# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Ag3Cu5
_database_code_depnum_ccdc_archive 'CCDC 2056675'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-01-17 deposited with the CCDC.	2021-03-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C255 H239 Ag3 Cl2 Cu5 N9 O8 P6'
_chemical_formula_weight         4455.57

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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   15.4768(19)
_cell_length_b                   15.967(2)
_cell_length_c                   54.448(6)
_cell_angle_alpha                83.158(5)
_cell_angle_beta                 89.009(4)
_cell_angle_gamma                75.683(6)
_cell_volume                     12943(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    196725
_cell_measurement_theta_min      4.616
_cell_measurement_theta_max      50.463

_exptl_crystal_description       Bloc
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_F_000             4612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.34
_exptl_absorpt_coefficient_mu    0.734
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6679
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            196725
_diffrn_reflns_av_unetI/netI     0.1303
_diffrn_reflns_av_R_equivalents  0.1709
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_theta_min         2.171
_diffrn_reflns_theta_max         25.412
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             47378
_reflns_number_gt                27912
_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.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.000 578 200 ' '
2 -0.500 0.000 0.500 1533 431 ' '
3 0.338 0.879 0.874 140 29 ' '
4 0.486 0.190 0.181 7 1 ' '
5 0.664 0.121 0.126 138 28 ' '
6 0.520 0.802 0.816 5 1 ' '
_platon_squeeze_details          
;
The unit cell contains solvents which have been treated as 
a diffuse contribution to the overall scattering without specific atom 
positions by SQUEEZE/PLATON. 
;
_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1373P)²+30.3828P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         47378
_refine_ls_number_parameters     3025
_refine_ls_number_restraints     1126
_refine_ls_R_factor_all          0.1332
_refine_ls_R_factor_gt           0.0820
_refine_ls_wR_factor_ref         0.2605
_refine_ls_wR_factor_gt          0.2388
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.013
_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
Ag1 Ag 0.54188(4) 0.43039(4) 0.75240(2) 0.04061(16) Uani 1 1 d . . . . .
Ag2 Ag 0.86637(4) 0.28521(4) 0.77351(2) 0.04441(17) Uani 1 1 d . . . . .
Ag3 Ag 0.67676(4) 0.12363(4) 0.72895(2) 0.04245(16) Uani 1 1 d . . . . .
Cu4 Cu 0.72013(5) 0.31930(6) 0.72912(2) 0.0330(2) Uani 1 1 d . . . . .
Cu3 Cu 0.80870(5) 0.17396(6) 0.74964(2) 0.0332(2) Uani 1 1 d . . . . .
Cu5 Cu 0.66982(5) 0.25081(6) 0.77314(2) 0.0328(2) Uani 1 1 d . . . . .
Cu1 Cu 0.70927(5) 0.40053(6) 0.76720(2) 0.0358(2) Uani 1 1 d . . . . .
Cu2 Cu 0.56723(5) 0.27671(6) 0.73575(2) 0.0336(2) Uani 1 1 d . . . . .
P1 P 0.41313(12) 0.44958(13) 0.72328(4) 0.0383(5) Uani 1 1 d . . . . .
P5 P 0.89760(13) 0.42242(14) 0.78278(4) 0.0440(5) Uani 1 1 d . . . . .
P4 P 0.97901(12) 0.14578(13) 0.78398(4) 0.0365(5) Uani 1 1 d . . . . .
P6 P 0.54173(12) 0.54912(12) 0.77819(4) 0.0370(4) Uani 1 1 d . . . . .
P2 P 0.52634(12) 0.10356(13) 0.72177(4) 0.0390(5) Uani 1 1 d . . . . .
P3 P 0.80889(13) 0.01598(14) 0.71760(4) 0.0422(5) Uani 1 1 d . . . . .
N1 N 0.4490(4) 0.2773(4) 0.71870(11) 0.0355(14) Uani 1 1 d . . . . .
N2 N 0.9142(3) 0.0648(4) 0.74966(11) 0.0353(14) Uani 1 1 d . . . . .
N3 N 0.7235(4) 0.5070(4) 0.78311(11) 0.0373(14) Uani 1 1 d . . . . .
C2 C 0.3643(5) 0.2019(5) 0.69702(14) 0.0400(18) Uani 1 1 d . . . . .
H2A H 0.357242 0.150493 0.691879 0.048 Uiso 1 1 calc R U . . .
C3 C 0.3013(5) 0.2797(6) 0.69050(15) 0.048(2) Uani 1 1 d . . . . .
H3A H 0.251829 0.281056 0.680847 0.058 Uiso 1 1 calc R U . . .
C4 C 0.3129(5) 0.3556(6) 0.69857(15) 0.046(2) Uani 1 1 d . . . . .
H4A H 0.271301 0.408154 0.694341 0.055 Uiso 1 1 calc R U . . .
C1 C 0.4386(4) 0.2014(5) 0.71137(13) 0.0356(17) Uani 1 1 d . . . . .
C5 C 0.3872(4) 0.3525(5) 0.71301(13) 0.0341(16) Uani 1 1 d . . . . .
C6 C 0.4059(6) 0.5254(5) 0.69445(15) 0.048(2) Uani 1 1 d . . . . .
C9 C 0.4067(9) 0.6436(7) 0.6525(2) 0.083(3) Uani 1 1 d . . . . .
H9A H 0.407754 0.683626 0.638726 0.100 Uiso 1 1 calc R U . . .
C7 C 0.3251(6) 0.5820(5) 0.68545(17) 0.058(2) Uani 1 1 d . . . . .
H7A H 0.271872 0.578941 0.693230 0.069 Uiso 1 1 calc R U . . .
C11 C 0.4828(6) 0.5254(6) 0.68251(15) 0.058(2) Uani 1 1 d . . . . .
H11A H 0.534775 0.485603 0.688541 0.070 Uiso 1 1 calc R U . . .
C13 C 0.2816(6) 0.4352(6) 0.75726(17) 0.057(2) Uani 1 1 d . . . . .
H13A H 0.300463 0.375837 0.756018 0.069 Uiso 1 1 calc R U . . .
C12 C 0.3176(5) 0.4916(6) 0.74170(16) 0.048(2) Uani 1 1 d . . . . .
C19 C 0.5314(5) 0.0393(5) 0.69625(15) 0.0416(18) Uani 1 1 d . . . . .
C20 C 0.5401(5) 0.0767(6) 0.67221(17) 0.057(2) Uani 1 1 d . . . . .
H20A H 0.537077 0.135916 0.669357 0.068 Uiso 1 1 calc R U . . .
C22 C 0.5604(7) -0.0630(7) 0.6572(2) 0.077(3) Uani 1 1 d . . . . .
H22A H 0.571550 -0.097157 0.644231 0.092 Uiso 1 1 calc R U . . .
C21 C 0.5534(5) 0.0275(6) 0.65218(17) 0.058(2) Uani 1 1 d . . . . .
H21A H 0.557544 0.053500 0.636126 0.070 Uiso 1 1 calc R U . . .
C24 C 0.5401(6) -0.0530(6) 0.70051(19) 0.063(3) Uani 1 1 d . . . . .
H24A H 0.538431 -0.080238 0.716533 0.076 Uiso 1 1 calc R U . . .
C25 C 0.4760(5) 0.0508(5) 0.74747(15) 0.0429(19) Uani 1 1 d . . . . .
C26 C 0.5237(6) 0.0222(6) 0.76966(17) 0.059(2) Uani 1 1 d . . . . .
H26A H 0.580785 0.030564 0.770795 0.071 Uiso 1 1 calc R U . . .
C32 C 0.9808(5) -0.0741(5) 0.73672(15) 0.049(2) Uani 1 1 d . . . . .
H32A H 0.977435 -0.118690 0.727505 0.059 Uiso 1 1 calc R U . . .
C31 C 0.9111(5) -0.0011(5) 0.73649(15) 0.0423(19) Uani 1 1 d . . . . .
C35 C 0.9867(4) 0.0576(5) 0.76420(14) 0.0368(17) Uani 1 1 d . . . . .
C34 C 1.0603(5) -0.0148(5) 0.76486(15) 0.0453(19) Uani 1 1 d . . . . .
H34A H 1.110184 -0.017956 0.774527 0.054 Uiso 1 1 calc R U . . .
C36 C 0.8474(5) 0.0285(6) 0.68567(15) 0.050(2) Uani 1 1 d . . . . .
C37 C 0.9323(5) 0.0344(5) 0.67912(16) 0.048(2) Uani 1 1 d . . . . .
H37A H 0.974768 0.029837 0.691416 0.057 Uiso 1 1 calc R U . . .
C38 C 0.9557(6) 0.0470(5) 0.65428(18) 0.057(2) Uani 1 1 d . . . . .
H38A H 1.013451 0.049992 0.650126 0.068 Uiso 1 1 calc R U . . .
C39 C 0.8926(6) 0.0551(6) 0.63592(17) 0.058(2) Uani 1 1 d . . . . .
H39A H 0.907421 0.063678 0.619343 0.070 Uiso 1 1 calc R U . . .
C42 C 0.7864(5) -0.0924(5) 0.72220(17) 0.050(2) Uani 1 1 d . . . . .
C43 C 0.7389(6) -0.1131(6) 0.74210(17) 0.059(2) Uani 1 1 d . . . . .
H43A H 0.718663 -0.071420 0.752813 0.071 Uiso 1 1 calc R U . . .
C44 C 0.7195(8) -0.1907(7) 0.7472(2) 0.081(3) Uani 1 1 d . . . . .
H44A H 0.686072 -0.201762 0.761024 0.097 Uiso 1 1 calc R U . . .
C48 C 1.0896(4) 0.1675(5) 0.78138(14) 0.0372(17) Uani 1 1 d . . . . .
C49 C 1.1323(5) 0.1857(6) 0.80133(16) 0.052(2) Uani 1 1 d . . . . .
H49A H 1.106981 0.182587 0.816926 0.062 Uiso 1 1 calc R U . . .
C51 C 1.2508(5) 0.2137(6) 0.7758(2) 0.069(3) Uani 1 1 d . . . . .
