . . ?
C185 C184 C183 120.4(4) . . ?
C185 C184 H184 119.8 . . ?
C183 C184 H184 119.8 . . ?
C184 C185 C186 121.4(4) . . ?
C184 C185 C190 119.8(4) . . ?
C186 C185 C190 118.7(4) . . ?
C185 C186 C187 118.2(4) . . ?
C185 C186 H186 120.9 . . ?
C187 C186 H186 120.9 . . ?
C188 C187 C186 120.9(4) . . ?
C188 C187 C189 120.4(5) . . ?
C186 C187 C189 118.7(4) . . ?
C187 C188 C183 121.1(4) . . ?
C187 C188 H188 119.5 . . ?
C183 C188 H188 119.5 . . ?
F32 C189 F31 111.4(7) . . ?
F32 C189 F33 104.1(8) . . ?
F31 C189 F33 100.6(6) . . ?
F32 C189 C187 114.9(6) . . ?
F31 C189 C187 114.9(7) . . ?
F33 C189 C187 109.4(7) . . ?
F37 C190 F35 124.6(6) . . ?
F37 C190 F36 82.7(7) . . ?
F35 C190 F36 89.3(6) . . ?
F37 C190 F34 67.1(7) . . ?
F35 C190 F34 87.8(8) . . ?
F36 C190 F34 140.6(7) . . ?
F37 C190 C185 117.1(5) . . ?
F35 C190 C185 117.6(5) . . ?
F36 C190 C185 107.1(6) . . ?
F34 C190 C185 109.0(6) . . ?
F39A F39 B1 64.4(14) . . ?
F39 F39A B1 62.6(16) . . ?
F39 F39A F41 113.3(18) . . ?
B1 F39A F41 58.4(13) . . ?
F40A F40 B1 69.4(9) . . ?
F40A F40 F41A 121.8(11) . . ?
B1 F40 F41A 57.8(5) . . ?
F40 F40A B1 63.2(7) . . ?
F41A F41 B1 62.0(5) . . ?
F41A F41 F39A 103.0(16) . . ?
B1 F41 F39A 59.2(15) . . ?
F41 F41A B1 66.1(6) . . ?
F41 F41A F40 121.9(7) . . ?
B1 F41A F40 59.9(5) . . ?
F41A B1 F38 132.7(6) . . ?
F41A B1 F40 62.3(7) . . ?
F38 B1 F40 108.6(4) . . ?
F41A B1 F39 109.7(5) . . ?
F38 B1 F39 116.3(5) . . ?
F40 B1 F39 110.7(5) . . ?
F41A B1 F41 52.0(6) . . ?
F38 B1 F41 101.3(5) . . ?
F40 B1 F41 111.1(6) . . ?
F39 B1 F41 108.5(4) . . ?
F41A B1 F39A 98.3(18) . . ?
F38 B1 F39A 100.3(9) . . ?
F40 B1 F39A 151.1(10) . . ?
F39 B1 F39A 53(2) . . ?
F41 B1 F39A 62(2) . . ?
F41A B1 F40A 105.9(10) . . ?
F38 B1 F40A 93.0(7) . . ?
F40 B1 F40A 47.4(8) . . ?
F39 B1 F40A 79.6(9) . . ?
F41 B1 F40A 157.7(10) . . ?
F39A B1 F40A 132(3) . . ?
F43 B2 F45 109.8(5) . . ?
F43 B2 F44 110.5(4) . . ?
F45 B2 F44 107.0(5) . . ?
F43 B2 F42 109.4(5) . . ?
F45 B2 F42 109.0(4) . . ?
F44 B2 F42 111.1(4) . . ?
F46 B3 F47 109.5(4) . . ?
F46 B3 F49 110.3(4) . . ?
F47 B3 F49 109.0(4) . . ?
F46 B3 F48 110.4(3) . . ?
F47 B3 F48 109.3(3) . . ?
F49 B3 F48 108.4(3) . . ?
C2A O13 C3A 123.1(10) . . ?
C2A C1A H1A 109.5 . . ?
C2A C1A H1B 109.5 . . ?
H1A C1A H1B 109.5 . . ?
C2A C1A H1C 109.5 . . ?
H1A C1A H1C 109.5 . . ?
H1B C1A H1C 109.5 . . ?
C1A C2A O13 128.1(10) . . ?
C1A C2A H2A 105.3 . . ?
O13 C2A H2A 105.3 . . ?
C1A C2A H2B 105.3 . . ?
O13 C2A H2B 105.3 . . ?
H2A C2A H2B 106.0 . . ?
C4A C3A O13 106.2(8) . . ?
C4A C3A H3A 110.5 . . ?
O13 C3A H3A 110.5 . . ?
C4A C3A H3B 110.5 . . ?
O13 C3A H3B 110.5 . . ?
H3A C3A H3B 108.7 . . ?
C3A C4A H4A 109.5 . . ?
C3A C4A H4B 109.5 . . ?
H4A C4A H4B 109.5 . . ?
C3A C4A H4C 109.5 . . ?
H4A C4A H4C 109.5 . . ?
H4B C4A H4C 109.5 . . ?
N10 C5A C6A 174(2) . . ?
C5A C6A H6A 109.5 . . ?
C5A C6A H6B 109.5 . . ?
H6A C6A H6B 109.5 . . ?
C5A C6A H6C 109.5 . . ?
H6A C6A H6C 109.5 . . ?
H6B C6A H6C 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
F7 F4 F5 C65 -29.3(5) . . . . ?
C65 F4 F5 F6 32.7(5) . . . . ?
F7 F4 F5 F6 3.4(4) . . . . ?
F4 F5 F6 C65 -33.4(4) . . . . ?
C65 F5 F6 F7 29.7(5) . . . . ?
F4 F5 F6 F7 -3.7(4) . . . . ?
F5 F6 F7 C65 -29.5(5) . . . . ?
C65 F6 F7 F4 33.1(4) . . . . ?
F5 F6 F7 F4 3.6(4) . . . . ?
F5 F4 F7 C65 30.6(5) . . . . ?
C65 F4 F7 F6 -34.2(5) . . . . ?
F5 F4 F7 F6 -3.6(4) . . . . ?
C115 F14 F14A F15 32.2(19) . . . . ?
F16A F14 F14A F15 -1(2) . . . . ?
F16A F14 F14A C115 -33.6(6) . . . . ?
F14 F14A F15 C115 -25.5(15) . . . . ?
C115 F16 F16A F14 21.7(9) . . . . ?
C115 F14 F16A F16 -26.7(11) . . . . ?
F14A F14 F16A F16 6.1(15) . . . . ?
F14A F14 F16A C115 32.8(7) . . . . ?
C116 F17 F17A F19A 32.5(8) . . . . ?
C116 F18 F19 F19A -21.5(17) . . . . ?
F17 F17A F19A C116 -26.7(6) . . . . ?
C116 F17A F19A F19 24.6(8) . . . . ?
F17 F17A F19A F19 -2.0(13) . . . . ?
F18 F19 F19A F17A -5(3) . . . . ?
C116 F19 F19A F17A -30.8(11) . . . . ?
F18 F19 F19A C116 25(2) . . . . ?
C123 F22 F22A C129 -86(2) . . . . ?
F23C F23A F23B C124 -21.8(10) . . . . ?
F23B F23A F23C C124 21.7(11) . . . . ?
C124 F23 F24A C131 -39(4) . . . . ?
C182 F26 F26A F27 -31.7(5) . . . . ?
F26 F26A F27 C182 32.8(5) . . . . ?
C190 F34 F37 F36 21.5(5) . . . . ?
C190 F36 F37 F34 -24.2(6) . . . . ?
C6 C1 C2 C3 -0.8(5) . . . . ?
C7 C1 C2 C3 179.7(3) . . . . ?
C1 C2 C3 C4 1.2(5) . . . . ?
C1 C2 C3 C66 -174.0(3) . . . . ?
C2 C3 C4 C5 -1.2(4) . . . . ?
C66 C3 C4 C5 174.0(3) . . . . ?
C3 C4 C5 C6 0.7(5) . . . . ?
C3 C4 C5 C132 179.2(3) . . . . ?
C2 C1 C6 C5 0.3(5) . . . . ?
C7 C1 C6 C5 179.8(3) . . . . ?
C4 C5 C6 C1 -0.3(5) . . . . ?
C132 C5 C6 C1 -178.7(3) . . . . ?
C9 N1 C7 C1 75.7(3) . . . . ?
C8 N1 C7 C1 -158.1(3) . . . . ?
C6 C1 C7 N1 -114.2(3) . . . . ?
C2 C1 C7 N1 65.3(4) . . . . ?
C9 N1 C8 P1 -86.5(3) . . . . ?
C7 N1 C8 P1 150.3(2) . . . . ?
C10 P1 C8 N1 175.3(2) . . . . ?
C17 P1 C8 N1 -73.5(2) . . . . ?
Cu1 P1 C8 N1 44.3(2) . . . . ?
C8 N1 C9 P2 78.1(3) . . . . ?
C7 N1 C9 P2 -157.4(2) . . . . ?
C24 P2 C9 N1 -164.3(2) . . . . ?
C31 P2 C9 N1 86.3(3) . . . . ?
Cu1 P2 C9 N1 -31.7(3) . . . . ?
C17 P1 C10 C11 121.9(3) . . . . ?
C8 P1 C10 C11 -126.8(3) . . . . ?
Cu1 P1 C10 C11 -3.3(3) . . . . ?
C17 P1 C10 C15 -53.7(3) . . . . ?
C8 P1 C10 C15 57.5(3) . . . . ?
Cu1 P1 C10 C15 -178.9(3) . . . . ?
C15 C10 C11 C12 0.9(6) . . . . ?
P1 C10 C11 C12 -175.0(4) . . . . ?
C10 C11 C12 C13 -0.2(7) . . . . ?
C11 C12 C13 C14 -0.6(8) . . . . ?
C12 C13 C14 C15 0.5(8) . . . . ?
C16 O1 C15 C14 0.7(5) . . . . ?
C16 O1 C15 C10 179.2(3) . . . . ?
C13 C14 C15 O1 178.8(4) . . . . ?
C13 C14 C15 C10 0.3(6) . . . . ?
C11 C10 C15 O1 -179.6(3) . . . . ?
P1 C10 C15 O1 -3.9(5) . . . . ?
C11 C10 C15 C14 -1.0(5) . . . . ?
P1 C10 C15 C14 174.6(3) . . . . ?
C10 P1 C17 C22 116.0(3) . . . . ?
C8 P1 C17 C22 5.6(4) . . . . ?
Cu1 P1 C17 C22 -112.0(3) . . . . ?
C10 P1 C17 C18 -71.8(3) . . . . ?
C8 P1 C17 C18 177.8(3) . . . . ?
Cu1 P1 C17 C18 60.3(3) . . . . ?
C23 O2 C18 C19 -1.5(6) . . . . ?
C23 O2 C18 C17 178.4(3) . . . . ?
C22 C17 C18 O2 -177.3(3) . . . . ?
P1 C17 C18 O2 10.0(4) . . . . ?
C22 C17 C18 C19 2.5(5) . . . . ?
P1 C17 C18 C19 -170.2(3) . . . . ?
O2 C18 C19 C20 179.1(4) . . . . ?
C17 C18 C19 C20 -0.7(6) . . . . ?
C18 C19 C20 C21 -2.1(7) . . . . ?
C19 C20 C21 C22 3.0(7) . . . . ?
C20 C21 C22 C17 -1.0(6) . . . . ?
C18 C17 C22 C21 -1.6(5) . . . . ?