H51A H 1.304878 0.229225 0.774147 0.082 Uiso 1 1 calc R U . . .
C50 C 1.2131(5) 0.2087(6) 0.79824(19) 0.061(3) Uani 1 1 d . . . . .
H50A H 1.241490 0.220753 0.811824 0.073 Uiso 1 1 calc R U . . .
C54 C 0.9736(5) 0.0863(5) 0.81468(14) 0.0417(19) Uani 1 1 d . . . . .
C55 C 1.0421(6) 0.0216(6) 0.82592(16) 0.054(2) Uani 1 1 d . . . . .
H55A H 1.097540 0.009268 0.818441 0.065 Uiso 1 1 calc R U . . .
C56 C 1.0296(8) -0.0254(6) 0.84822(18) 0.074(3) Uani 1 1 d . . . . .
H56A H 1.076016 -0.069250 0.855656 0.088 Uiso 1 1 calc R U . . .
C59 C 0.8908(6) 0.1040(7) 0.82599(14) 0.059(3) Uani 1 1 d . . . . .
H59A H 0.843793 0.147151 0.818518 0.070 Uiso 1 1 calc R U . . .
C60 C 0.8056(5) 0.5121(5) 0.79037(15) 0.047(2) Uani 1 1 d . . . . .
C63 C 0.6551(6) 0.6409(6) 0.79897(18) 0.061(2) Uani 1 1 d . . . . .
H63A H 0.603837 0.683824 0.801385 0.074 Uiso 1 1 calc R U . . .
C62 C 0.7370(6) 0.6478(6) 0.80629(19) 0.066(3) Uani 1 1 d . . . . .
H62A H 0.741773 0.695270 0.814093 0.079 Uiso 1 1 calc R U . . .
C64 C 0.6504(5) 0.5672(5) 0.78770(14) 0.0438(19) Uani 1 1 d . . . . .
C61 C 0.8137(6) 0.5831(6) 0.80200(17) 0.059(2) Uani 1 1 d . . . . .
H61A H 0.869552 0.587580 0.806880 0.071 Uiso 1 1 calc R U . . .
C65 C 0.9594(5) 0.4690(6) 0.75807(16) 0.050(2) Uani 1 1 d . . . . .
C66 C 1.0236(6) 0.4123(6) 0.74649(16) 0.057(2) Uani 1 1 d . . . . .
H66A H 1.033546 0.352785 0.751314 0.068 Uiso 1 1 calc R U . . .
C71 C 0.9692(5) 0.3999(5) 0.81074(15) 0.0451(19) Uani 1 1 d . . . . .
C77 C 0.4880(6) 0.6503(5) 0.75890(16) 0.048(2) Uani 1 1 d . . . . .
C78 C 0.4980(5) 0.6523(5) 0.73379(17) 0.051(2) Uani 1 1 d . . . . .
H78A H 0.534858 0.604384 0.727556 0.061 Uiso 1 1 calc R U . . .
C79 C 0.4555(7) 0.7226(7) 0.7174(2) 0.073(3) Uani 1 1 d . . . . .
H79A H 0.466349 0.722334 0.700518 0.088 Uiso 1 1 calc R U . . .
C83 C 0.4861(6) 0.5454(6) 0.80824(15) 0.049(2) Uani 1 1 d . . . . .
C84 C 0.5341(7) 0.4983(6) 0.82837(17) 0.064(3) Uani 1 1 d . . . . .
H84A H 0.594198 0.472250 0.826404 0.077 Uiso 1 1 calc R U . . .
C33 C 1.0578(5) -0.0803(6) 0.75122(16) 0.054(2) Uani 1 1 d . . . . .
H33A H 1.106036 -0.128493 0.751413 0.065 Uiso 1 1 calc R U . . .
C52 C 1.2104(6) 0.1959(6) 0.7549(2) 0.067(3) Uani 1 1 d . . . . .
H52A H 1.236391 0.200212 0.739411 0.080 Uiso 1 1 calc R U . . .
C53 C 1.1283(5) 0.1711(6) 0.75794(17) 0.055(2) Uani 1 1 d . . . . .
H53A H 1.100486 0.157447 0.744486 0.066 Uiso 1 1 calc R U . . .
C57 C 0.9451(7) -0.0057(8) 0.85950(18) 0.076(3) Uani 1 1 d . . . . .
H57A H 0.935551 -0.036024 0.874554 0.092 Uiso 1 1 calc R U . . .
C58 C 0.8782(6) 0.0578(8) 0.84819(17) 0.078(3) Uani 1 1 d . . . . .
H58A H 0.822547 0.070472 0.855577 0.094 Uiso 1 1 calc R U . . .
C41 C 0.7833(6) 0.0388(7) 0.66701(17) 0.067(3) Uani 1 1 d . . . . .
H41A H 0.724764 0.037860 0.670941 0.081 Uiso 1 1 calc R U . . .
C40 C 0.8089(7) 0.0504(7) 0.64240(18) 0.075(3) Uani 1 1 d . . . . .
H40A H 0.766899 0.055172 0.629971 0.090 Uiso 1 1 calc R U . . .
C45 C 0.7495(8) -0.2528(7) 0.7319(2) 0.086(4) Uani 1 1 d . . . . .
H45A H 0.735351 -0.306354 0.735202 0.103 Uiso 1 1 calc R U . . .
C47 C 0.8192(6) -0.1582(6) 0.7064(2) 0.068(3) Uani 1 1 d . . . . .
H47A H 0.852980 -0.146611 0.692675 0.082 Uiso 1 1 calc R U . . .
C46 C 0.8013(7) -0.2375(7) 0.7113(3) 0.084(3) Uani 1 1 d . . . . .
H46A H 0.823029 -0.280896 0.701182 0.100 Uiso 1 1 calc R U . . .
C23 C 0.5510(8) -0.1015(7) 0.6806(2) 0.082(3) Uani 1 1 d . . . . .
H23A H 0.551879 -0.160299 0.683246 0.098 Uiso 1 1 calc R U . . .
C29 C 0.3556(6) -0.0051(6) 0.7669(2) 0.066(3) Uani 1 1 d . . . . .
H29A H 0.298687 -0.014122 0.766043 0.079 Uiso 1 1 calc R U . . .
C27 C 0.4891(7) -0.0184(6) 0.79008(19) 0.075(3) Uani 1 1 d . . . . .
H27A H 0.522649 -0.036721 0.804606 0.090 Uiso 1 1 calc R U . . .
C28 C 0.4036(7) -0.0316(7) 0.7887(2) 0.078(3) Uani 1 1 d . . . . .
H28A H 0.379395 -0.058092 0.802344 0.093 Uiso 1 1 calc R U . . .
C30 C 0.3902(6) 0.0354(6) 0.74601(19) 0.063(3) Uani 1 1 d . . . . .
H30A H 0.348538 0.091037 0.741204 0.076 Uiso 1 1 calc R U . . .
H30B H 0.390788 0.000153 0.732646 0.076 Uiso 1 1 calc R U . . .
C15 C 0.1900(7) 0.5528(7) 0.7762(2) 0.074(3) Uani 1 1 d . . . . .
H15A H 0.146525 0.573383 0.787530 0.089 Uiso 1 1 calc R U . . .
C17 C 0.2890(6) 0.5815(6) 0.74407(18) 0.059(2) Uani 1 1 d . . . . .
H17A H 0.313133 0.620964 0.734000 0.070 Uiso 1 1 calc R U . . .
C14 C 0.2167(6) 0.4640(8) 0.77511(19) 0.073(3) Uani 1 1 d . . . . .
H14A H 0.193221 0.425027 0.785583 0.087 Uiso 1 1 calc R U . . .
C16 C 0.2245(7) 0.6114(7) 0.7615(2) 0.072(3) Uani 1 1 d . . . . .
H16A H 0.205566 0.670494 0.763073 0.087 Uiso 1 1 calc R U . . .
C10 C 0.4872(7) 0.5837(8) 0.66113(18) 0.077(3) Uani 1 1 d . . . . .
H10A H 0.540778 0.582831 0.653019 0.092 Uiso 1 1 calc R U . . .
C68 C 1.0607(7) 0.5290(9) 0.7211(2) 0.082(4) Uani 1 1 d . . . . .
H68A H 1.094361 0.549214 0.708502 0.098 Uiso 1 1 calc R U . . .
C67 C 1.0743(6) 0.4424(7) 0.72752(18) 0.065(3) Uani 1 1 d . . . . .
H67A H 1.116736 0.403412 0.719456 0.078 Uiso 1 1 calc R U . . .
C70 C 0.9484(6) 0.5584(7) 0.7517(2) 0.080(3) Uani 1 1 d . . . . .
H70A H 0.907829 0.598032 0.760046 0.097 Uiso 1 1 calc R U . . .
C69 C 0.9988(7) 0.5877(8) 0.7326(2) 0.092(4) Uani 1 1 d . . . . .
H69A H 0.990290 0.647080 0.727779 0.110 Uiso 1 1 calc R U . . .
C72 C 0.9608(6) 0.3344(6) 0.82840(16) 0.055(2) Uani 1 1 d . . . . .
H72A H 0.919693 0.302387 0.825950 0.066 Uiso 1 1 calc R U . . .
C76 C 1.0301(5) 0.4505(7) 0.81442(18) 0.067(3) Uani 1 1 d . . . . .
H76A H 1.035191 0.497133 0.802980 0.081 Uiso 1 1 calc R U . . .
C73 C 1.0121(7) 0.3142(7) 0.84998(18) 0.073(3) Uani 1 1 d . . . . .
H73A H 1.005804 0.269036 0.861787 0.088 Uiso 1 1 calc R U . . .
C74 C 1.0727(7) 0.3623(8) 0.8536(2) 0.085(3) Uani 1 1 d . . . . .
H74A H 1.106818 0.350148 0.868030 0.102 Uiso 1 1 calc R U . . .
C75 C 1.0828(7) 0.4270(9) 0.8362(2) 0.085(3) Uani 1 1 d . . . . .
H75A H 1.125800 0.456929 0.838683 0.102 Uiso 1 1 calc R U . . .
C80 C 0.3975(10) 0.7926(7) 0.7257(3) 0.097(4) Uani 1 1 d . . . . .
H80A H 0.369988 0.840697 0.714749 0.116 Uiso 1 1 calc R U . . .
C82 C 0.4253(8) 0.7224(6) 0.7687(2) 0.083(3) Uani 1 1 d . . . . .
H82A H 0.414252 0.724911 0.785432 0.100 Uiso 1 1 calc R U . . .
C85 C 0.4976(9) 0.4877(8) 0.8513(2) 0.081(3) Uani 1 1 d . . . . .
H85A H 0.532141 0.455975 0.864669 0.097 Uiso 1 1 calc R U . . .
C88 C 0.3950(7) 0.5736(7) 0.81021(19) 0.070(3) Uani 1 1 d . . . . .
H88A H 0.359260 0.600691 0.796558 0.084 Uiso 1 1 calc R U . . .
C95 C 0.7370(5) 0.4864(5) 0.66964(14) 0.0433(18) Uani 1 1 d . . . . .
H95A H 0.751816 0.426184 0.673337 0.052 Uiso 1 1 calc R U . . .
C94 C 0.7457(5) 0.5226(5) 0.64610(15) 0.0456(19) Uani 1 1 d . . . . .
H94A H 0.766226 0.486656 0.633913 0.055 Uiso 1 1 calc R U . . .
C90 C 0.7056(5) 0.5398(5) 0.68864(13) 0.0354(16) Uani 1 1 d . . . . .
C89 C 0.6982(5) 0.4967(5) 0.71308(15) 0.0418(18) Uani 1 1 d . . . . .
C91 C 0.6854(5) 0.6274(5) 0.68228(14) 0.0410(18) Uani 1 1 d . . . . .
H91A H 0.665590 0.663182 0.694548 0.049 Uiso 1 1 calc R U . . .
C93 C 0.7243(5) 0.6125(5) 0.63993(15) 0.0447(19) Uani 1 1 d . . . . .
C92 C 0.6930(5) 0.6664(5) 0.65818(14) 0.0464(19) Uani 1 1 d . . . . .
H92A H 0.677614 0.726617 0.654455 0.056 Uiso 1 1 calc R U . . .
C100 C 0.8174(5) 0.7892(5) 0.56832(15) 0.048(2) Uani 1 1 d . . . . .
H10B H 0.817492 0.797380 0.551117 0.058 Uiso 1 1 calc R U . . .
C96 C 0.7759(6) 0.7161(6) 0.60683(15) 0.053(2) Uani 1 1 d . . . . .
C97 C 0.8183(6) 0.7636(6) 0.62031(18) 0.066(3) Uani 1 1 d . . . . .
H97A H 0.820317 0.754823 0.637511 0.080 Uiso 1 1 calc R U . . .
C101 C 0.7759(5) 0.7289(5) 0.58084(15) 0.046(2) Uani 1 1 d . . . . .
C98 C 0.8571(7) 0.8239(7) 0.60730(16) 0.069(3) Uani 1 1 d . . . . .
H98A H 0.883619 0.857384 0.616196 0.082 Uiso 1 1 calc R U . . .
C99 C 0.8588(6) 0.8374(6) 0.58200(16) 0.059(2) Uani 1 1 d . . . . .
C102 C 0.7322(5) 0.6663(5) 0.57247(14) 0.0428(18) Uani 1 1 d . . . . .
C106 C 0.7058(5) 0.6185(5) 0.59346(14) 0.0451(19) Uani 1 1 d . . . . .
C105 C 0.6596(5) 0.5557(5) 0.59151(15) 0.047(2) Uani 1 1 d . . . . .
H10C H 0.641148 0.525465 0.605452 0.057 Uiso 1 1 calc R U . . .
C104 C 0.6652(5) 0.5854(6) 0.54660(16) 0.050(2) Uani 1 1 d . . . . .
C103 C 0.7094(5) 0.6505(5) 0.54888(15) 0.0463(19) Uani 1 1 d . . . . .
H10D H 0.723733 0.683358 0.534827 0.056 Uiso 1 1 calc R U . . .
N4 N 0.7339(4) 0.6488(5) 0.61478(11) 0.0482(17) Uani 1 1 d . . . . .
C107 C 0.9073(8) 0.9038(6) 0.56879(18) 0.072(3) Uani 1 1 d . . . . .
C109 C 1.0011(8) 0.8884(9) 0.5802(2) 0.108(5) Uani 1 1 d . . . . .
H10E H 0.996272 0.891863 0.597658 0.162 Uiso 1 1 calc R U . . .
H10F H 1.035946 0.831773 0.577354 0.162 Uiso 1 1 calc R U . . .
H10G H 1.029452 0.931945 0.572653 0.162 Uiso 1 1 calc R U . . .
C110 C 0.9183(8) 0.8977(7) 0.54094(18) 0.088(4) Uani 1 1 d . . . . .
H11B H 0.860710 0.907049 0.533314 0.132 Uiso 1 1 calc R U . . .
H11C H 0.947301 0.941154 0.533700 0.132 Uiso 1 1 calc R U . . .
H11D H 0.953796 0.840982 0.538401 0.132 Uiso 1 1 calc R U . . .
C108 C 0.8488(9) 0.9965(7) 0.5713(2) 0.091(4) Uani 1 1 d . . . . .
H10H H 0.839887 1.003617 0.588501 0.136 Uiso 1 1 calc R U . . .
H10I H 0.878136 1.039096 0.563651 0.136 Uiso 1 1 calc R U . . .
H10J H 0.792072 1.004119 0.563316 0.136 Uiso 1 1 calc R U . . .
C111 C 0.6400(5) 0.5691(7) 0.52007(15) 0.060(3) Uani 1 1 d . . . . .
C112 C 0.6110(7) 0.4848(7) 0.52090(18) 0.080(3) Uani 1 1 d . . . . .
H11E H 0.559469 0.487831 0.531128 0.120 Uiso 1 1 calc R U . . .
H11F H 0.596695 0.476123 0.504461 0.120 Uiso 1 1 calc R U . . .
H11G H 0.658607 0.437152 0.527637 0.120 Uiso 1 1 calc R U . . .
C113 C 0.5590(8) 0.6446(7) 0.5106(2) 0.087(3) Uani 1 1 d . . . . .
H11H H 0.510517 0.645746 0.521880 0.130 Uiso 1 1 calc R U . . .
H11I H 0.575701 0.698946 0.509499 0.130 Uiso 1 1 calc R U . . .
H11J H 0.540825 0.635643 0.494540 0.130 Uiso 1 1 calc R U . . .
C118 C 0.6459(5) 0.3034(5) 0.63912(13) 0.0448(19) Uani 1 1 d . . . . .
H11K H 0.584591 0.310777 0.640527 0.054 Uiso 1 1 calc R U . . .
C117 C 0.7013(5) 0.2791(5) 0.66040(14) 0.0373(17) Uani 1 1 d . . . . .
C122 C 0.7929(5) 0.2660(5) 0.65709(14) 0.0385(17) Uani 1 1 d . . . . .
H12A H 0.830570 0.248066 0.670844 0.046 Uiso 1 1 calc R U . . .
C119 C 0.6832(5) 0.3162(6) 0.61626(14) 0.048(2) Uani 1 1 d . . . . .
H11L H 0.646329 0.333627 0.602333 0.058 Uiso 1 1 calc R U . . .
C120 C 0.7749(5) 0.3037(5) 0.61357(14) 0.0413(18) Uani 1 1 d . . . . .
C116 C 0.6657(5) 0.2721(5) 0.68492(14) 0.0377(17) Uani 1 1 d . . . . .
C115 C 0.6418(5) 0.2702(5) 0.70628(15) 0.0443(19) Uani 1 1 d . . . . .
C121 C 0.8291(5) 0.2788(5) 0.63436(13) 0.0396(17) Uani 1 1 d . . . . .
H12B H 0.890484 0.270649 0.632875 0.047 Uiso 1 1 calc R U . . .
C133 C 0.9040(5) 0.4261(5) 0.59809(14) 0.0439(19) Uani 1 1 d . . . . .
H13B H 0.894490 0.422672 0.615052 0.053 Uiso 1 1 calc R U . . .
C132 C 0.9527(5) 0.4793(5) 0.58700(14) 0.0456(19) Uani 1 1 d . . . . .
H13C H 0.977296 0.511525 0.596804 0.055 Uiso 1 1 calc R U . . .
C127 C 0.8295(5) 0.2984(5) 0.52426(15) 0.049(2) Uani 1 1 d . . . . .
H12C H 0.806474 0.351151 0.513131 0.058 Uiso 1 1 calc R U . . .
H12D H 0.889400 0.273051 0.518905 0.058 Uiso 1 1 calc R U . . .
C130 C 0.9333(5) 0.4376(5) 0.54686(14) 0.0443(19) Uani 1 1 d . . . . .
H13D H 0.943161 0.441659 0.529912 0.053 Uiso 1 1 calc R U . . .
C126 C 0.7776(6) 0.2407(6) 0.52081(16) 0.054(2) Uani 1 1 d . . . . .
C129 C 0.8838(5) 0.3806(5) 0.55759(14) 0.046(2) Uani 1 1 d . . . . .
C131 C 0.9680(5) 0.4881(5) 0.56131(15) 0.0456(19) Uani 1 1 d . . . . .
C134 C 0.8682(5) 0.3762(5) 0.58341(14) 0.0442(19) Uani 1 1 d . . . . .
C124 C 0.7401(6) 0.2317(6) 0.56463(16) 0.054(2) Uani 1 1 d . . . . .
H12E H 0.709623 0.210496 0.577843 0.065 Uiso 1 1 calc R U . . .
C123 C 0.7924(5) 0.2880(5) 0.56790(14) 0.048(2) Uani 1 1 d . . . . .
C128 C 0.8369(5) 0.3236(5) 0.54829(14) 0.0442(19) Uani 1 1 d . . . . .