P1 C17 C22 C21 170.6(3) . . . . ?
C31 P2 C24 C29 2.8(3) . . . . ?
C9 P2 C24 C29 -107.6(3) . . . . ?
Cu1 P2 C24 C29 127.7(3) . . . . ?
C31 P2 C24 C25 -174.2(3) . . . . ?
C9 P2 C24 C25 75.5(3) . . . . ?
Cu1 P2 C24 C25 -49.3(3) . . . . ?
C30 O3 C25 C26 1.7(6) . . . . ?
C30 O3 C25 C24 -179.7(4) . . . . ?
C29 C24 C25 O3 -179.6(3) . . . . ?
P2 C24 C25 O3 -2.5(4) . . . . ?
C29 C24 C25 C26 -0.9(5) . . . . ?
P2 C24 C25 C26 176.1(3) . . . . ?
O3 C25 C26 C27 177.9(4) . . . . ?
C24 C25 C26 C27 -0.5(6) . . . . ?
C25 C26 C27 C28 1.7(7) . . . . ?
C26 C27 C28 C29 -1.4(7) . . . . ?
C27 C28 C29 C24 -0.1(6) . . . . ?
C25 C24 C29 C28 1.3(5) . . . . ?
P2 C24 C29 C28 -175.7(3) . . . . ?
C24 P2 C31 C36 -117.5(3) . . . . ?
C9 P2 C31 C36 -11.6(3) . . . . ?
Cu1 P2 C31 C36 108.5(3) . . . . ?
C24 P2 C31 C32 74.2(3) . . . . ?
C9 P2 C31 C32 -179.9(3) . . . . ?
Cu1 P2 C31 C32 -59.8(3) . . . . ?
C37 O4 C32 C33 -1.5(5) . . . . ?
C37 O4 C32 C31 178.6(3) . . . . ?
C36 C31 C32 O4 179.7(3) . . . . ?
P2 C31 C32 O4 -11.4(4) . . . . ?
C36 C31 C32 C33 -0.2(5) . . . . ?
P2 C31 C32 C33 168.7(3) . . . . ?
O4 C32 C33 C34 178.9(3) . . . . ?
C31 C32 C33 C34 -1.2(5) . . . . ?
C32 C33 C34 C35 1.9(6) . . . . ?
C33 C34 C35 C36 -1.1(6) . . . . ?
C32 C31 C36 C35 1.0(5) . . . . ?
P2 C31 C36 C35 -167.1(3) . . . . ?
C34 C35 C36 C31 -0.3(5) . . . . ?
C49 N3 C38 C39 1.4(5) . . . . ?
Cu1 N3 C38 C39 -172.9(3) . . . . ?
N3 C38 C39 C40 -1.2(5) . . . . ?
N3 C38 C39 C50 178.3(3) . . . . ?
C38 C39 C40 C41 0.3(5) . . . . ?
C50 C39 C40 C41 -179.1(3) . . . . ?
C39 C40 C41 C49 0.2(5) . . . . ?
C39 C40 C41 C42 -179.2(4) . . . . ?
C40 C41 C42 C43 175.9(4) . . . . ?
C49 C41 C42 C43 -3.4(6) . . . . ?
C41 C42 C43 C44 2.2(7) . . . . ?
C42 C43 C44 C48 2.4(6) . . . . ?
C42 C43 C44 C45 -177.3(4) . . . . ?
C48 C44 C45 C46 1.9(6) . . . . ?
C43 C44 C45 C46 -178.4(4) . . . . ?
C44 C45 C46 C47 0.8(6) . . . . ?
C44 C45 C46 C58 -176.7(4) . . . . ?
C48 N2 C47 C46 0.4(5) . . . . ?
Cu1 N2 C47 C46 -176.3(3) . . . . ?
C45 C46 C47 N2 -2.1(6) . . . . ?
C58 C46 C47 N2 175.5(3) . . . . ?
C47 N2 C48 C44 2.6(5) . . . . ?
Cu1 N2 C48 C44 179.9(3) . . . . ?
C47 N2 C48 C49 -175.3(3) . . . . ?
Cu1 N2 C48 C49 2.0(4) . . . . ?
C45 C44 C48 N2 -3.8(5) . . . . ?
C43 C44 C48 N2 176.6(3) . . . . ?
C45 C44 C48 C49 174.1(3) . . . . ?
C43 C44 C48 C49 -5.6(5) . . . . ?
C38 N3 C49 C41 -0.8(5) . . . . ?
Cu1 N3 C49 C41 174.6(3) . . . . ?
C38 N3 C49 C48 178.4(3) . . . . ?
Cu1 N3 C49 C48 -6.1(4) . . . . ?
C40 C41 C49 N3 0.1(5) . . . . ?
C42 C41 C49 N3 179.4(3) . . . . ?
C40 C41 C49 C48 -179.2(3) . . . . ?
C42 C41 C49 C48 0.2(5) . . . . ?
N2 C48 C49 N3 3.0(5) . . . . ?
C44 C48 C49 N3 -175.0(3) . . . . ?
N2 C48 C49 C41 -177.7(3) . . . . ?
C44 C48 C49 C41 4.3(5) . . . . ?
C40 C39 C50 C51 -135.6(4) . . . . ?
C38 C39 C50 C51 45.0(5) . . . . ?
C40 C39 C50 C55 44.0(5) . . . . ?
C38 C39 C50 C55 -135.4(4) . . . . ?
C55 C50 C51 C52 -1.5(5) . . . . ?
C39 C50 C51 C52 178.1(3) . . . . ?
C50 C51 C52 C53 0.8(6) . . . . ?
C50 C51 C52 C56 -179.8(4) . . . . ?
C51 C52 C53 C54 0.4(6) . . . . ?
C56 C52 C53 C54 -179.1(4) . . . . ?
C52 C53 C54 C55 -0.7(6) . . . . ?
C52 C53 C54 C57 177.5(5) . . . . ?
C53 C54 C55 C50 0.0(6) . . . . ?
C57 C54 C55 C50 -178.2(5) . . . . ?
C51 C50 C55 C54 1.2(6) . . . . ?
C39 C50 C55 C54 -178.4(4) . . . . ?
C51 C52 C56 F11 127.4(4) . . . . ?
C53 C52 C56 F11 -53.1(5) . . . . ?
C51 C52 C56 F13 6.7(6) . . . . ?
C53 C52 C56 F13 -173.9(4) . . . . ?
C51 C52 C56 F12 -112.6(4) . . . . ?
C53 C52 C56 F12 66.9(5) . . . . ?
C55 C54 C57 F8 -22.3(9) . . . . ?
C53 C54 C57 F8 159.5(5) . . . . ?
C55 C54 C57 F10 99.7(5) . . . . ?
C53 C54 C57 F10 -78.6(7) . . . . ?
C55 C54 C57 F9 -144.1(5) . . . . ?
C53 C54 C57 F9 37.7(7) . . . . ?
C45 C46 C58 C59 41.7(5) . . . . ?
C47 C46 C58 C59 -135.8(4) . . . . ?
C45 C46 C58 C63 -139.7(4) . . . . ?
C47 C46 C58 C63 42.9(5) . . . . ?
C63 C58 C59 C60 -0.9(6) . . . . ?
C46 C58 C59 C60 177.8(4) . . . . ?
C58 C59 C60 C61 -1.2(6) . . . . ?
C58 C59 C60 C64 -179.3(4) . . . . ?
C59 C60 C61 C62 1.6(6) . . . . ?
C64 C60 C61 C62 179.7(5) . . . . ?
C60 C61 C62 C63 0.0(6) . . . . ?
C60 C61 C62 C65 179.5(5) . . . . ?
C61 C62 C63 C58 -2.1(6) . . . . ?
C65 C62 C63 C58 178.4(4) . . . . ?
C59 C58 C63 C62 2.5(6) . . . . ?
C46 C58 C63 C62 -176.1(4) . . . . ?
C61 C60 C64 F3 -112.9(6) . . . . ?
C59 C60 C64 F3 65.3(8) . . . . ?
C61 C60 C64 F2 12.8(8) . . . . ?
C59 C60 C64 F2 -169.1(5) . . . . ?
C61 C60 C64 F1 127.8(5) . . . . ?
C59 C60 C64 F1 -54.1(7) . . . . ?
F7 F6 C65 F4 -71.2(10) . . . . ?
F5 F6 C65 F4 70.2(10) . . . . ?
F5 F6 C65 F7 141.4(6) . . . . ?
F7 F6 C65 F5 -141.4(6) . . . . ?
F7 F6 C65 C62 110.8(7) . . . . ?
F5 F6 C65 C62 -107.8(7) . . . . ?
F5 F4 C65 F6 -70.5(10) . . . . ?
F7 F4 C65 F6 68.7(10) . . . . ?
F5 F4 C65 F7 -139.1(7) . . . . ?
F7 F4 C65 F5 139.1(7) . . . . ?
F5 F4 C65 C62 107.6(7) . . . . ?
F7 F4 C65 C62 -113.2(7) . . . . ?
F4 F7 C65 F6 -132.8(6) . . . . ?
F6 F7 C65 F4 132.8(6) . . . . ?
F6 F7 C65 F5 63.4(11) . . . . ?
F4 F7 C65 F5 -69.4(11) . . . . ?
F6 F7 C65 C62 -115.1(6) . . . . ?
F4 F7 C65 C62 112.1(7) . . . . ?
F4 F5 C65 F6 132.7(6) . . . . ?
F6 F5 C65 F4 -132.7(6) . . . . ?
F6 F5 C65 F7 -62.2(11) . . . . ?
F4 F5 C65 F7 70.5(11) . . . . ?
F6 F5 C65 C62 116.4(6) . . . . ?
F4 F5 C65 C62 -111.0(6) . . . . ?
C61 C62 C65 F6 -161.3(7) . . . . ?
C63 C62 C65 F6 18.1(10) . . . . ?
C61 C62 C65 F4 20.4(9) . . . . ?
C63 C62 C65 F4 -160.2(6) . . . . ?
C61 C62 C65 F7 -72.7(9) . . . . ?
C63 C62 C65 F7 106.7(8) . . . . ?
C61 C62 C65 F5 108.3(7) . . . . ?
C63 C62 C65 F5 -72.3(8) . . . . ?
C67 N4 C66 C3 -60.0(3) . . . . ?
C68 N4 C66 C3 65.5(3) . . . . ?
C2 C3 C66 N4 89.5(3) . . . . ?
C4 C3 C66 N4 -85.6(4) . . . . ?
C68 N4 C67 P3 82.1(3) . . . . ?
C66 N4 C67 P3 -154.2(2) . . . . ?
C69 P3 C67 N4 76.5(3) . . . . ?
C76 P3 C67 N4 -173.2(2) . . . . ?
Cu2 P3 C67 N4 -39.3(3) . . . . ?
C67 N4 C68 P4 -79.5(3) . . . . ?
C66 N4 C68 P4 156.3(2) . . . . ?
C90 P4 C68 N4 -81.5(3) . . . . ?
C83 P4 C68 N4 164.6(2) . . . . ?
Cu2 P4 C68 N4 34.8(3) . . . . ?
C76 P3 C69 C74 -119.2(3) . . . . ?
C67 P3 C69 C74 -15.6(3) . . . . ?
Cu2 P3 C69 C74 104.3(3) . . . . ?
C76 P3 C69 C70 74.8(3) . . . . ?
C67 P3 C69 C70 178.4(3) . . . . ?
Cu2 P3 C69 C70 -61.7(3) . . . . ?
C75 O5 C70 C71 -7.0(5) . . . . ?