C125 C 0.7339(6) 0.2074(6) 0.54138(16) 0.056(2) Uani 1 1 d . . . . .
H12F H 0.700143 0.168062 0.539165 0.068 Uiso 1 1 calc R U . . .
N5 N 0.8130(4) 0.3198(5) 0.58974(11) 0.0481(17) Uani 1 1 d . . . . .
C135 C 0.7698(8) 0.2107(7) 0.49513(17) 0.072(3) Uani 1 1 d . U . . .
C145 C 0.4361(5) 0.2658(6) 0.81094(14) 0.048(2) Uani 1 1 d . . . . .
C144 C 0.4848(4) 0.2726(5) 0.78874(14) 0.0382(18) Uani 1 1 d . . . . .
C143 C 0.5313(5) 0.2785(5) 0.77043(15) 0.0403(18) Uani 1 1 d . . . . .
C150 C 0.3904(5) 0.3397(6) 0.82218(15) 0.051(2) Uani 1 1 d . . . . .
H15B H 0.387301 0.395306 0.814228 0.061 Uiso 1 1 calc R U . . .
C146 C 0.4348(6) 0.1830(5) 0.82312(16) 0.052(2) Uani 1 1 d . . . . .
H14B H 0.460972 0.134021 0.815469 0.063 Uiso 1 1 calc R U . . .
C152 C 0.2097(6) 0.1453(7) 0.87538(16) 0.069(3) Uani 1 1 d . . . . .
H15C H 0.221730 0.139480 0.858790 0.082 Uiso 1 1 calc R U . . .
C147 C 0.3967(7) 0.1720(7) 0.84561(17) 0.064(3) Uani 1 1 d . . . . .
H14C H 0.398410 0.116374 0.853318 0.077 Uiso 1 1 calc R U . . .
C154 C 0.1248(6) 0.1162(7) 0.91314(16) 0.063(3) Uani 1 1 d . . . . .
C153 C 0.1444(6) 0.1095(7) 0.88822(16) 0.068(3) Uani 1 1 d . . . . .
H15E H 0.112777 0.079761 0.879548 0.082 Uiso 1 1 calc R U . . .
C148 C 0.3571(8) 0.2419(10) 0.85642(16) 0.095(5) Uani 1 1 d . . . . .
C156 C 0.2372(8) 0.1964(9) 0.91411(17) 0.103(5) Uani 1 1 d . . . . .
C149 C 0.3507(6) 0.3298(7) 0.84469(16) 0.064(3) Uani 1 1 d . . . . .
H14D H 0.320698 0.377839 0.852213 0.077 Uiso 1 1 calc R U . . .
C157 C 0.2974(9) 0.2450(11) 0.92265(17) 0.132(4) Uani 1 1 d . U . . .
C151 C 0.2544(7) 0.1894(8) 0.88892(16) 0.075(3) Uani 1 1 d . . . . .
C158 C 0.3083(9) 0.2743(11) 0.94551(17) 0.133(4) Uani 1 1 d . U . . .
H15D H 0.271959 0.263960 0.958728 0.160 Uiso 1 1 calc R U . . .
C155 C 0.1724(7) 0.1584(8) 0.92598(17) 0.088(4) Uani 1 1 d . . . . .
H15H H 0.161998 0.161988 0.942739 0.106 Uiso 1 1 calc R U . . .
C162 C 0.3408(9) 0.2727(11) 0.90140(17) 0.134(4) Uani 1 1 d . U . . .
C164 C 0.0729(8) -0.0234(9) 0.9210(2) 0.107(5) Uani 1 1 d . . . . .
H16B H 0.128309 -0.053574 0.929183 0.160 Uiso 1 1 calc R U . . .
H16C H 0.026095 -0.048758 0.927715 0.160 Uiso 1 1 calc R U . . .
H16D H 0.077761 -0.028155 0.903636 0.160 Uiso 1 1 calc R U . . .
C166 C 0.0493(8) 0.0789(11) 0.95307(19) 0.138(7) Uani 1 1 d . . . . .
H16E H 0.106941 0.049399 0.960010 0.206 Uiso 1 1 calc R U . . .
H16F H 0.034794 0.138316 0.956514 0.206 Uiso 1 1 calc R U . . .
H16G H 0.005353 0.050547 0.960255 0.206 Uiso 1 1 calc R U . . .
C165 C -0.0369(6) 0.1210(7) 0.9122(2) 0.084(4) Uani 1 1 d . . . . .
H16H H -0.030683 0.116609 0.894816 0.126 Uiso 1 1 calc R U . . .
H16I H -0.082489 0.093445 0.918631 0.126 Uiso 1 1 calc R U . . .
H16J H -0.053048 0.181214 0.914891 0.126 Uiso 1 1 calc R U . . .
C163 C 0.0507(6) 0.0764(8) 0.92534(18) 0.079(4) Uani 1 1 d . . . . .
N6 N 0.3176(7) 0.2381(8) 0.88128(13) 0.115(5) Uani 1 1 d . . . . .
C89' C 0.6941(5) 0.4504(5) 0.73258(14) 0.0406(18) Uani 1 1 d . . . . .
C114 C 0.7200(7) 0.5607(10) 0.50400(19) 0.100(4) Uani 1 1 d . . . . .
H11M H 0.740384 0.613042 0.503016 0.151 Uiso 1 1 calc R U . . .
H11N H 0.766477 0.512243 0.510900 0.151 Uiso 1 1 calc R U . . .
H11O H 0.704565 0.551214 0.487724 0.151 Uiso 1 1 calc R U . . .
C142 C 1.1019(5) 0.5023(6) 0.53497(16) 0.055(2) Uani 1 1 d . . . . .
H14E H 1.082056 0.470915 0.523127 0.082 Uiso 1 1 calc R U . . .
H14F H 1.132030 0.543065 0.526569 0.082 Uiso 1 1 calc R U . . .
H14G H 1.142105 0.462168 0.546647 0.082 Uiso 1 1 calc R U . . .
C139 C 1.0210(5) 0.5517(6) 0.54870(15) 0.048(2) Uani 1 1 d . . . . .
C141 C 0.9589(6) 0.6193(6) 0.52914(17) 0.062(2) Uani 1 1 d . . . . .
H14H H 0.907845 0.651005 0.537280 0.094 Uiso 1 1 calc R U . . .
H14I H 0.991331 0.659085 0.521327 0.094 Uiso 1 1 calc R U . . .
H14J H 0.939765 0.589081 0.516872 0.094 Uiso 1 1 calc R U . . .
C140 C 1.0547(6) 0.6018(7) 0.56767(17) 0.064(3) Uani 1 1 d . . . . .
H14K H 1.004886 0.632941 0.576396 0.096 Uiso 1 1 calc R U . . .
H14L H 1.095069 0.561242 0.579226 0.096 Uiso 1 1 calc R U . . .
H14M H 1.084995 0.642138 0.559148 0.096 Uiso 1 1 calc R U . . .
C167 C 0.3778(7) 0.3611(8) 0.97370(16) 0.117(6) Uani 1 1 d D . . . .
C168 C 0.3918(11) 0.2792(7) 0.9925(2) 0.126(6) Uani 1 1 d D . . . .
H16K H 0.345257 0.250373 0.990528 0.189 Uiso 1 1 calc R U . . .
H16L H 0.448545 0.240649 0.989796 0.189 Uiso 1 1 calc R U . . .
H16M H 0.390438 0.295393 1.008960 0.189 Uiso 1 1 calc R U . . .
C169 C 0.2865(8) 0.4182(12) 0.9828(3) 0.234(15) Uani 1 1 d D . . . .
H16N H 0.241522 0.386226 0.982950 0.352 Uiso 1 1 calc R U . . .
H16O H 0.294468 0.431934 0.999162 0.352 Uiso 1 1 calc R U . . .
H16P H 0.268426 0.471141 0.971736 0.352 Uiso 1 1 calc R U . . .
C170 C 0.4448(10) 0.4156(9) 0.9739(3) 0.161(8) Uani 1 1 d D . . . .
H17B H 0.428923 0.464630 0.961430 0.241 Uiso 1 1 calc R U . . .
H17C H 0.445006 0.435734 0.989861 0.241 Uiso 1 1 calc R U . . .
H17D H 0.503112 0.380990 0.970697 0.241 Uiso 1 1 calc R U . . .
C81 C 0.3815(9) 0.7905(7) 0.7493(3) 0.109(5) Uani 1 1 d . . . . .
H81A H 0.338218 0.836683 0.754293 0.131 Uiso 1 1 calc R U . . .
C87 C 0.3579(8) 0.5598(9) 0.8340(3) 0.098(4) Uani 1 1 d . . . . .
H87A H 0.296275 0.575173 0.835740 0.118 Uiso 1 1 calc R U . . .
C86 C 0.4102(11) 0.5248(9) 0.8539(2) 0.099(4) Uani 1 1 d . . . . .
H86A H 0.385866 0.526123 0.869630 0.119 Uiso 1 1 calc R U . . .
C304 C 0.6422(5) 0.5400(6) 0.56804(17) 0.055(2) Uani 1 1 d . . . . .
H30C H 0.613245 0.496355 0.566426 0.066 Uiso 1 1 calc R U . . .
Cl3 Cl 1.2401(3) -0.1872(3) 0.81494(9) 0.1195(13) Uani 1 1 d . . . . .
N7 N 1.1130(4) 0.3217(4) 0.62796(11) 0.0386(14) Uani 1 1 d . . . . .
C178 C 0.9624(5) 0.3779(5) 0.68091(13) 0.0400(18) Uani 1 1 d . . . . .
H17E H 0.925044 0.426875 0.686486 0.048 Uiso 1 1 calc R U . . .
C174 C 1.0275(5) 0.2235(5) 0.68548(14) 0.0404(18) Uani 1 1 d . . . . .
H17F H 1.033402 0.168883 0.694396 0.049 Uiso 1 1 calc R U . . .
C177 C 1.0139(5) 0.3855(5) 0.65939(13) 0.0385(17) Uani 1 1 d . . . . .