C75 O5 C70 C69 172.7(3) . . . . ?
C74 C69 C70 O5 -179.4(3) . . . . ?
P3 C69 C70 O5 -12.6(4) . . . . ?
C74 C69 C70 C71 0.4(5) . . . . ?
P3 C69 C70 C71 167.2(3) . . . . ?
O5 C70 C71 C72 179.4(3) . . . . ?
C69 C70 C71 C72 -0.3(5) . . . . ?
C70 C71 C72 C73 0.5(6) . . . . ?
C71 C72 C73 C74 -0.8(6) . . . . ?
C70 C69 C74 C73 -0.7(5) . . . . ?
P3 C69 C74 C73 -166.5(3) . . . . ?
C72 C73 C74 C69 0.9(5) . . . . ?
C69 P3 C76 C81 11.5(4) . . . . ?
C67 P3 C76 C81 -95.9(3) . . . . ?
Cu2 P3 C76 C81 138.1(3) . . . . ?
C69 P3 C76 C77 -169.5(3) . . . . ?
C67 P3 C76 C77 83.0(3) . . . . ?
Cu2 P3 C76 C77 -43.0(3) . . . . ?
C82 O6 C77 C78 0.6(6) . . . . ?
C82 O6 C77 C76 -178.7(3) . . . . ?
C81 C76 C77 O6 177.5(3) . . . . ?
P3 C76 C77 O6 -1.5(4) . . . . ?
C81 C76 C77 C78 -1.9(6) . . . . ?
P3 C76 C77 C78 179.1(3) . . . . ?
O6 C77 C78 C79 -177.7(4) . . . . ?
C76 C77 C78 C79 1.6(6) . . . . ?
C77 C78 C79 C80 -0.5(8) . . . . ?
C78 C79 C80 C81 -0.3(9) . . . . ?
C79 C80 C81 C76 0.0(8) . . . . ?
C77 C76 C81 C80 1.1(6) . . . . ?
P3 C76 C81 C80 180.0(4) . . . . ?
C90 P4 C83 C88 123.6(3) . . . . ?
C68 P4 C83 C88 -127.2(3) . . . . ?
Cu2 P4 C83 C88 -3.0(3) . . . . ?
C90 P4 C83 C84 -64.1(3) . . . . ?
C68 P4 C83 C84 45.2(3) . . . . ?
Cu2 P4 C83 C84 169.4(2) . . . . ?
C89 O7 C84 C83 -173.0(3) . . . . ?
C89 O7 C84 C85 8.1(5) . . . . ?
C88 C83 C84 O7 -176.8(3) . . . . ?
P4 C83 C84 O7 11.0(4) . . . . ?
C88 C83 C84 C85 2.2(5) . . . . ?
P4 C83 C84 C85 -170.0(3) . . . . ?
O7 C84 C85 C86 177.9(3) . . . . ?
C83 C84 C85 C86 -1.0(5) . . . . ?
C84 C85 C86 C87 -1.6(6) . . . . ?
C85 C86 C87 C88 2.9(6) . . . . ?
C84 C83 C88 C87 -0.9(5) . . . . ?
P4 C83 C88 C87 171.8(3) . . . . ?
C86 C87 C88 C83 -1.6(5) . . . . ?
C83 P4 C90 C95 120.8(3) . . . . ?
C68 P4 C90 C95 15.2(3) . . . . ?
Cu2 P4 C90 C95 -105.2(3) . . . . ?
C83 P4 C90 C91 -73.0(3) . . . . ?
C68 P4 C90 C91 -178.5(2) . . . . ?
Cu2 P4 C90 C91 61.1(3) . . . . ?
C96 O8 C91 C92 2.5(5) . . . . ?
C96 O8 C91 C90 -176.5(3) . . . . ?
C95 C90 C91 O8 176.2(3) . . . . ?
P4 C90 C91 O8 9.2(4) . . . . ?
C95 C90 C91 C92 -2.8(5) . . . . ?
P4 C90 C91 C92 -169.8(3) . . . . ?
O8 C91 C92 C93 -177.5(3) . . . . ?
C90 C91 C92 C93 1.4(5) . . . . ?
C91 C92 C93 C94 0.4(5) . . . . ?
C92 C93 C94 C95 -0.7(6) . . . . ?
C91 C90 C95 C94 2.5(5) . . . . ?
P4 C90 C95 C94 168.6(3) . . . . ?
C93 C94 C95 C90 -0.8(5) . . . . ?
C108 N5 C97 C98 0.7(4) . . . . ?
Cu2 N5 C97 C98 -173.6(2) . . . . ?
N5 C97 C98 C99 -2.4(5) . . . . ?
N5 C97 C98 C109 174.9(3) . . . . ?
C97 C98 C99 C100 1.4(5) . . . . ?
C109 C98 C99 C100 -175.8(3) . . . . ?
C98 C99 C100 C108 1.0(5) . . . . ?
C98 C99 C100 C101 179.8(3) . . . . ?
C108 C100 C101 C102 2.6(6) . . . . ?
C99 C100 C101 C102 -176.2(4) . . . . ?
C100 C101 C102 C103 -1.1(6) . . . . ?
C101 C102 C103 C104 179.1(4) . . . . ?
C101 C102 C103 C107 -0.6(6) . . . . ?
C107 C103 C104 C105 -2.7(5) . . . . ?
C102 C103 C104 C105 177.6(4) . . . . ?
C103 C104 C105 C106 2.7(6) . . . . ?
C103 C104 C105 C122 -179.5(4) . . . . ?
C107 N6 C106 C105 -1.5(5) . . . . ?
Cu2 N6 C106 C105 178.0(3) . . . . ?
C104 C105 C106 N6 -0.6(6) . . . . ?
C122 C105 C106 N6 -178.5(4) . . . . ?
C106 N6 C107 C103 1.4(5) . . . . ?
Cu2 N6 C107 C103 -178.1(3) . . . . ?
C106 N6 C107 C108 -179.1(3) . . . . ?
Cu2 N6 C107 C108 1.3(4) . . . . ?
C104 C103 C107 N6 0.6(5) . . . . ?
C102 C103 C107 N6 -179.6(3) . . . . ?
C104 C103 C107 C108 -178.8(3) . . . . ?
C102 C103 C107 C108 0.9(5) . . . . ?
C97 N5 C108 C100 2.1(4) . . . . ?
Cu2 N5 C108 C100 177.5(2) . . . . ?
C97 N5 C108 C107 -177.5(3) . . . . ?
Cu2 N5 C108 C107 -2.0(3) . . . . ?
C99 C100 C108 N5 -2.9(5) . . . . ?
C101 C100 C108 N5 178.3(3) . . . . ?
C99 C100 C108 C107 176.6(3) . . . . ?
C101 C100 C108 C107 -2.2(5) . . . . ?
N6 C107 C108 N5 0.6(4) . . . . ?
C103 C107 C108 N5 -180.0(3) . . . . ?
N6 C107 C108 C100 -179.0(3) . . . . ?
C103 C107 C108 C100 0.5(5) . . . . ?
C99 C98 C109 C110 -144.9(3) . . . . ?
C97 C98 C109 C110 38.0(5) . . . . ?
C99 C98 C109 C114 37.6(5) . . . . ?
C97 C98 C109 C114 -139.5(3) . . . . ?
C114 C109 C110 C111 -1.0(5) . . . . ?
C98 C109 C110 C111 -178.5(3) . . . . ?
C109 C110 C111 C112 1.5(6) . . . . ?
C109 C110 C111 C115 -179.3(4) . . . . ?
C110 C111 C112 C113 -1.4(6) . . . . ?
C115 C111 C112 C113 179.4(4) . . . . ?
C111 C112 C113 C114 0.8(6) . . . . ?
C111 C112 C113 C116 179.4(4) . . . . ?
C112 C113 C114 C109 -0.4(5) . . . . ?
C116 C113 C114 C109 -178.9(3) . . . . ?
C110 C109 C114 C113 0.5(5) . . . . ?
C98 C109 C114 C113 178.0(3) . . . . ?
F15 F14A C115 F16A -91.8(18) . . . . ?
F14 F14A C115 F16A 66.3(13) . . . . ?
F15 F14A C115 F14 -158.1(13) . . . . ?
F15 F14A C115 F16 -40.1(15) . . . . ?
F14 F14A C115 F16 118.0(7) . . . . ?
F14 F14A C115 F15 158.1(13) . . . . ?
F15 F14A C115 C111 92.6(13) . . . . ?
F14 F14A C115 C111 -109.3(6) . . . . ?
F16 F16A C115 F14A 89.2(15) . . . . ?
F14 F16A C115 F14A -65.7(12) . . . . ?
F16 F16A C115 F14 154.8(12) . . . . ?
F14 F16A C115 F16 -154.8(12) . . . . ?
F16 F16A C115 F15 50.5(13) . . . . ?
F14 F16A C115 F15 -104.3(8) . . . . ?
F16 F16A C115 C111 -95.2(12) . . . . ?
F14 F16A C115 C111 110.0(6) . . . . ?
F16A F14 C115 F14A 133.3(10) . . . . ?
F14A F14 C115 F16A -133.3(10) . . . . ?
F14A F14 C115 F16 -112.9(10) . . . . ?
F16A F14 C115 F16 20.4(11) . . . . ?
F14A F14 C115 F15 -11.8(7) . . . . ?
F16A F14 C115 F15 121.4(8) . . . . ?
F14A F14 C115 C111 113.7(7) . . . . ?
F16A F14 C115 C111 -113.0(8) . . . . ?
F16A F16 C115 F14A -119.9(13) . . . . ?
F16A F16 C115 F14 -28.9(14) . . . . ?
F16A F16 C115 F15 -139.6(11) . . . . ?
F16A F16 C115 C111 105.1(11) . . . . ?
F14A F15 C115 F16A 111.3(16) . . . . ?
F14A F15 C115 F14 22.5(14) . . . . ?
F14A F15 C115 F16 144.5(14) . . . . ?
F14A F15 C115 C111 -102.4(14) . . . . ?
C112 C111 C115 F14A 175.0(8) . . . . ?
C110 C111 C115 F14A -4.3(10) . . . . ?
C112 C111 C115 F16A -1.2(11) . . . . ?
C110 C111 C115 F16A 179.5(10) . . . . ?
C112 C111 C115 F14 87.5(6) . . . . ?
C110 C111 C115 F14 -91.8(6) . . . . ?
C112 C111 C115 F16 -50.2(8) . . . . ?
C110 C111 C115 F16 130.5(7) . . . . ?
C112 C111 C115 F15 -150.2(5) . . . . ?
C110 C111 C115 F15 30.5(7) . . . . ?
F18 F19 C116 F17 -57.3(12) . . . . ?
F19A F19 C116 F17 108.7(6) . . . . ?
F18 F19 C116 F19A -166.0(11) . . . . ?
F18 F19 C116 F17A -143.7(11) . . . . ?
F19A F19 C116 F17A 22.2(8) . . . . ?
F19A F19 C116 F18 166.0(11) . . . . ?
F18 F19 C116 C113 85.4(11) . . . . ?
F19A F19 C116 C113 -108.7(5) . . . . ?
F17A F17 C116 F19 -107.2(10) . . . . ?
F17A F17 C116 F19A -25.6(7) . . . . ?
F17A F17 C116 F18 -135.4(7) . . . . ?
F17A F17 C116 C113 109.6(7) . . . . ?
F17A F19A C116 F19 149.8(11) . . . . ?
F17A F19A C116 F17 36.9(10) . . . . ?
F19 F19A C116 F17 -112.9(7) . . . . ?