H17G H 1.011018 0.440300 0.650953 0.046 Uiso 1 1 calc R U . . .
C171 C 0.8559(5) 0.2624(5) 0.72893(13) 0.0392(18) Uani 1 1 d . . . . .
C175 C 1.0778(5) 0.2310(5) 0.66430(14) 0.0385(17) Uani 1 1 d . . . . .
H17H H 1.117257 0.182322 0.659176 0.046 Uiso 1 1 calc R U . . .
C172 C 0.9093(4) 0.2816(5) 0.71424(13) 0.0352(17) Uani 1 1 d . . . . .
C176 C 1.0679(4) 0.3138(5) 0.65074(13) 0.0354(17) Uani 1 1 d . . . . .
C173 C 0.9692(4) 0.2945(5) 0.69365(13) 0.0369(17) Uani 1 1 d . . . . .
C186 C 1.1783(5) 0.2556(5) 0.56777(14) 0.0443(19) Uani 1 1 d . . . . .
H18A H 1.215552 0.270920 0.555366 0.053 Uiso 1 1 calc R U . . .
C179 C 1.1680(5) 0.3773(5) 0.62149(14) 0.0432(19) Uani 1 1 d . . . . .
C181 C 1.2509(6) 0.4834(6) 0.62363(16) 0.058(2) Uani 1 1 d . . . . .
H18B H 1.267311 0.524344 0.632144 0.069 Uiso 1 1 calc R U . . .
C190 C 1.1147(5) 0.2698(5) 0.60860(14) 0.0408(18) Uani 1 1 d . . . . .
C184 C 1.2037(5) 0.3636(5) 0.59774(14) 0.0410(18) Uani 1 1 d . . . . .
C185 C 1.1678(5) 0.2968(5) 0.58948(14) 0.0393(18) Uani 1 1 d . . . . .
C183 C 1.2633(5) 0.4097(6) 0.58726(15) 0.047(2) Uani 1 1 d . . . . .
H18C H 1.286525 0.400254 0.571678 0.057 Uiso 1 1 calc R U . . .
C189 C 1.0702(5) 0.2051(5) 0.60572(15) 0.0450(19) Uani 1 1 d . . . . .
H18D H 1.035287 0.186792 0.618298 0.054 Uiso 1 1 calc R U . . .
C180 C 1.1915(5) 0.4393(6) 0.63474(14) 0.047(2) Uani 1 1 d . . . . .
H18E H 1.168015 0.449985 0.650231 0.056 Uiso 1 1 calc R U . . .
C187 C 1.1338(5) 0.1926(5) 0.56480(16) 0.047(2) Uani 1 1 d . . . . .
C182 C 1.2880(5) 0.4703(6) 0.60036(15) 0.051(2) Uani 1 1 d . . . . .
C191 C 1.3542(6) 0.5220(7) 0.58966(17) 0.060(2) Uani 1 1 d . . . . .
C188 C 1.0794(5) 0.1704(5) 0.58427(16) 0.048(2) Uani 1 1 d . . . . .
H18G H 1.047873 0.129066 0.582132 0.057 Uiso 1 1 calc R U . . .
C194 C 1.3145(7) 0.6206(7) 0.59134(19) 0.079(3) Uani 1 1 d . . . . .
H19A H 1.260386 0.640348 0.581713 0.119 Uiso 1 1 calc R U . . .
H19B H 1.302059 0.629675 0.608286 0.119 Uiso 1 1 calc R U . . .
H19C H 1.356694 0.652739 0.585047 0.119 Uiso 1 1 calc R U . . .
C193 C 1.3764(7) 0.5099(8) 0.56234(18) 0.084(4) Uani 1 1 d . . . . .
H19D H 1.322608 0.528427 0.552538 0.126 Uiso 1 1 calc R U . . .
H19E H 1.417159 0.544227 0.556486 0.126 Uiso 1 1 calc R U . . .
H19F H 1.403240 0.449657 0.561017 0.126 Uiso 1 1 calc R U . . .
C192 C 1.4398(6) 0.4925(8) 0.60505(19) 0.084(4) Uani 1 1 d . . . . .
H19G H 1.481845 0.524421 0.598521 0.127 Uiso 1 1 calc R U . . .
H19H H 1.426991 0.503036 0.621881 0.127 Uiso 1 1 calc R U . . .
H19I H 1.464722 0.431409 0.604461 0.127 Uiso 1 1 calc R U . . .
C159 C 0.3738(10) 0.3189(12) 0.94826(18) 0.139(4) Uani 1 1 d . U . . .
C161 C 0.4036(9) 0.3212(11) 0.90402(19) 0.141(4) Uani 1 1 d . U . . .
H16Q H 0.436524 0.336623 0.890537 0.169 Uiso 1 1 calc R U . . .
C160 C 0.4159(9) 0.3459(12) 0.92709(19) 0.143(4) Uani 1 1 d . U . . .
H16R H 0.453952 0.382105 0.928428 0.171 Uiso 1 1 calc R U . . .
O8 O 1.3389(6) -0.2188(7) 0.8209(2) 0.143(4) Uani 1 1 d . . . . .
O7 O 1.2212(7) -0.0939(8) 0.8076(3) 0.172(5) Uani 1 1 d . . . . .
O6 O 1.1798(6) -0.2031(6) 0.8286(4) 0.242(10) Uani 1 1 d . . . . .
O5 O 1.2172(8) -0.2349(12) 0.7980(3) 0.238(9) Uani 1 1 d . . . . .
C138 C 0.8253(11) 0.2537(10) 0.4750(2) 0.131(4) Uani 1 1 d . U . . .
H13E H 0.886541 0.240316 0.480261 0.196 Uiso 1 1 calc R U . . .
H13F H 0.821412 0.231342 0.459549 0.196 Uiso 1 1 calc R U . . .
H13G H 0.801637 0.315708 0.472892 0.196 Uiso 1 1 calc R U . . .
C8 C 0.3252(8) 0.6438(6) 0.66448(19) 0.071(3) Uani 1 1 d . . . . .
H8A H 0.272738 0.683535 0.658754 0.086 Uiso 1 1 calc R U . . .
C137 C 0.6814(10) 0.2315(13) 0.4869(3) 0.153(5) Uani 1 1 d . U . . .
H13H H 0.656278 0.292857 0.486752 0.229 Uiso 1 1 calc R U . . .
H13I H 0.679197 0.215909 0.470441 0.229 Uiso 1 1 calc R U . . .
H13J H 0.647775 0.199968 0.497746 0.229 Uiso 1 1 calc R U . . .
C136 C 0.8134(12) 0.1139(9) 0.4957(3) 0.143(5) Uani 1 1 d . U . . .
H13K H 0.873982 0.102288 0.501498 0.215 Uiso 1 1 calc R U . . .
H13L H 0.781179 0.081268 0.506705 0.215 Uiso 1 1 calc R U . . .
H13M H 0.812601 0.097209 0.479400 0.215 Uiso 1 1 calc R U . . .
C195 C 1.1438(5) 0.1483(5) 0.54057(15) 0.061(2) Uani 0.539(14) 1 d D U P A 1
C196 C 1.0519(8) 0.1451(15) 0.5312(3) 0.073(5) Uani 0.539(14) 1 d D U P A 1
H19J H 1.021840 0.117811 0.544168 0.110 Uiso 0.539(14) 1 calc R U P A 1
H19K H 1.017237 0.203259 0.526226 0.110 Uiso 0.539(14) 1 calc R U P A 1
H19L H 1.059126 0.112299 0.517298 0.110 Uiso 0.539(14) 1 calc R U P A 1
C197 C 1.1995(13) 0.0536(8) 0.5477(3) 0.082(6) Uani 0.539(14) 1 d D U P A 1
H19M H 1.169353 0.024920 0.560379 0.124 Uiso 0.539(14) 1 calc R U P A 1
H19N H 1.206342 0.022698 0.533416 0.124 Uiso 0.539(14) 1 calc R U P A 1
H19O H 1.257116 0.054448 0.553722 0.124 Uiso 0.539(14) 1 calc R U P A 1
C198 C 1.1939(13) 0.1914(12) 0.5204(3) 0.080(5) Uani 0.539(14) 1 d D U P A 1
H19P H 1.251059 0.192571 0.526724 0.120 Uiso 0.539(14) 1 calc R U P A 1
H19Q H 1.202013 0.158868 0.506445 0.120 Uiso 0.539(14) 1 calc R U P A 1
H19R H 1.160124 0.249828 0.515373 0.120 Uiso 0.539(14) 1 calc R U P A 1
C95' C 1.1438(5) 0.1483(5) 0.54057(15) 0.061(2) Uani 0.461(14) 1 d D U P A 2
C96' C 1.0809(14) 0.0869(14) 0.5388(4) 0.076(6) Uani 0.461(14) 1 d D U P A 2
H96A H 1.020606 0.117603 0.541590 0.113 Uiso 0.461(14) 1 calc R U P A 2
H96B H 1.085068 0.068006 0.522621 0.113 Uiso 0.461(14) 1 calc R U P A 2
H96C H 1.098266 0.037225 0.551040 0.113 Uiso 0.461(14) 1 calc R U P A 2
C97' C 1.2405(8) 0.1005(15) 0.5361(4) 0.087(6) Uani 0.461(14) 1 d D U P A 2
H97B H 1.278603 0.139050 0.537291 0.130 Uiso 0.461(14) 1 calc R U P A 2
H97C H 1.258314 0.050822 0.548388 0.130 Uiso 0.461(14) 1 calc R U P A 2
H97D H 1.245116 0.081603 0.519970 0.130 Uiso 0.461(14) 1 calc R U P A 2
C98' C 1.1151(15) 0.2223(11) 0.5188(3) 0.077(6) Uani 0.461(14) 1 d D U P A 2
H98B H 1.054605 0.253679 0.520993 0.116 Uiso 0.461(14) 1 calc R U P A 2
H98C H 1.153458 0.261435 0.518439 0.116 Uiso 0.461(14) 1 calc R U P A 2
H98D H 1.119731 0.197535 0.503434 0.116 Uiso 0.461(14) 1 calc R U P A 2
C199 C 0.7155(5) 0.3193(5) 0.79716(15) 0.045(2) Uani 1 1 d . . . . .