F19 F19A C116 F17A -149.8(11) . . . . ?
F17A F19A C116 F18 141.7(10) . . . . ?
F19 F19A C116 F18 -8.1(7) . . . . ?
F17A F19A C116 C113 -98.6(9) . . . . ?
F19 F19A C116 C113 111.6(7) . . . . ?
F19A F17A C116 F19 -30.8(11) . . . . ?
F17 F17A C116 F19 115.2(7) . . . . ?
F19A F17A C116 F17 -146.0(9) . . . . ?
F17 F17A C116 F19A 146.0(9) . . . . ?
F19A F17A C116 F18 -59.0(13) . . . . ?
F17 F17A C116 F18 87.0(9) . . . . ?
F19A F17A C116 C113 102.0(8) . . . . ?
F17 F17A C116 C113 -112.0(5) . . . . ?
F19 F18 C116 F17 131.4(11) . . . . ?
F19 F18 C116 F19A 13.8(11) . . . . ?
F19 F18 C116 F17A 52.3(15) . . . . ?
F19 F18 C116 C113 -109.1(11) . . . . ?
C114 C113 C116 F19 82.5(8) . . . . ?
C112 C113 C116 F19 -96.0(8) . . . . ?
C114 C113 C116 F17 -133.8(4) . . . . ?
C112 C113 C116 F17 47.7(5) . . . . ?
C114 C113 C116 F19A 1.4(7) . . . . ?
C112 C113 C116 F19A -177.1(5) . . . . ?
C114 C113 C116 F17A -47.5(8) . . . . ?
C112 C113 C116 F17A 134.0(7) . . . . ?
C114 C113 C116 F18 118.6(5) . . . . ?
C112 C113 C116 F18 -59.9(6) . . . . ?
C130 C117 C118 C128 -51(3) . . . . ?
C122 C117 C118 C128 32(3) . . . . ?
C125 C117 C118 C128 68(3) . . . . ?
C127 C117 C118 C128 -56(3) . . . . ?
C130 C117 C118 C127 5.3(13) . . . . ?
C122 C117 C118 C127 88.5(11) . . . . ?
C125 C117 C118 C127 124.3(11) . . . . ?
C130 C117 C118 C119 -85.0(12) . . . . ?
C122 C117 C118 C119 -1.8(11) . . . . ?
C125 C117 C118 C119 34.0(10) . . . . ?
C127 C117 C118 C119 -90.3(11) . . . . ?
C130 C117 C118 C126 -118.7(12) . . . . ?
C122 C117 C118 C126 -35.5(11) . . . . ?
C125 C117 C118 C126 0.3(11) . . . . ?
C127 C117 C118 C126 -124.0(13) . . . . ?
C130 C117 C118 C123 92.2(11) . . . . ?
C122 C117 C118 C123 175.4(7) . . . . ?
C125 C117 C118 C123 -148.8(9) . . . . ?
C127 C117 C118 C123 86.9(11) . . . . ?
C122 C117 C118 C130 83.2(10) . . . . ?
C125 C117 C118 C130 119.0(11) . . . . ?
C127 C117 C118 C130 -5.3(13) . . . . ?
C127 C118 C119 C128 48(4) . . . . ?
C117 C118 C119 C128 133(4) . . . . ?
C126 C118 C119 C128 -172(4) . . . . ?
C123 C118 C119 C128 -45(4) . . . . ?
C130 C118 C119 C128 91(4) . . . . ?
C128 C118 C119 C126 172(4) . . . . ?
C127 C118 C119 C126 -140.6(15) . . . . ?
C117 C118 C119 C126 -55.7(14) . . . . ?
C123 C118 C119 C126 127.0(14) . . . . ?
C130 C118 C119 C126 -97.5(15) . . . . ?
C128 C118 C119 C120 -133(4) . . . . ?
C127 C118 C119 C120 -85.1(12) . . . . ?
C117 C118 C119 C120 -0.1(12) . . . . ?
C126 C118 C119 C120 55.6(13) . . . . ?
C123 C118 C119 C120 -177.4(8) . . . . ?
C130 C118 C119 C120 -42.0(13) . . . . ?
C128 C118 C119 C131 139(4) . . . . ?
C127 C118 C119 C131 -173.6(13) . . . . ?
C117 C118 C119 C131 -88.6(12) . . . . ?
C126 C118 C119 C131 -32.9(16) . . . . ?
C123 C118 C119 C131 94.1(13) . . . . ?
C130 C118 C119 C131 -130.4(13) . . . . ?
C128 C118 C119 C127 -48(4) . . . . ?
C117 C118 C119 C127 84.9(10) . . . . ?
C126 C118 C119 C127 140.6(15) . . . . ?
C123 C118 C119 C127 -92.4(11) . . . . ?
C130 C118 C119 C127 43.1(11) . . . . ?
C128 C119 C120 C121 -37(4) . . . . ?
C126 C119 C120 C121 57.0(15) . . . . ?
C118 C119 C120 C121 -0.1(13) . . . . ?
C131 C119 C120 C121 103.9(11) . . . . ?
C127 C119 C120 C121 -44.5(11) . . . . ?
C128 C119 C120 C126 -94(4) . . . . ?
C118 C119 C120 C126 -57.1(13) . . . . ?
C131 C119 C120 C126 46.9(15) . . . . ?
C127 C119 C120 C126 -101.5(15) . . . . ?
C128 C119 C120 C124 143(4) . . . . ?
C126 C119 C120 C124 -123.2(17) . . . . ?
C118 C119 C120 C124 179.7(11) . . . . ?
C131 C119 C120 C124 -76.3(13) . . . . ?
C127 C119 C120 C124 135.2(12) . . . . ?
C128 C119 C120 C125 -64(4) . . . . ?
C126 C119 C120 C125 30.3(14) . . . . ?
C118 C119 C120 C125 -26.8(10) . . . . ?
C131 C119 C120 C125 77.3(10) . . . . ?
C127 C119 C120 C125 -71.2(10) . . . . ?
C126 C119 C120 C128 94(4) . . . . ?
C118 C119 C120 C128 37(4) . . . . ?
C131 C119 C120 C128 141(4) . . . . ?
C127 C119 C120 C128 -8(4) . . . . ?
C119 C120 C121 C125 -39.1(13) . . . . ?
C126 C120 C121 C125 -3.8(14) . . . . ?
C124 C120 C121 C125 141.1(14) . . . . ?
C128 C120 C121 C125 -48.8(14) . . . . ?
C119 C120 C121 C122 2.0(11) . . . . ?
C126 C120 C121 C122 37.3(11) . . . . ?
C124 C120 C121 C122 -177.8(10) . . . . ?
C125 C120 C121 C122 41.1(10) . . . . ?
C128 C120 C121 C122 -7.7(11) . . . . ?
C119 C120 C121 C126 -35.3(10) . . . . ?
C124 C120 C121 C126 144.9(15) . . . . ?
C125 C120 C121 C126 3.8(14) . . . . ?
C128 C120 C121 C126 -45.0(13) . . . . ?
C130 C117 C122 C125 146.5(12) . . . . ?
C118 C117 C122 C125 53.4(10) . . . . ?
C127 C117 C122 C125 103.5(12) . . . . ?
C130 C117 C122 C121 96.7(9) . . . . ?
C118 C117 C122 C121 3.7(9) . . . . ?
C125 C117 C122 C121 -49.7(9) . . . . ?
C127 C117 C122 C121 53.7(10) . . . . ?
C130 C117 C122 C105 -83.4(9) . . . . ?
C118 C117 C122 C105 -176.4(5) . . . . ?
C125 C117 C122 C105 130.2(10) . . . . ?
C127 C117 C122 C105 -126.4(8) . . . . ?
C118 C117 C122 C130 -93.0(10) . . . . ?
C125 C117 C122 C130 -146.5(12) . . . . ?
C127 C117 C122 C130 -43.0(11) . . . . ?
C120 C121 C122 C125 -61.7(13) . . . . ?
C126 C121 C122 C125 -36.7(14) . . . . ?
C125 C121 C122 C117 57.9(13) . . . . ?
C120 C121 C122 C117 -3.8(9) . . . . ?
C126 C121 C122 C117 21.2(8) . . . . ?
C125 C121 C122 C105 -122.0(13) . . . . ?
C120 C121 C122 C105 176.3(5) . . . . ?
C126 C121 C122 C105 -158.7(7) . . . . ?
C125 C121 C122 C130 112.8(15) . . . . ?
C120 C121 C122 C130 51.1(11) . . . . ?
C126 C121 C122 C130 76.1(11) . . . . ?
C104 C105 C122 C125 54.5(14) . . . . ?
C106 C105 C122 C125 -127.7(13) . . . . ?
C104 C105 C122 C117 -50.3(7) . . . . ?
C106 C105 C122 C117 127.5(5) . . . . ?
C104 C105 C122 C121 129.6(5) . . . . ?
C106 C105 C122 C121 -52.6(6) . . . . ?
C104 C105 C122 C130 -102.2(8) . . . . ?
C106 C105 C122 C130 75.6(8) . . . . ?
F22A F22 C123 F20 -43.7(16) . . . . ?
C129 F22 C123 F20 -95.6(12) . . . . ?
F22A F22 C123 F21 -155.4(14) . . . . ?
C129 F22 C123 F21 152.7(11) . . . . ?
F22A F22 C123 C118 86.9(16) . . . . ?
C129 F22 C123 C118 35.0(13) . . . . ?
F22A F22 C123 C128 106.0(18) . . . . ?
C129 F22 C123 C128 54.1(15) . . . . ?
F22A F22 C123 C127 67.3(16) . . . . ?
C129 F22 C123 C127 15.5(12) . . . . ?
C128 C118 C123 F22 43(2) . . . . ?
C127 C118 C123 F22 -29.5(11) . . . . ?
C119 C118 C123 F22 64.6(10) . . . . ?
C117 C118 C123 F22 -112.7(8) . . . . ?
C126 C118 C123 F22 113.4(16) . . . . ?
C130 C118 C123 F22 -68.7(10) . . . . ?
C128 C118 C123 F20 173(2) . . . . ?
C127 C118 C123 F20 100.8(10) . . . . ?
C119 C118 C123 F20 -165.2(7) . . . . ?
C117 C118 C123 F20 17.6(11) . . . . ?
C126 C118 C123 F20 -116.3(16) . . . . ?
C130 C118 C123 F20 61.6(11) . . . . ?
C128 C118 C123 F21 -69(2) . . . . ?
C127 C118 C123 F21 -141.3(9) . . . . ?
C119 C118 C123 F21 -47.2(10) . . . . ?
C117 C118 C123 F21 135.5(7) . . . . ?
C126 C118 C123 F21 1.6(17) . . . . ?
C130 C118 C123 F21 179.5(8) . . . . ?
C127 C118 C123 C128 -73(2) . . . . ?
C119 C118 C123 C128 21(2) . . . . ?
C117 C118 C123 C128 -156(2) . . . . ?
C126 C118 C123 C128 70(2) . . . . ?
C130 C118 C123 C128 -112(2) . . . . ?
C128 C118 C123 C127 73(2) . . . . ?
C119 C118 C123 C127 94.1(10) . . . . ?
C117 C118 C123 C127 -83.2(10) . . . . ?
C126 C118 C123 C127 142.9(18) . . . . ?
C130 C118 C123 C127 -39.2(10) . . . . ?
F23B F23A C124 F23 -82(3) . . . . ?
F23C F23A C124 F23 77(2) . . . . ?
F23C F23A C124 F23B 158.3(11) . . . . ?
F23B F23A C124 F23C -158.3(11) . . . . ?
F23B F23A C124 C120 102.7(18) . . . . ?
F23C F23A C124 C120 -99.0(19) . . . . ?
F24A F23 C124 F23A -125(3) . . . . ?
F24A F23 C124 F23B 163.4(15) . . . . ?
F24A F23 C124 F23C -56.3(12) . . . . ?
F24A F23 C124 C120 50.5(15) . . . . ?
F23A F23B C124 F23 127.9(11) . . . . ?
F23A F23B C124 F23C 34(2) . . . . ?
F23A F23B C124 C120 -114.0(11) . . . . ?
F23A F23C C124 F23 -129.3(11) . . . . ?
F23A F23C C124 F23B -34(2) . . . . ?
F23A F23C C124 C120 114.8(10) . . . . ?
C119 C120 C124 F23A -179(2) . . . . ?
C121 C120 C124 F23A 1(3) . . . . ?
C126 C120 C124 F23A 128(3) . . . . ?
C125 C120 C124 F23A 51(3) . . . . ?
C128 C120 C124 F23A -167(2) . . . . ?
C119 C120 C124 F23 5(2) . . . . ?
C121 C120 C124 F23 -175.5(12) . . . . ?
C126 C120 C124 F23 -49(3) . . . . ?
C125 C120 C124 F23 -125.1(15) . . . . ?
C128 C120 C124 F23 17(2) . . . . ?
C119 C120 C124 F23B -99.2(16) . . . . ?
C121 C120 C124 F23B 80.6(18) . . . . ?
C126 C120 C124 F23B -152.4(19) . . . . ?
C125 C120 C124 F23B 131.0(19) . . . . ?
C128 C120 C124 F23B -86.6(19) . . . . ?
C119 C120 C124 F23C 101.6(17) . . . . ?
C121 C120 C124 F23C -78.6(17) . . . . ?
C126 C120 C124 F23C 48(2) . . . . ?
C125 C120 C124 F23C -28(2) . . . . ?
C128 C120 C124 F23C 114.1(19) . . . . ?
C117 C122 C125 C121 -130.8(8) . . . . ?
C105 C122 C125 C121 103.9(9) . . . . ?
C130 C122 C125 C121 -102.0(11) . . . . ?
C117 C122 C125 C126 -54.4(18) . . . . ?
C121 C122 C125 C126 76.5(17) . . . . ?
C105 C122 C125 C126 -179.7(12) . . . . ?
C130 C122 C125 C126 -26(2) . . . . ?
C121 C122 C125 C117 130.8(8) . . . . ?
C105 C122 C125 C117 -125.3(10) . . . . ?
C130 C122 C125 C117 28.9(10) . . . . ?
C117 C122 C125 C120 -96.9(10) . . . . ?
C121 C122 C125 C120 33.9(6) . . . . ?
C105 C122 C125 C120 137.8(7) . . . . ?
C130 C122 C125 C120 -68.1(14) . . . . ?
C120 C121 C125 C122 129.0(10) . . . . ?
C126 C121 C125 C122 125.3(19) . . . . ?
C120 C121 C125 C126 3.6(13) . . . . ?
C122 C121 C125 C126 -125.3(19) . . . . ?
C120 C121 C125 C117 89.2(10) . . . . ?
C122 C121 C125 C117 -39.8(7) . . . . ?
C126 C121 C125 C117 85.6(16) . . . . ?
C122 C121 C125 C120 -129.0(10) . . . . ?
C126 C121 C125 C120 -3.6(13) . . . . ?
C130 C117 C125 C122 -38.4(13) . . . . ?
C118 C117 C125 C122 -137.1(8) . . . . ?
C127 C117 C125 C122 -96.8(10) . . . . ?
C130 C117 C125 C121 9.4(16) . . . . ?
C122 C117 C125 C121 47.8(8) . . . . ?
C118 C117 C125 C121 -89.4(10) . . . . ?
C127 C117 C125 C121 -49.1(13) . . . . ?
C130 C117 C125 C126 98.5(15) . . . . ?
C122 C117 C125 C126 136.8(14) . . . . ?
C118 C117 C125 C126 -0.3(11) . . . . ?
C127 C117 C125 C126 40.0(13) . . . . ?
C130 C117 C125 C120 55.5(13) . . . . ?
C122 C117 C125 C120 93.9(9) . . . . ?
C118 C117 C125 C120 -43.2(7) . . . . ?
C127 C117 C125 C120 -2.9(12) . . . . ?
C128 C119 C126 C131 -129(3) . . . . ?
C120 C119 C126 C131 95.7(19) . . . . ?
C118 C119 C126 C131 -134.1(19) . . . . ?
C127 C119 C126 C131 -160.2(17) . . . . ?
C128 C119 C126 C120 135(2) . . . . ?
C118 C119 C126 C120 130.2(8) . . . . ?
C131 C119 C126 C120 -95.7(19) . . . . ?
C127 C119 C126 C120 104.0(9) . . . . ?
C120 C119 C126 C128 -135(2) . . . . ?
C118 C119 C126 C128 -5(2) . . . . ?
C131 C119 C126 C128 129(3) . . . . ?
C127 C119 C126 C128 -31(2) . . . . ?
C128 C119 C126 C118 5(2) . . . . ?
C120 C119 C126 C118 -130.2(8) . . . . ?
C131 C119 C126 C118 134.1(19) . . . . ?
C127 C119 C126 C118 -26.2(9) . . . . ?
C128 C119 C126 C125 73(3) . . . . ?
C120 C119 C126 C125 -62(2) . . . . ?
C118 C119 C126 C125 69(2) . . . . ?
C131 C119 C126 C125 -157(4) . . . . ?
C127 C119 C126 C125 42(3) . . . . ?
C128 C119 C126 C121 105(3) . . . . ?
C120 C119 C126 C121 -29.7(6) . . . . ?
C118 C119 C126 C121 100.5(10) . . . . ?
C131 C119 C126 C121 -125(2) . . . . ?
C127 C119 C126 C121 74.4(12) . . . . ?
C121 C120 C126 C119 -134.1(12) . . . . ?
C124 C120 C126 C119 90.8(18) . . . . ?
C125 C120 C126 C119 -137.7(19) . . . . ?
C128 C120 C126 C119 -21.3(13) . . . . ?
C119 C120 C126 C131 -98(2) . . . . ?
C121 C120 C126 C131 128(2) . . . . ?
C124 C120 C126 C131 -7(3) . . . . ?
C125 C120 C126 C131 124(3) . . . . ?
C128 C120 C126 C131 -119(3) . . . . ?
C119 C120 C126 C128 21.3(13) . . . . ?
C121 C120 C126 C128 -112.8(16) . . . . ?
C124 C120 C126 C128 112.2(19) . . . . ?
C125 C120 C126 C128 -116(2) . . . . ?
C119 C120 C126 C118 47.4(11) . . . . ?
C121 C120 C126 C118 -86.7(14) . . . . ?
C124 C120 C126 C118 138.2(14) . . . . ?
C125 C120 C126 C118 -90.4(17) . . . . ?
C128 C120 C126 C118 26.0(13) . . . . ?
C119 C120 C126 C125 137.7(19) . . . . ?
C121 C120 C126 C125 3.6(13) . . . . ?
C124 C120 C126 C125 -131.4(16) . . . . ?
C128 C120 C126 C125 116(2) . . . . ?
C119 C120 C126 C121 134.1(12) . . . . ?
C124 C120 C126 C121 -135.0(17) . . . . ?
C125 C120 C126 C121 -3.6(13) . . . . ?
C128 C120 C126 C121 112.8(16) . . . . ?
C128 C118 C126 C119 -4(2) . . . . ?
C127 C118 C126 C119 49.9(17) . . . . ?
C117 C118 C126 C119 134.5(10) . . . . ?
C123 C118 C126 C119 -83.3(16) . . . . ?
C130 C118 C126 C119 98.7(13) . . . . ?
C128 C118 C126 C131 76(4) . . . . ?
C127 C118 C126 C131 130(3) . . . . ?
C119 C118 C126 C131 80(3) . . . . ?
C117 C118 C126 C131 -145(3) . . . . ?
C123 C118 C126 C131 -3(4) . . . . ?
C130 C118 C126 C131 179(3) . . . . ?
C128 C118 C126 C120 -53(2) . . . . ?
C127 C118 C126 C120 2(2) . . . . ?
C119 C118 C126 C120 -48.3(12) . . . . ?
C117 C118 C126 C120 86.2(14) . . . . ?
C123 C118 C126 C120 -131.6(11) . . . . ?
C130 C118 C126 C120 50.4(18) . . . . ?
C127 C118 C126 C128 54(2) . . . . ?
C119 C118 C126 C128 4(2) . . . . ?
C117 C118 C126 C128 139(2) . . . . ?
C123 C118 C126 C128 -79(2) . . . . ?
C130 C118 C126 C128 103(2) . . . . ?
C128 C118 C126 C125 -139(2) . . . . ?
C127 C118 C126 C125 -84.9(17) . . . . ?
C119 C118 C126 C125 -134.8(17) . . . . ?
C117 C118 C126 C125 -0.3(12) . . . . ?
C123 C118 C126 C125 141.9(11) . . . . ?
C130 C118 C126 C125 -36.1(15) . . . . ?
C128 C118 C126 C121 -97(2) . . . . ?
C127 C118 C126 C121 -42.8(18) . . . . ?
C119 C118 C126 C121 -92.7(13) . . . . ?
C117 C118 C126 C121 41.8(10) . . . . ?
C123 C118 C126 C121 -176.0(7) . . . . ?
C130 C118 C126 C121 6.0(15) . . . . ?
C122 C125 C126 C119 -15(4) . . . . ?
C121 C125 C126 C119 50(3) . . . . ?
C117 C125 C126 C119 -57(3) . . . . ?
C120 C125 C126 C119 54(2) . . . . ?
C122 C125 C126 C131 -168(2) . . . . ?
C121 C125 C126 C131 -103(2) . . . . ?
C117 C125 C126 C131 150(2) . . . . ?
C120 C125 C126 C131 -99(2) . . . . ?
C122 C125 C126 C120 -69(2) . . . . ?
C121 C125 C126 C120 -3.6(13) . . . . ?
C117 C125 C126 C120 -110.5(11) . . . . ?
C122 C125 C126 C128 18(3) . . . . ?
C121 C125 C126 C128 83(2) . . . . ?
C117 C125 C126 C128 -23(2) . . . . ?
C120 C125 C126 C128 87(2) . . . . ?
C122 C125 C126 C118 42(2) . . . . ?
C121 C125 C126 C118 107.2(13) . . . . ?
C117 C125 C126 C118 0.3(10) . . . . ?
C120 C125 C126 C118 110.8(15) . . . . ?
C122 C125 C126 C121 -65.6(14) . . . . ?
C117 C125 C126 C121 -106.9(13) . . . . ?
C120 C125 C126 C121 3.6(13) . . . . ?
C119 C118 C127 C128 -24(2) . . . . ?
C117 C118 C127 C128 -144(2) . . . . ?
C126 C118 C127 C128 -54(2) . . . . ?
C123 C118 C127 C128 94(2) . . . . ?
C130 C118 C127 C128 -139(2) . . . . ?
C128 C118 C127 C130 139(2) . . . . ?
C119 C118 C127 C130 115.6(11) . . . . ?
C117 C118 C127 C130 -4.7(11) . . . . ?
C126 C118 C127 C130 84.7(17) . . . . ?
C123 C118 C127 C130 -126.6(11) . . . . ?