C200 C 0.7098(5) 0.2981(6) 0.81871(13) 0.051(2) Uani 1 1 d D . . . .
C201 C 0.6963(9) 0.2613(14) 0.84545(17) 0.041(3) Uani 0.494(3) 1 d D U P B 1
C202 C 0.6079(8) 0.2690(11) 0.8517(2) 0.043(3) Uani 0.494(3) 1 d D U P B 1
H20C H 0.563828 0.291576 0.839679 0.052 Uiso 0.494(3) 1 calc R U P B 1
C203 C 0.5835(8) 0.2441(10) 0.8755(2) 0.046(3) Uani 0.494(3) 1 d D U P B 1
H20D H 0.523950 0.246923 0.879074 0.055 Uiso 0.494(3) 1 calc R U P B 1
C204 C 0.6482(8) 0.2149(10) 0.8939(2) 0.041(3) Uani 0.494(3) 1 d D U P B 1
C205 C 0.7364(8) 0.2115(14) 0.8882(2) 0.044(3) Uani 0.494(3) 1 d D U P B 1
H20E H 0.780032 0.192761 0.900515 0.053 Uiso 0.494(3) 1 calc R U P B 1
C206 C 0.7602(8) 0.2357(11) 0.8643(2) 0.043(3) Uani 0.494(3) 1 d D U P B 1
H20F H 0.819395 0.234891 0.860787 0.052 Uiso 0.494(3) 1 calc R U P B 1
N8 N 0.6215(8) 0.1933(8) 0.9190(2) 0.039(3) Uani 0.494(3) 1 d . . P B 1
C207 C 0.6578(7) 0.2120(7) 0.94057(13) 0.041(3) Uani 0.494(3) 1 d G U P B 1
C208 C 0.7165(8) 0.2635(7) 0.94337(15) 0.047(3) Uani 0.494(3) 1 d G U P B 1
H20G H 0.738879 0.290654 0.929499 0.056 Uiso 0.494(3) 1 calc R U P B 1
C209 C 0.7418(8) 0.2746(7) 0.96691(18) 0.050(3) Uani 0.494(3) 1 d G U P B 1
H20H H 0.781079 0.309094 0.968786 0.060 Uiso 0.494(3) 1 calc R U P B 1
C210 C 0.7084(7) 0.2341(7) 0.98764(14) 0.050(3) Uani 0.494(3) 1 d DG U P B 1
C211 C 0.6496(7) 0.1825(7) 0.98484(14) 0.048(3) Uani 0.494(3) 1 d G U P B 1
H21B H 0.627275 0.155379 0.998708 0.057 Uiso 0.494(3) 1 calc R U P B 1
C212 C 0.6244(6) 0.1714(6) 0.96130(17) 0.042(2) Uani 0.494(3) 1 d G U P B 1
C221 C 0.7124(17) 0.3442(10) 1.0160(5) 0.084(6) Uani 0.494(3) 1 d D U P B 1
H22B H 0.738060 0.374082 1.002537 0.126 Uiso 0.494(3) 1 calc R U P B 1
H22C H 0.648645 0.365113 1.015273 0.126 Uiso 0.494(3) 1 calc R U P B 1
H22D H 0.734406 0.354816 1.031398 0.126 Uiso 0.494(3) 1 calc R U P B 1
C220 C 0.8407(9) 0.2136(12) 1.0174(4) 0.066(5) Uani 0.494(3) 1 d D U P B 1
H22E H 0.859029 0.152252 1.016218 0.098 Uiso 0.494(3) 1 calc R U P B 1
H22F H 0.869255 0.244050 1.004728 0.098 Uiso 0.494(3) 1 calc R U P B 1
H22G H 0.857411 0.224910 1.033335 0.098 Uiso 0.494(3) 1 calc R U P B 1
C222 C 0.6967(12) 0.1975(13) 1.0357(3) 0.080(5) Uani 0.494(3) 1 d D U P B 1
H22H H 0.712681 0.136110 1.034444 0.121 Uiso 0.494(3) 1 calc R U P B 1
H22I H 0.718760 0.208223 1.051058 0.121 Uiso 0.494(3) 1 calc R U P B 1
H22J H 0.632999 0.218520 1.034933 0.121 Uiso 0.494(3) 1 calc R U P B 1
C219 C 0.7383(9) 0.2454(9) 1.01395(19) 0.059(3) Uani 0.494(3) 1 d D U P B 1
C213 C 0.5617(6) 0.1273(6) 0.95189(17) 0.048(3) Uani 0.494(3) 1 d G U P B 1
C214 C 0.5139(7) 0.0712(7) 0.96360(14) 0.049(3) Uani 0.494(3) 1 d G U P B 1
H21C H 0.513896 0.061070 0.980779 0.059 Uiso 0.494(3) 1 calc R U P B 1
C215 C 0.4660(6) 0.0303(6) 0.94963(19) 0.064(3) Uani 0.494(3) 1 d DG U P B 1
C216 C 0.4660(7) 0.0454(7) 0.92396(18) 0.063(3) Uani 0.494(3) 1 d G U P B 1
H21D H 0.433934 0.018032 0.914613 0.076 Uiso 0.494(3) 1 calc R U P B 1
C217 C 0.5138(7) 0.1015(7) 0.91225(14) 0.063(3) Uani 0.494(3) 1 d G U P B 1
H21E H 0.513800 0.111630 0.895074 0.075 Uiso 0.494(3) 1 calc R U P B 1
C218 C 0.5617(6) 0.1424(6) 0.92622(18) 0.048(3) Uani 0.494(3) 1 d G U P B 1
C226 C 0.4502(14) -0.1198(8) 0.9563(3) 0.093(6) Uani 0.494(3) 1 d D U P B 1
H22K H 0.417195 -0.157963 0.964662 0.139 Uiso 0.494(3) 1 calc R U P B 1
H22L H 0.444787 -0.119575 0.938705 0.139 Uiso 0.494(3) 1 calc R U P B 1
H22M H 0.511887 -0.139722 0.961128 0.139 Uiso 0.494(3) 1 calc R U P B 1
C225 C 0.4192(14) -0.0341(12) 0.9917(2) 0.088(5) Uani 0.494(3) 1 d D U P B 1
H22N H 0.383466 -0.071731 0.998927 0.132 Uiso 0.494(3) 1 calc R U P B 1
H22O H 0.480131 -0.057524 0.996968 0.132 Uiso 0.494(3) 1 calc R U P B 1
H22P H 0.397746 0.022670 0.996949 0.132 Uiso 0.494(3) 1 calc R U P B 1
C224 C 0.3124(8) 0.0057(11) 0.9562(4) 0.082(5) Uani 0.494(3) 1 d D U P B 1
H22Q H 0.280109 -0.032209 0.965096 0.123 Uiso 0.494(3) 1 calc R U P B 1
H22R H 0.290296 0.063671 0.960534 0.123 Uiso 0.494(3) 1 calc R U P B 1
H22S H 0.304549 0.005884 0.938752 0.123 Uiso 0.494(3) 1 calc R U P B 1
C223 C 0.4129(8) -0.0270(7) 0.9631(2) 0.070(3) Uani 0.494(3) 1 d D U P B 1
C229 C 0.7026(7) 0.0187(6) 0.81319(12) 0.039(3) Uani 0.494(3) 1 d DG U P B 1
C230 C 0.7407(7) -0.0702(6) 0.81784(14) 0.043(3) Uani 0.494(3) 1 d G U P B 1
H23B H 0.772983 -0.099821 0.805588 0.051 Uiso 0.494(3) 1 calc R U P B 1
C231 C 0.7307(7) -0.1148(5) 0.84082(16) 0.043(3) Uani 0.494(3) 1 d G U P B 1
H23C H 0.756223 -0.174302 0.843931 0.051 Uiso 0.494(3) 1 calc R U P B 1
C232 C 0.6825(7) -0.0706(6) 0.85913(12) 0.040(3) Uani 0.494(3) 1 d G U P B 1
C233 C 0.6443(6) 0.0183(6) 0.85448(14) 0.041(3) Uani 0.494(3) 1 d G U P B 1
H23D H 0.612042 0.047914 0.866730 0.049 Uiso 0.494(3) 1 calc R U P B 1
C234 C 0.6543(6) 0.0629(5) 0.83150(16) 0.037(3) Uani 0.494(3) 1 d G U P B 1
H23E H 0.628801 0.122396 0.828387 0.044 Uiso 0.494(3) 1 calc R U P B 1
N9 N 0.6784(8) -0.1167(8) 0.8835(2) 0.041(2) Uani 0.494(3) 1 d . U P B 1
C235 C 0.6466(7) -0.1906(6) 0.88987(16) 0.040(3) Uani 0.494(3) 1 d G U P B 1
C236 C 0.6073(8) -0.2363(7) 0.87505(12) 0.052(5) Uani 0.494(3) 1 d G . P B 1
H23F H 0.604299 -0.221437 0.857987 0.062 Uiso 0.494(3) 1 calc R U P B 1
C237 C 0.5725(8) -0.3042(6) 0.88572(17) 0.046(4) Uani 0.494(3) 1 d G . P B 1
H23G H 0.546252 -0.334840 0.875801 0.055 Uiso 0.494(3) 1 calc R U P B 1
C238 C 0.5771(8) -0.3264(6) 0.91122(17) 0.053(5) Uani 0.494(3) 1 d DG . P B 1
C239 C 0.6164(7) -0.2807(7) 0.92605(13) 0.047(4) Uani 0.494(3) 1 d G . P B 1
H23H H 0.619403 -0.295575 0.943108 0.056 Uiso 0.494(3) 1 calc R U P B 1
C240 C 0.6512(7) -0.2128(6) 0.91537(16) 0.040(3) Uani 0.494(3) 1 d G U P B 1
C51' C 0.5453(11) -0.4066(7) 0.9229(2) 0.075(8) Uani 0.494(3) 1 d D . P B 1
C52' C 0.5484(17) -0.4154(14) 0.9516(2) 0.109(10) Uani 0.494(3) 1 d D . P B 1