C128 C118 C127 C129 -78(3) . . . . ?
C119 C118 C127 C129 -102(2) . . . . ?
C117 C118 C127 C129 138(2) . . . . ?
C126 C118 C127 C129 -133(2) . . . . ?
C123 C118 C127 C129 16(2) . . . . ?
C130 C118 C127 C129 143(3) . . . . ?
C128 C118 C127 C117 144(2) . . . . ?
C119 C118 C127 C117 120.3(6) . . . . ?
C126 C118 C127 C117 89.4(13) . . . . ?
C123 C118 C127 C117 -121.9(6) . . . . ?
C130 C118 C127 C117 4.7(11) . . . . ?
C128 C118 C127 C119 24(2) . . . . ?
C117 C118 C127 C119 -120.3(6) . . . . ?
C126 C118 C127 C119 -30.9(12) . . . . ?
C123 C118 C127 C119 117.8(7) . . . . ?
C130 C118 C127 C119 -115.6(11) . . . . ?
C128 C118 C127 C123 -94(2) . . . . ?
C119 C118 C127 C123 -117.8(7) . . . . ?
C117 C118 C127 C123 121.9(6) . . . . ?
C126 C118 C127 C123 -148.7(15) . . . . ?
C130 C118 C127 C123 126.6(11) . . . . ?
C130 C117 C127 C118 -173.3(16) . . . . ?
C122 C117 C127 C118 -115.1(8) . . . . ?
C125 C117 C127 C118 -64.4(11) . . . . ?
C130 C117 C127 C128 -152(2) . . . . ?
C122 C117 C127 C128 -93.8(16) . . . . ?
C118 C117 C127 C128 21.2(14) . . . . ?
C125 C117 C127 C128 -43.2(18) . . . . ?
C122 C117 C127 C130 58.3(13) . . . . ?
C118 C117 C127 C130 173.3(16) . . . . ?
C125 C117 C127 C130 108.9(14) . . . . ?
C130 C117 C127 C129 79(4) . . . . ?
C122 C117 C127 C129 137(3) . . . . ?
C118 C117 C127 C129 -108(4) . . . . ?
C125 C117 C127 C129 -172(3) . . . . ?
C130 C117 C127 C119 -135.1(13) . . . . ?
C122 C117 C127 C119 -76.9(7) . . . . ?
C118 C117 C127 C119 38.2(6) . . . . ?
C125 C117 C127 C119 -26.2(10) . . . . ?
C130 C117 C127 C123 147.0(14) . . . . ?
C122 C117 C127 C123 -154.7(6) . . . . ?
C118 C117 C127 C123 -39.7(6) . . . . ?
C125 C117 C127 C123 -104.1(9) . . . . ?
C126 C119 C128 C118 -8(4) . . . . ?
C120 C119 C128 C118 71(5) . . . . ?
C131 C119 C128 C118 -55(5) . . . . ?
C127 C119 C128 C118 86(5) . . . . ?
C126 C119 C128 C127 -94(5) . . . . ?
C120 C119 C128 C127 -15(8) . . . . ?
C118 C119 C128 C127 -86(5) . . . . ?
C131 C119 C128 C127 -141(3) . . . . ?
C120 C119 C128 C126 79(3) . . . . ?
C118 C119 C128 C126 8(4) . . . . ?
C131 C119 C128 C126 -47(2) . . . . ?
C127 C119 C128 C126 94(5) . . . . ?
C126 C119 C128 C123 60(6) . . . . ?
C120 C119 C128 C123 139(4) . . . . ?
C118 C119 C128 C123 68(5) . . . . ?
C131 C119 C128 C123 13(8) . . . . ?
C127 C119 C128 C123 154(10) . . . . ?
C126 C119 C128 C120 -79(3) . . . . ?
C118 C119 C128 C120 -71(5) . . . . ?
C131 C119 C128 C120 -126(5) . . . . ?
C127 C119 C128 C120 15(8) . . . . ?
C127 C118 C128 C119 -129(4) . . . . ?
C117 C118 C128 C119 -69(5) . . . . ?
C126 C118 C128 C119 6(3) . . . . ?
C123 C118 C128 C119 141(3) . . . . ?
C130 C118 C128 C119 -100(3) . . . . ?
C119 C118 C128 C127 129(4) . . . . ?
C117 C118 C128 C127 60(3) . . . . ?
C126 C118 C128 C127 135.2(16) . . . . ?
C123 C118 C128 C127 -89.2(12) . . . . ?
C130 C118 C128 C127 29.2(16) . . . . ?
C127 C118 C128 C126 -135.2(16) . . . . ?
C119 C118 C128 C126 -6(3) . . . . ?
C117 C118 C128 C126 -75(3) . . . . ?
C123 C118 C128 C126 135.5(11) . . . . ?
C130 C118 C128 C126 -106.0(14) . . . . ?
C127 C118 C128 C123 89.2(12) . . . . ?
C119 C118 C128 C123 -141(3) . . . . ?
C117 C118 C128 C123 149(3) . . . . ?
C126 C118 C128 C123 -135.5(11) . . . . ?
C130 C118 C128 C123 118.5(13) . . . . ?
C127 C118 C128 C120 -102.9(18) . . . . ?
C119 C118 C128 C120 27(2) . . . . ?
C117 C118 C128 C120 -43(4) . . . . ?
C126 C118 C128 C120 32.4(13) . . . . ?
C123 C118 C128 C120 167.9(12) . . . . ?
C130 C118 C128 C120 -73.6(19) . . . . ?
C118 C127 C128 C119 106(5) . . . . ?
C130 C127 C128 C119 56(6) . . . . ?
C129 C127 C128 C119 -128(5) . . . . ?
C117 C127 C128 C119 79(5) . . . . ?
C123 C127 C128 C119 165(6) . . . . ?
C130 C127 C128 C118 -50(3) . . . . ?
C129 C127 C128 C118 126(2) . . . . ?
C117 C127 C128 C118 -27.3(16) . . . . ?
C119 C127 C128 C118 -106(5) . . . . ?
C123 C127 C128 C118 58.9(16) . . . . ?
C118 C127 C128 C126 53(2) . . . . ?
C130 C127 C128 C126 4(4) . . . . ?
C129 C127 C128 C126 179(3) . . . . ?
C117 C127 C128 C126 26(3) . . . . ?
C119 C127 C128 C126 -53(4) . . . . ?
C123 C127 C128 C126 112(3) . . . . ?
C118 C127 C128 C123 -58.9(16) . . . . ?
C130 C127 C128 C123 -108.8(19) . . . . ?
C129 C127 C128 C123 67(2) . . . . ?
C117 C127 C128 C123 -86.2(9) . . . . ?
C119 C127 C128 C123 -165(6) . . . . ?
C118 C127 C128 C120 99(2) . . . . ?
C130 C127 C128 C120 49(3) . . . . ?
C129 C127 C128 C120 -135(2) . . . . ?
C117 C127 C128 C120 72.1(15) . . . . ?
C119 C127 C128 C120 -7(4) . . . . ?
C123 C127 C128 C120 158(2) . . . . ?
C131 C126 C128 C119 60(3) . . . . ?
C120 C126 C128 C119 -40(2) . . . . ?
C118 C126 C128 C119 -172(4) . . . . ?
C125 C126 C128 C119 -126(3) . . . . ?
C121 C126 C128 C119 -81(3) . . . . ?
C119 C126 C128 C118 172(4) . . . . ?
C131 C126 C128 C118 -128(3) . . . . ?
C120 C126 C128 C118 132(2) . . . . ?
C125 C126 C128 C118 47(3) . . . . ?
C121 C126 C128 C118 91(2) . . . . ?
C119 C126 C128 C127 120(4) . . . . ?
C131 C126 C128 C127 -179(3) . . . . ?
C120 C126 C128 C127 80(3) . . . . ?
C118 C126 C128 C127 -52(3) . . . . ?
C125 C126 C128 C127 -5(4) . . . . ?
C121 C126 C128 C127 39(3) . . . . ?
C119 C126 C128 C123 -147(4) . . . . ?
C131 C126 C128 C123 -87(3) . . . . ?
C120 C126 C128 C123 172.3(18) . . . . ?
C118 C126 C128 C123 40.4(16) . . . . ?
C125 C126 C128 C123 87(2) . . . . ?
C121 C126 C128 C123 131.7(16) . . . . ?
C119 C126 C128 C120 40(2) . . . . ?
C131 C126 C128 C120 101(3) . . . . ?
C118 C126 C128 C120 -132(2) . . . . ?
C125 C126 C128 C120 -85.2(17) . . . . ?
C121 C126 C128 C120 -40.6(7) . . . . ?
F22 C123 C128 C119 132(6) . . . . ?
F20 C123 C128 C119 -97(6) . . . . ?
F21 C123 C128 C119 31(6) . . . . ?
C118 C123 C128 C119 -88(6) . . . . ?
C127 C123 C128 C119 -161(7) . . . . ?
F22 C123 C128 C118 -141(2) . . . . ?
F20 C123 C128 C118 -10(3) . . . . ?
F21 C123 C128 C118 118(2) . . . . ?
C127 C123 C128 C118 -73(2) . . . . ?
F22 C123 C128 C127 -67.5(16) . . . . ?
F20 C123 C128 C127 64(2) . . . . ?
F21 C123 C128 C127 -168.5(15) . . . . ?
C118 C123 C128 C127 73(2) . . . . ?
F22 C123 C128 C126 171(2) . . . . ?
F20 C123 C128 C126 -57(3) . . . . ?
F21 C123 C128 C126 70(2) . . . . ?
C118 C123 C128 C126 -47.8(18) . . . . ?
C127 C123 C128 C126 -121(3) . . . . ?
F22 C123 C128 C120 -174(5) . . . . ?
F20 C123 C128 C120 -43(6) . . . . ?
F21 C123 C128 C120 85(5) . . . . ?
C118 C123 C128 C120 -33(4) . . . . ?
C127 C123 C128 C120 -107(6) . . . . ?
F22 F22A C129 F22C 170(2) . . . . ?
F22 F22A C129 F22B -85(3) . . . . ?
F22 F22A C129 C127 47(2) . . . . ?
C118 C127 C129 F22A -27(3) . . . . ?
C128 C127 C129 F22A -69(3) . . . . ?
C130 C127 C129 F22A 107(3) . . . . ?
C117 C127 C129 F22A 53(4) . . . . ?
C119 C127 C129 F22A -85(2) . . . . ?
C123 C127 C129 F22A -15(2) . . . . ?
C118 C127 C129 F22C -145(2) . . . . ?
C128 C127 C129 F22C 174(2) . . . . ?
C130 C127 C129 F22C -11(4) . . . . ?
C117 C127 C129 F22C -65(5) . . . . ?
C119 C127 C129 F22C 157.2(17) . . . . ?
C123 C127 C129 F22C -133(2) . . . . ?
C118 C127 C129 F22B 109(3) . . . . ?
C128 C127 C129 F22B 67(3) . . . . ?
C130 C127 C129 F22B -117(2) . . . . ?
C117 C127 C129 F22B -172(2) . . . . ?
C119 C127 C129 F22B 51(3) . . . . ?
C123 C127 C129 F22B 120.7(19) . . . . ?
C118 C127 C129 F22 1(2) . . . . ?
C128 C127 C129 F22 -41(3) . . . . ?
C130 C127 C129 F22 134.9(17) . . . . ?
C117 C127 C129 F22 80(3) . . . . ?
C119 C127 C129 F22 -57(2) . . . . ?
C123 C127 C129 F22 12.6(10) . . . . ?
C123 F22 C129 F22A 118(2) . . . . ?
F22A F22 C129 F22C -16(3) . . . . ?
C123 F22 C129 F22C 102(3) . . . . ?
F22A F22 C129 F22B 112(3) . . . . ?
C123 F22 C129 F22B -130.2(15) . . . . ?
F22A F22 C129 C127 -138(3) . . . . ?
C123 F22 C129 C127 -20.4(15) . . . . ?
C122 C117 C130 C127 -126.2(11) . . . . ?
C118 C117 C130 C127 -4.8(11) . . . . ?
C125 C117 C130 C127 -98.9(13) . . . . ?
C118 C117 C130 C122 121.4(6) . . . . ?
C125 C117 C130 C122 27.3(9) . . . . ?
C127 C117 C130 C122 126.2(11) . . . . ?
C122 C117 C130 C118 -121.4(6) . . . . ?
C125 C117 C130 C118 -94.0(10) . . . . ?
C127 C117 C130 C118 4.8(11) . . . . ?
C118 C127 C130 C117 5.1(12) . . . . ?
C128 C127 C130 C117 33(2) . . . . ?
C129 C127 C130 C117 -143(2) . . . . ?
C119 C127 C130 C117 48.1(13) . . . . ?
C123 C127 C130 C117 -38.5(18) . . . . ?
C118 C127 C130 C122 -37.2(16) . . . . ?
C128 C127 C130 C122 -9(3) . . . . ?
C129 C127 C130 C122 175(2) . . . . ?
C117 C127 C130 C122 -42.4(11) . . . . ?
C119 C127 C130 C122 5.7(18) . . . . ?
C123 C127 C130 C122 -80.9(18) . . . . ?
C128 C127 C130 C118 28(2) . . . . ?
C129 C127 C130 C118 -148(3) . . . . ?
C117 C127 C130 C118 -5.1(12) . . . . ?
C119 C127 C130 C118 43.0(10) . . . . ?
C123 C127 C130 C118 -43.7(12) . . . . ?
C125 C122 C130 C117 -38.7(13) . . . . ?
C121 C122 C130 C117 -108.8(7) . . . . ?
C105 C122 C130 C117 120.5(7) . . . . ?
C125 C122 C130 C127 21(2) . . . . ?
C117 C122 C130 C127 60.0(14) . . . . ?
C121 C122 C130 C127 -48.8(17) . . . . ?
C105 C122 C130 C127 -179.5(12) . . . . ?
C125 C122 C130 C118 -2.1(13) . . . . ?
C117 C122 C130 C118 36.6(5) . . . . ?
C121 C122 C130 C118 -72.2(7) . . . . ?
C105 C122 C130 C118 157.2(4) . . . . ?
F23 F24A C131 F24 -142(3) . . . . ?
F23 F24A C131 F24B 111(4) . . . . ?
F23 F24A C131 C126 -8(6) . . . . ?
F23 F24A C131 C119 -29(4) . . . . ?
C119 C126 C131 F24A -42(3) . . . . ?
C120 C126 C131 F24A 25(3) . . . . ?
C128 C126 C131 F24A -69(4) . . . . ?
C118 C126 C131 F24A -107(3) . . . . ?
C125 C126 C131 F24A 117(3) . . . . ?
C121 C126 C131 F24A 65(4) . . . . ?
C119 C126 C131 F24 88(3) . . . . ?
C120 C126 C131 F24 156(2) . . . . ?
C128 C126 C131 F24 61(4) . . . . ?
C118 C126 C131 F24 24(5) . . . . ?
C125 C126 C131 F24 -112(3) . . . . ?
C121 C126 C131 F24 -165(2) . . . . ?
C119 C126 C131 F24B -157(2) . . . . ?
C120 C126 C131 F24B -89(2) . . . . ?
C128 C126 C131 F24B 176(2) . . . . ?
C118 C126 C131 F24B 139(3) . . . . ?
C125 C126 C131 F24B 3(4) . . . . ?
C121 C126 C131 F24B -50(3) . . . . ?
C120 C126 C131 C119 67.3(16) . . . . ?
C128 C126 C131 C119 -27.1(17) . . . . ?
C118 C126 C131 C119 -65(3) . . . . ?
C125 C126 C131 C119 159(3) . . . . ?
C121 C126 C131 C119 107(2) . . . . ?
C128 C119 C131 F24A -144(4) . . . . ?
C126 C119 C131 F24A 142(3) . . . . ?
C120 C119 C131 F24A 70.3(18) . . . . ?
C118 C119 C131 F24A -171.8(16) . . . . ?
C127 C119 C131 F24A -180.0(17) . . . . ?
C128 C119 C131 F24 -32(4) . . . . ?
C126 C119 C131 F24 -107(3) . . . . ?
C120 C119 C131 F24 -178.7(19) . . . . ?
C118 C119 C131 F24 -60.8(19) . . . . ?
C127 C119 C131 F24 -69(3) . . . . ?
C128 C119 C131 F24B 109(5) . . . . ?
C126 C119 C131 F24B 34(3) . . . . ?
C120 C119 C131 F24B -37(3) . . . . ?
C118 C119 C131 F24B 81(4) . . . . ?
C127 C119 C131 F24B 72(4) . . . . ?
C128 C119 C131 C126 74(4) . . . . ?
C120 C119 C131 C126 -71.9(19) . . . . ?
C118 C119 C131 C126 46(2) . . . . ?
C127 C119 C131 C126 38(3) . . . . ?
C134 N7 C132 C5 -68.5(3) . . . . ?
C133 N7 C132 C5 163.0(3) . . . . ?
C4 C5 C132 N7 130.3(3) . . . . ?
C6 C5 C132 N7 -51.3(4) . . . . ?
C134 N7 C133 P5 104.4(2) . . . . ?
C132 N7 C133 P5 -127.0(2) . . . . ?
C142 P5 C133 N7 68.9(2) . . . . ?
C135 P5 C133 N7 179.9(2) . . . . ?
Cu3 P5 C133 N7 -59.5(2) . . . . ?
C132 N7 C134 P6 156.3(2) . . . . ?
C133 N7 C134 P6 -75.6(3) . . . . ?
C156 P6 C134 N7 150.7(2) . . . . ?
C149 P6 C134 N7 -100.0(2) . . . . ?
Cu3 P6 C134 N7 17.2(2) . . . . ?
C142 P5 C135 C136 109.6(3) . . . . ?
C133 P5 C135 C136 1.3(4) . . . . ?
Cu3 P5 C135 C136 -113.8(3) . . . . ?
C142 P5 C135 C140 -75.3(3) . . . . ?
C133 P5 C135 C140 176.3(3) . . . . ?
Cu3 P5 C135 C140 61.2(3) . . . . ?
C140 C135 C136 C137 0.9(6) . . . . ?
P5 C135 C136 C137 175.9(3) . . . . ?
C135 C136 C137 C138 -1.2(7) . . . . ?
C136 C137 C138 C139 0.9(8) . . . . ?
C137 C138 C139 C140 -0.4(8) . . . . ?
C141 O9 C140 C139 7.8(6) . . . . ?
C141 O9 C140 C135 -172.2(3) . . . . ?
C138 C139 C140 O9 -179.9(4) . . . . ?
C138 C139 C140 C135 0.1(7) . . . . ?
C136 C135 C140 O9 179.6(3) . . . . ?
P5 C135 C140 O9 4.3(4) . . . . ?
C136 C135 C140 C139 -0.4(6) . . . . ?
P5 C135 C140 C139 -175.7(3) . . . . ?
C135 P5 C142 C147 132.2(3) . . . . ?
C133 P5 C142 C147 -117.0(3) . . . . ?
Cu3 P5 C142 C147 0.2(3) . . . . ?
C135 P5 C142 C143 -48.8(3) . . . . ?
C133 P5 C142 C143 62.0(3) . . . . ?
Cu3 P5 C142 C143 179.2(2) . . . . ?
C148 O10 C143 C144 -14.9(6) . . . . ?
C148 O10 C143 C142 165.6(4) . . . . ?
C147 C142 C143 O10 -179.9(3) . . . . ?
P5 C142 C143 O10 1.0(4) . . . . ?
C147 C142 C143 C144 0.5(5) . . . . ?
P5 C142 C143 C144 -178.5(3) . . . . ?
O10 C143 C144 C145 -179.1(4) . . . . ?
C142 C143 C144 C145 0.4(6) . . . . ?
C143 C144 C145 C146 -0.8(6) . . . . ?
C144 C145 C146 C147 0.3(6) . . . . ?
C145 C146 C147 C142 0.7(5) . . . . ?
C143 C142 C147 C146 -1.1(5) . . . . ?
P5 C142 C147 C146 178.0(3) . . . . ?
C156 P6 C149 C150 115.2(3) . . . . ?
C134 P6 C149 C150 9.0(3) . . . . ?
Cu3 P6 C149 C150 -111.3(3) . . . . ?
C156 P6 C149 C154 -73.2(3) . . . . ?
C134 P6 C149 C154 -179.5(3) . . . . ?
Cu3 P6 C149 C154 60.3(3) . . . . ?
C154 C149 C150 C151 -0.8(5) . . . . ?
P6 C149 C150 C151 170.7(3) . . . . ?
C149 C150 C151 C152 0.4(6) . . . . ?
C150 C151 C152 C153 0.6(6) . . . . ?
C151 C152 C153 C154 -1.2(6) . . . . ?
C155 O11 C154 C153 5.5(6) . . . . ?
C155 O11 C154 C149 -175.1(3) . . . . ?
C152 C153 C154 O11 -179.9(4) . . . . ?
C152 C153 C154 C149 0.8(6) . . . . ?
C150 C149 C154 O11 -179.2(3) . . . . ?
P6 C149 C154 O11 8.7(4) . . . . ?
C150 C149 C154 C153 0.2(5) . . . . ?
P6 C149 C154 C153 -171.9(3) . . . . ?
C149 P6 C156 C157 -0.6(3) . . . . ?
C134 P6 C156 C157 109.7(3) . . . . ?
Cu3 P6 C156 C157 -124.3(3) . . . . ?
C149 P6 C156 C161 177.7(3) . . . . ?
C134 P6 C156 C161 -71.9(3) . . . . ?
Cu3 P6 C156 C161 54.1(3) . . . . ?
C161 C156 C157 C158 0.2(5) . . . . ?
P6 C156 C157 C158 178.5(3) . . . . ?
C156 C157 C158 C159 1.4(6) . . . . ?
C157 C158 C159 C160 -1.3(6) . . . . ?
C158 C159 C160 C161 -0.2(6) . . . . ?
C162 O12 C161 C160 -6.3(5) . . . . ?
C162 O12 C161 C156 174.4(3) . . . . ?
C159 C160 C161 O12 -177.5(3) . . . . ?
C159 C160 C161 C156 1.8(5) . . . . ?
C157 C156 C161 O12 177.6(3) . . . . ?
P6 C156 C161 O12 -0.9(4) . . . . ?
C157 C156 C161 C160 -1.8(5) . . . . ?
P6 C156 C161 C160 179.8(3) . . . . ?
C174 N8 C163 C164 -0.7(5) . . . . ?
Cu3 N8 C163 C164 176.1(3) . . . . ?
N8 C163 C164 C165 1.2(6) . . . . ?
N8 C163 C164 C175 -175.4(3) . . . . ?
C163 C164 C165 C166 -0.8(6) . . . . ?
C175 C164 C165 C166 175.8(4) . . . . ?
C164 C165 C166 C174 -0.1(6) . . . . ?
C164 C165 C166 C167 -179.8(4) . . . . ?