H52B H 0.609136 -0.426624 0.957174 0.163 Uiso 0.494(3) 1 calc R U P B 1
H52C H 0.514475 -0.362271 0.957170 0.163 Uiso 0.494(3) 1 calc R U P B 1
H52D H 0.523471 -0.462611 0.958216 0.163 Uiso 0.494(3) 1 calc R U P B 1
C53' C 0.4486(11) -0.3887(11) 0.9139(3) 0.080(7) Uani 0.494(3) 1 d D . P B 1
H53B H 0.423708 -0.436061 0.920430 0.120 Uiso 0.494(3) 1 calc R U P B 1
H53C H 0.414527 -0.335739 0.919543 0.120 Uiso 0.494(3) 1 calc R U P B 1
H53D H 0.446780 -0.382960 0.896171 0.120 Uiso 0.494(3) 1 calc R U P B 1
C54' C 0.6005(13) -0.4937(11) 0.9148(4) 0.092(9) Uani 0.494(3) 1 d D . P B 1
H54A H 0.661057 -0.504243 0.920481 0.138 Uiso 0.494(3) 1 calc R U P B 1
H54B H 0.575448 -0.540344 0.921769 0.138 Uiso 0.494(3) 1 calc R U P B 1
H54C H 0.599373 -0.490371 0.897055 0.138 Uiso 0.494(3) 1 calc R U P B 1
C241 C 0.6952(7) -0.1543(6) 0.92547(16) 0.040(2) Uani 0.494(3) 1 d G U P B 1
C242 C 0.7243(7) -0.1485(6) 0.94907(14) 0.040(3) Uani 0.494(3) 1 d G U P B 1
H24B H 0.716205 -0.188427 0.962261 0.048 Uiso 0.494(3) 1 calc R U P B 1
C243 C 0.7656(7) -0.0831(7) 0.95296(13) 0.042(3) Uani 0.494(3) 1 d DG U P B 1
C244 C 0.7778(8) -0.0235(6) 0.93325(17) 0.049(3) Uani 0.494(3) 1 d G U P B 1
H24C H 0.805424 0.020306 0.935854 0.058 Uiso 0.494(3) 1 calc R U P B 1
C245 C 0.7486(8) -0.0292(6) 0.90965(15) 0.046(3) Uani 0.494(3) 1 d G U P B 1
H24D H 0.756761 0.010668 0.896464 0.056 Uiso 0.494(3) 1 calc R U P B 1
C246 C 0.7073(7) -0.0947(7) 0.90576(12) 0.041(2) Uani 0.494(3) 1 d G U P B 1
C59' C 0.8035(8) -0.0828(8) 0.97920(18) 0.047(3) Uani 0.494(3) 1 d D U P B 1
C62' C 0.8680(13) -0.1708(9) 0.9887(4) 0.065(6) Uani 0.494(3) 1 d D U P B 1
H62B H 0.916850 -0.183357 0.977542 0.098 Uiso 0.494(3) 1 calc R U P B 1
H62C H 0.890375 -0.167468 1.004833 0.098 Uiso 0.494(3) 1 calc R U P B 1
H62D H 0.836808 -0.216061 0.989746 0.098 Uiso 0.494(3) 1 calc R U P B 1
C61' C 0.7248(8) -0.0629(9) 0.9974(3) 0.046(3) Uani 0.494(3) 1 d D U P B 1
H61B H 0.684607 -0.008305 0.991501 0.070 Uiso 0.494(3) 1 calc R U P B 1
H61C H 0.693819 -0.108332 0.998357 0.070 Uiso 0.494(3) 1 calc R U P B 1
H61D H 0.747387 -0.059738 1.013444 0.070 Uiso 0.494(3) 1 calc R U P B 1
C60' C 0.8544(10) -0.0105(9) 0.9795(3) 0.055(4) Uani 0.494(3) 1 d D U P B 1
H60A H 0.815556 0.044841 0.973590 0.082 Uiso 0.494(3) 1 calc R U P B 1
H60B H 0.873892 -0.009418 0.996029 0.082 Uiso 0.494(3) 1 calc R U P B 1
H60C H 0.905245 -0.022275 0.968901 0.082 Uiso 0.494(3) 1 calc R U P B 1
C21' C 0.6985(11) 0.2796(13) 0.84620(17) 0.038(3) Uani 0.506(3) 1 d D U P B 2
C22' C 0.6447(10) 0.2260(10) 0.8548(2) 0.042(3) Uani 0.506(3) 1 d D U P B 2
H22T H 0.605249 0.212419 0.844167 0.051 Uiso 0.506(3) 1 calc R U P B 2
C23' C 0.6499(9) 0.1924(10) 0.8795(2) 0.044(3) Uani 0.506(3) 1 d D U P B 2
H23I H 0.612626 0.157317 0.885581 0.053 Uiso 0.506(3) 1 calc R U P B 2
C24' C 0.7105(12) 0.2109(12) 0.8950(2) 0.044(3) Uani 0.506(3) 1 d D U P B 2
C25' C 0.7656(9) 0.2636(10) 0.8861(2) 0.048(3) Uani 0.506(3) 1 d D U P B 2
H25A H 0.806374 0.275752 0.896644 0.057 Uiso 0.506(3) 1 calc R U P B 2
C26' C 0.7597(9) 0.2981(10) 0.8615(2) 0.040(3) Uani 0.506(3) 1 d D U P B 2
H26B H 0.796611 0.333342 0.855258 0.049 Uiso 0.506(3) 1 calc R U P B 2
N8' N 0.7215(9) 0.1709(8) 0.9204(2) 0.044(3) Uani 0.506(3) 1 d . . P B 2
C07' C 0.7354(8) 0.2110(7) 0.94148(14) 0.050(3) Uani 0.506(3) 1 d G U P B 2
C08' C 0.7249(9) 0.2985(6) 0.94402(17) 0.058(4) Uani 0.506(3) 1 d G U P B 2
H08A H 0.706314 0.340512 0.930555 0.070 Uiso 0.506(3) 1 calc R U P B 2
C09' C 0.7422(9) 0.3233(5) 0.9667(2) 0.065(4) Uani 0.506(3) 1 d G U P B 2
H09A H 0.735133 0.381859 0.968400 0.078 Uiso 0.506(3) 1 calc R U P B 2
C10' C 0.7700(9) 0.2605(7) 0.98683(16) 0.063(3) Uani 0.506(3) 1 d DG U P B 2
C11' C 0.7805(8) 0.1730(6) 0.98428(15) 0.052(3) Uani 0.506(3) 1 d G U P B 2
H11P H 0.799092 0.130990 0.997752 0.063 Uiso 0.506(3) 1 calc R U P B 2
C12' C 0.7632(8) 0.1482(5) 0.96161(18) 0.046(3) Uani 0.506(3) 1 d G U P B 2
C19' C 0.7875(11) 0.2904(10) 1.0121(2) 0.073(4) Uani 0.506(3) 1 d D U P B 2
C71' C 0.6992(14) 0.3402(15) 1.0231(6) 0.101(8) Uani 0.506(3) 1 d D U P B 2
H71A H 0.658944 0.302873 1.025554 0.152 Uiso 0.506(3) 1 calc R U P B 2
H71B H 0.711407 0.357735 1.038672 0.152 Uiso 0.506(3) 1 calc R U P B 2
H71C H 0.672458 0.390765 1.011891 0.152 Uiso 0.506(3) 1 calc R U P B 2
C72' C 0.8284(14) 0.2131(11) 1.0320(3) 0.082(6) Uani 0.506(3) 1 d D U P B 2
H72B H 0.789048 0.174981 1.034557 0.123 Uiso 0.506(3) 1 calc R U P B 2
H72C H 0.885117 0.181618 1.026524 0.123 Uiso 0.506(3) 1 calc R U P B 2
H72D H 0.836262 0.235122 1.047264 0.123 Uiso 0.506(3) 1 calc R U P B 2
C73' C 0.8515(14) 0.3510(13) 1.0082(4) 0.102(6) Uani 0.506(3) 1 d D U P B 2
H73B H 0.906333 0.320613 1.001420 0.153 Uiso 0.506(3) 1 calc R U P B 2
H73C H 0.824510 0.401534 0.997052 0.153 Uiso 0.506(3) 1 calc R U P B 2
H73D H 0.863458 0.368504 1.023832 0.153 Uiso 0.506(3) 1 calc R U P B 2
C13' C 0.7674(6) 0.0638(5) 0.95235(16) 0.040(2) Uani 0.506(3) 1 d G U P B 2
C14' C 0.7958(7) -0.0209(6) 0.96392(12) 0.043(3) Uani 0.506(3) 1 d G U P B 2
H14N H 0.810363 -0.030843 0.980687 0.051 Uiso 0.506(3) 1 calc R U P B 2
C15' C 0.8024(7) -0.0908(5) 0.95042(17) 0.042(3) Uani 0.506(3) 1 d G U P B 2
C16' C 0.7806(7) -0.0760(5) 0.92535(16) 0.048(3) Uani 0.506(3) 1 d G U P B 2
H16S H 0.784989 -0.122739 0.916322 0.057 Uiso 0.506(3) 1 calc R U P B 2
C17' C 0.7522(6) 0.0087(6) 0.91378(12) 0.043(3) Uani 0.506(3) 1 d G U P B 2
H17I H 0.737581 0.018654 0.897012 0.052 Uiso 0.506(3) 1 calc R U P B 2
C18' C 0.7456(6) 0.0786(5) 0.92728(16) 0.041(3) Uani 0.506(3) 1 d G U P B 2
C55' C 0.8352(10) -0.1889(10) 0.9622(2) 0.063(4) Uani 0.506(3) 1 d D U P B 2
C56' C 0.7665(12) -0.2400(12) 0.9570(3) 0.077(5) Uani 0.506(3) 1 d D U P B 2
H56B H 0.710552 -0.214517 0.964209 0.115 Uiso 0.506(3) 1 calc R U P B 2