C174 C166 C167 C168 -2.0(7) . . . . ?
C165 C166 C167 C168 177.6(4) . . . . ?
C166 C167 C168 C169 -0.7(7) . . . . ?
C167 C168 C169 C170 -177.1(5) . . . . ?
C167 C168 C169 C173 2.8(7) . . . . ?
C173 C169 C170 C171 -1.7(6) . . . . ?
C168 C169 C170 C171 178.2(4) . . . . ?
C169 C170 C171 C172 2.2(6) . . . . ?
C169 C170 C171 C183 -178.6(4) . . . . ?
C173 N9 C172 C171 -1.6(6) . . . . ?
Cu3 N9 C172 C171 -177.0(3) . . . . ?
C170 C171 C172 N9 -0.5(6) . . . . ?
C183 C171 C172 N9 -179.8(4) . . . . ?
C172 N9 C173 C169 2.1(5) . . . . ?
Cu3 N9 C173 C169 178.3(3) . . . . ?
C172 N9 C173 C174 -176.3(3) . . . . ?
Cu3 N9 C173 C174 0.0(4) . . . . ?
C170 C169 C173 N9 -0.5(6) . . . . ?
C168 C169 C173 N9 179.5(4) . . . . ?
C170 C169 C173 C174 177.8(4) . . . . ?
C168 C169 C173 C174 -2.1(6) . . . . ?
C163 N8 C174 C166 -0.3(5) . . . . ?
Cu3 N8 C174 C166 -177.7(3) . . . . ?
C163 N8 C174 C173 177.4(3) . . . . ?
Cu3 N8 C174 C173 0.0(4) . . . . ?
C165 C166 C174 N8 0.7(6) . . . . ?
C167 C166 C174 N8 -179.6(4) . . . . ?
C165 C166 C174 C173 -177.0(4) . . . . ?
C167 C166 C174 C173 2.7(6) . . . . ?
N9 C173 C174 N8 0.0(5) . . . . ?
C169 C173 C174 N8 -178.4(3) . . . . ?
N9 C173 C174 C166 177.8(3) . . . . ?
C169 C173 C174 C166 -0.6(5) . . . . ?
C165 C164 C175 C176 145.2(4) . . . . ?
C163 C164 C175 C176 -38.3(5) . . . . ?
C165 C164 C175 C180 -37.0(6) . . . . ?
C163 C164 C175 C180 139.5(4) . . . . ?
C180 C175 C176 C177 -0.5(6) . . . . ?
C164 C175 C176 C177 177.4(3) . . . . ?
C175 C176 C177 C178 -0.2(6) . . . . ?
C175 C176 C177 C181 177.7(4) . . . . ?
C176 C177 C178 C179 0.4(6) . . . . ?
C181 C177 C178 C179 -177.5(4) . . . . ?
C177 C178 C179 C180 0.2(6) . . . . ?
C177 C178 C179 C182 -178.6(5) . . . . ?
C178 C179 C180 C175 -0.9(7) . . . . ?
C182 C179 C180 C175 177.9(5) . . . . ?
C176 C175 C180 C179 1.1(6) . . . . ?
C164 C175 C180 C179 -176.8(4) . . . . ?
C178 C177 C181 F28 -21.9(6) . . . . ?
C176 C177 C181 F28 160.1(4) . . . . ?
C178 C177 C181 F30 99.4(5) . . . . ?
C176 C177 C181 F30 -78.6(5) . . . . ?
C178 C177 C181 F29 -142.7(4) . . . . ?
C176 C177 C181 F29 39.3(6) . . . . ?
F26A F26 C182 F27 50.2(9) . . . . ?
F26A F26 C182 F25 146.3(7) . . . . ?
F26A F26 C182 C179 -99.7(8) . . . . ?
F26A F27 C182 F26 -47.9(9) . . . . ?
F26A F27 C182 F25 -142.4(8) . . . . ?
F26A F27 C182 C179 102.3(8) . . . . ?
F27 F26A C182 F26 137.9(6) . . . . ?
F26 F26A C182 F27 -137.9(6) . . . . ?
F26 F26A C182 F25 -62.1(17) . . . . ?
F27 F26A C182 F25 75.8(17) . . . . ?
F26 F26A C182 C179 110.9(6) . . . . ?
F27 F26A C182 C179 -111.2(6) . . . . ?
C178 C179 C182 F26 135.5(7) . . . . ?
C180 C179 C182 F26 -43.3(9) . . . . ?
C178 C179 C182 F27 -17.1(9) . . . . ?
C180 C179 C182 F27 164.2(7) . . . . ?
C178 C179 C182 F25 -122.3(6) . . . . ?
C180 C179 C182 F25 58.9(7) . . . . ?
C178 C179 C182 F26A 62.4(13) . . . . ?
C180 C179 C182 F26A -116.4(12) . . . . ?
C170 C171 C183 C188 140.7(4) . . . . ?
C172 C171 C183 C188 -40.1(6) . . . . ?
C170 C171 C183 C184 -38.8(6) . . . . ?
C172 C171 C183 C184 140.4(4) . . . . ?
C188 C183 C184 C185 -0.3(6) . . . . ?
C171 C183 C184 C185 179.1(4) . . . . ?
C183 C184 C185 C186 0.2(6) . . . . ?
C183 C184 C185 C190 178.4(5) . . . . ?
C184 C185 C186 C187 -0.3(7) . . . . ?
C190 C185 C186 C187 -178.5(5) . . . . ?
C185 C186 C187 C188 0.6(8) . . . . ?
C185 C186 C187 C189 179.2(6) . . . . ?
C186 C187 C188 C183 -0.8(8) . . . . ?
C189 C187 C188 C183 -179.4(6) . . . . ?
C184 C183 C188 C187 0.6(7) . . . . ?
C171 C183 C188 C187 -178.8(4) . . . . ?
C188 C187 C189 F32 175.4(7) . . . . ?
C186 C187 C189 F32 -3.3(12) . . . . ?
C188 C187 C189 F31 44.1(11) . . . . ?
C186 C187 C189 F31 -134.5(7) . . . . ?
C188 C187 C189 F33 -68.0(9) . . . . ?
C186 C187 C189 F33 113.3(6) . . . . ?
F34 F37 C190 F35 70.0(11) . . . . ?
F36 F37 C190 F35 -84.1(9) . . . . ?
F34 F37 C190 F36 154.1(6) . . . . ?
F36 F37 C190 F34 -154.1(6) . . . . ?
F34 F37 C190 C185 -100.4(8) . . . . ?
F36 F37 C190 C185 105.5(8) . . . . ?
F37 F36 C190 F35 125.0(6) . . . . ?
F37 F36 C190 F34 39.3(11) . . . . ?
F37 F36 C190 C185 -116.2(5) . . . . ?
F37 F34 C190 F35 -129.2(6) . . . . ?
F37 F34 C190 F36 -43.0(12) . . . . ?
F37 F34 C190 C185 112.2(5) . . . . ?
C184 C185 C190 F37 11.9(12) . . . . ?
C186 C185 C190 F37 -169.9(9) . . . . ?
C184 C185 C190 F35 -159.2(6) . . . . ?
C186 C185 C190 F35 19.0(9) . . . . ?
C184 C185 C190 F36 102.4(7) . . . . ?
C186 C185 C190 F36 -79.4(7) . . . . ?
C184 C185 C190 F34 -61.4(9) . . . . ?
C186 C185 C190 F34 116.8(8) . . . . ?
B1 F39 F39A F41 -30.1(10) . . . . ?
F41A F40 F40A B1 25.5(10) . . . . ?
F39 F39A F41 F41A -14.0(18) . . . . ?
B1 F39A F41 F41A -45.6(8) . . . . ?
F39 F39A F41 B1 31.5(14) . . . . ?
F39A F41 F41A B1 44.0(11) . . . . ?
B1 F41 F41A F40 22.7(7) . . . . ?
F39A F41 F41A F40 66.7(13) . . . . ?
F40A F40 F41A F41 -52.5(15) . . . . ?
B1 F40 F41A F41 -24.1(7) . . . . ?
F40A F40 F41A B1 -28.4(12) . . . . ?
F41 F41A B1 F38 67.4(10) . . . . ?
F40 F41A B1 F38 -90.3(9) . . . . ?
F41 F41A B1 F40 157.7(6) . . . . ?
F41 F41A B1 F39 -98.5(6) . . . . ?
F40 F41A B1 F39 103.7(6) . . . . ?
F40 F41A B1 F41 -157.7(6) . . . . ?
F41 F41A B1 F39A -45(2) . . . . ?
F40 F41A B1 F39A 157(2) . . . . ?
F41 F41A B1 F40A 177.0(9) . . . . ?
F40 F41A B1 F40A 19.3(9) . . . . ?
F40A F40 B1 F41A 154.4(11) . . . . ?
F40A F40 B1 F38 -76.4(10) . . . . ?
F41A F40 B1 F38 129.1(7) . . . . ?
F40A F40 B1 F39 52.4(10) . . . . ?
F41A F40 B1 F39 -102.0(6) . . . . ?
F40A F40 B1 F41 173.1(10) . . . . ?
F41A F40 B1 F41 18.6(5) . . . . ?
F40A F40 B1 F39A 102(5) . . . . ?
F41A F40 B1 F39A -52(5) . . . . ?
F41A F40 B1 F40A -154.4(11) . . . . ?
F39A F39 B1 F41A 85.6(17) . . . . ?
F39A F39 B1 F38 -82.9(17) . . . . ?
F39A F39 B1 F40 152.5(17) . . . . ?
F39A F39 B1 F41 30.4(16) . . . . ?
F39A F39 B1 F40A -171.1(18) . . . . ?
F39A F41 B1 F41A -128.0(12) . . . . ?
F41A F41 B1 F38 -136.2(6) . . . . ?
F39A F41 B1 F38 95.8(11) . . . . ?
F41A F41 B1 F40 -21.1(6) . . . . ?
F39A F41 B1 F40 -149.0(12) . . . . ?
F41A F41 B1 F39 100.9(6) . . . . ?
F39A F41 B1 F39 -27.1(11) . . . . ?
F41A F41 B1 F39A 128.0(12) . . . . ?
F41A F41 B1 F40A -8(2) . . . . ?
F39A F41 B1 F40A -135(3) . . . . ?
F39 F39A B1 F41A -108.4(13) . . . . ?
F41 F39A B1 F41A 38.9(9) . . . . ?
F39 F39A B1 F38 115.3(8) . . . . ?
F41 F39A B1 F38 -97.4(7) . . . . ?
F39 F39A B1 F40 -63(6) . . . . ?
F41 F39A B1 F40 84(5) . . . . ?
F41 F39A B1 F39 147.2(13) . . . . ?
F39 F39A B1 F41 -147.2(13) . . . . ?
F39 F39A B1 F40A 12(2) . . . . ?
F41 F39A B1 F40A 159.1(14) . . . . ?
F40 F40A B1 F41A -23.4(10) . . . . ?
F40 F40A B1 F38 112.7(8) . . . . ?
F40 F40A B1 F39 -131.1(8) . . . . ?
F40 F40A B1 F41 -17(3) . . . . ?
F40 F40A B1 F39A -140.7(16) . . . . ?
C3A O13 C2A C1A -113(3) . . . . ?
C2A O13 C3A C4A 179.9(10) . . . . ?

_refine_diff_density_max         0.651
_refine_diff_density_min         -0.447
_refine_diff_density_rms         0.057



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: diethylether, acetonitrile'
_chemical_properties_physical    Air-sensitive
_exptl_crystal_preparation       Luminescent