H56C H 0.758837 -0.237828 0.939475 0.115 Uiso 0.506(3) 1 calc R U P B 2
H56D H 0.787401 -0.299466 0.964137 0.115 Uiso 0.506(3) 1 calc R U P B 2
C57' C 0.9248(10) -0.2299(13) 0.9506(3) 0.077(5) Uani 0.506(3) 1 d D U P B 2
H57B H 0.967775 -0.198141 0.953835 0.116 Uiso 0.506(3) 1 calc R U P B 2
H57C H 0.945566 -0.289392 0.957759 0.116 Uiso 0.506(3) 1 calc R U P B 2
H57D H 0.917002 -0.227754 0.933097 0.116 Uiso 0.506(3) 1 calc R U P B 2
C58' C 0.8479(15) -0.1936(14) 0.9904(3) 0.072(6) Uani 0.506(3) 1 d D U P B 2
H58B H 0.792048 -0.168057 0.997690 0.108 Uiso 0.506(3) 1 calc R U P B 2
H58C H 0.868314 -0.253331 0.997361 0.108 Uiso 0.506(3) 1 calc R U P B 2
H58D H 0.891101 -0.162321 0.993769 0.108 Uiso 0.506(3) 1 calc R U P B 2
C29' C 0.7411(6) -0.0077(5) 0.80827(16) 0.041(3) Uani 0.506(3) 1 d DG U P B 2
C30' C 0.8097(6) -0.0812(6) 0.80613(15) 0.048(3) Uani 0.506(3) 1 d G U P B 2
H30D H 0.843780 -0.084995 0.791877 0.057 Uiso 0.506(3) 1 calc R U P B 2
C31' C 0.8275(6) -0.1491(5) 0.82530(19) 0.050(3) Uani 0.506(3) 1 d G U P B 2
H31A H 0.873482 -0.198272 0.823867 0.060 Uiso 0.506(3) 1 calc R U P B 2
C32' C 0.7766(7) -0.1435(6) 0.84660(16) 0.047(3) Uani 0.506(3) 1 d G U P B 2
C33' C 0.7080(7) -0.0700(7) 0.84874(15) 0.050(3) Uani 0.506(3) 1 d G U P B 2
H33B H 0.673921 -0.066186 0.862994 0.060 Uiso 0.506(3) 1 calc R U P B 2
C34' C 0.6902(6) -0.0021(5) 0.82957(19) 0.049(3) Uani 0.506(3) 1 d G U P B 2
H34B H 0.644217 0.047092 0.831004 0.059 Uiso 0.506(3) 1 calc R U P B 2
N9' N 0.7969(9) -0.2092(9) 0.8669(3) 0.060(4) Uani 0.506(3) 1 d . . P B 2
C35' C 0.7396(8) -0.2560(8) 0.8787(2) 0.070(4) Uani 0.506(3) 1 d G U P B 2
C36' C 0.6472(8) -0.2388(8) 0.8773(3) 0.077(4) Uani 0.506(3) 1 d G U P B 2
H36A H 0.615269 -0.192814 0.866404 0.092 Uiso 0.506(3) 1 calc R U P B 2
C37' C 0.6024(7) -0.2905(10) 0.8924(3) 0.081(4) Uani 0.506(3) 1 d G U P B 2
H37B H 0.540581 -0.279080 0.891480 0.097 Uiso 0.506(3) 1 calc R U P B 2
C38' C 0.6501(9) -0.3593(9) 0.9087(2) 0.095(4) Uani 0.506(3) 1 d DG U P B 2
C39' C 0.7426(9) -0.3765(7) 0.9100(2) 0.082(4) Uani 0.506(3) 1 d G U P B 2
H39B H 0.774463 -0.422495 0.920952 0.098 Uiso 0.506(3) 1 calc R U P B 2
C40' C 0.7873(7) -0.3248(8) 0.8950(2) 0.073(4) Uani 0.506(3) 1 d G U P B 2
C81' C 0.5998(12) -0.4091(12) 0.9273(3) 0.102(4) Uani 0.506(3) 1 d D U P B 2
C82' C 0.5268(16) -0.3491(15) 0.9412(5) 0.123(5) Uani 0.506(3) 1 d D U P B 2
H82C H 0.554005 -0.318394 0.951685 0.184 Uiso 0.506(3) 1 calc R U P B 2
H82D H 0.487634 -0.308133 0.929470 0.184 Uiso 0.506(3) 1 calc R U P B 2
H82E H 0.493286 -0.383521 0.951103 0.184 Uiso 0.506(3) 1 calc R U P B 2
C83' C 0.5561(19) -0.4581(17) 0.9106(4) 0.109(5) Uani 0.506(3) 1 d D U P B 2
H83A H 0.522195 -0.492060 0.920512 0.164 Uiso 0.506(3) 1 calc R U P B 2
H83B H 0.517221 -0.417013 0.898815 0.164 Uiso 0.506(3) 1 calc R U P B 2
H83C H 0.601437 -0.495842 0.902011 0.164 Uiso 0.506(3) 1 calc R U P B 2
C84' C 0.6624(14) -0.4750(14) 0.9462(4) 0.106(5) Uani 0.506(3) 1 d D U P B 2
H84B H 0.689730 -0.444276 0.956658 0.159 Uiso 0.506(3) 1 calc R U P B 2
H84C H 0.628662 -0.509106 0.956125 0.159 Uiso 0.506(3) 1 calc R U P B 2
H84D H 0.707767 -0.512653 0.937586 0.159 Uiso 0.506(3) 1 calc R U P B 2
C41' C 0.8804(5) -0.3270(7) 0.8927(2) 0.053(3) Uani 0.506(3) 1 d G U P B 2
C42' C 0.9589(7) -0.3808(6) 0.90329(18) 0.057(3) Uani 0.506(3) 1 d G U P B 2
H42A H 0.956740 -0.428437 0.914719 0.069 Uiso 0.506(3) 1 calc R U P B 2
C43' C 1.0405(5) -0.3635(6) 0.8967(2) 0.058(3) Uani 0.506(3) 1 d DG U P B 2
C44' C 1.0436(5) -0.2924(7) 0.8797(2) 0.059(3) Uani 0.506(3) 1 d G U P B 2
H44B H 1.098247 -0.280820 0.875280 0.071 Uiso 0.506(3) 1 calc R U P B 2
C45' C 0.9652(7) -0.2386(6) 0.86912(19) 0.063(3) Uani 0.506(3) 1 d G U P B 2
H45B H 0.967342 -0.190977 0.857687 0.075 Uiso 0.506(3) 1 calc R U P B 2
C46' C 0.8836(5) -0.2559(6) 0.8757(2) 0.058(3) Uani 0.506(3) 1 d G U P B 2
C50' C 1.1817(11) -0.4624(11) 0.8846(3) 0.064(4) Uani 0.506(3) 1 d D U P B 2
H50B H 1.149306 -0.497220 0.877237 0.096 Uiso 0.506(3) 1 calc R U P B 2
H50C H 1.189155 -0.415557 0.872660 0.096 Uiso 0.506(3) 1 calc R U P B 2
H50D H 1.239150 -0.497765 0.890192 0.096 Uiso 0.506(3) 1 calc R U P B 2
C47' C 1.1298(8) -0.4251(8) 0.9067(3) 0.080(4) Uani 0.506(3) 1 d D U P B 2
C49' C 1.1199(14) -0.5028(12) 0.9252(3) 0.099(6) Uani 0.506(3) 1 d D U P B 2
H49B H 1.087544 -0.481740 0.939372 0.149 Uiso 0.506(3) 1 calc R U P B 2
H49C H 1.088088 -0.537329 0.917474 0.149 Uiso 0.506(3) 1 calc R U P B 2
H49D H 1.177932 -0.537863 0.930427 0.149 Uiso 0.506(3) 1 calc R U P B 2
C48' C 1.1866(15) -0.3708(13) 0.9172(4) 0.117(7) Uani 0.506(3) 1 d D U P B 2
H48A H 1.157312 -0.345442 0.931184 0.175 Uiso 0.506(3) 1 calc R U P B 2
H48B H 1.244015 -0.407595 0.922224 0.175 Uiso 0.506(3) 1 calc R U P B 2
H48C H 1.194021 -0.325387 0.904691 0.175 Uiso 0.506(3) 1 calc R U P B 2
C228 C 0.7242(5) 0.0688(5) 0.78886(12) 0.0424(19) Uani 1 1 d D . . . .
C227 C 0.7311(5) 0.1203(5) 0.77186(15) 0.0413(18) Uani 1 1 d . . . . .
Cl1 Cl 0.21763(16) 0.0059(2) 0.69619(7) 0.0913(9) Uani 0.358(14) 1 d D U P C 1
O1 O 0.2716(13) -0.0601(12) 0.6820(4) 0.113(7) Uani 0.358(14) 1 d D U P C 1
O2 O 0.2207(17) -0.0314(15) 0.7218(2) 0.105(7) Uani 0.358(14) 1 d D U P C 1
O3 O 0.1288(9) 0.0188(16) 0.6861(5) 0.109(7) Uani 0.358(14) 1 d D U P C 1
O4 O 0.2438(15) 0.0856(10) 0.6922(5) 0.131(7) Uani 0.358(14) 1 d D U P C 1
Cl1' Cl 0.21763(16) 0.0059(2) 0.69619(7) 0.0913(9) Uani 0.642(14) 1 d D U P C 2
O1' O 0.3073(5) -0.0038(8) 0.6876(2) 0.089(4) Uani 0.642(14) 1 d D U P C 2
O2' O 0.1983(9) 0.0836(8) 0.7095(3) 0.122(5) Uani 0.642(14) 1 d D U P C 2
O3' O 0.2072(11) -0.0680(10) 0.7125(3) 0.151(6) Uani 0.642(14) 1 d D U P C 2
O4' O 0.1592(7) 0.0210(9) 0.6750(2) 0.086(4) Uani 0.642(14) 1 d D U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P6 2.490(2) . ?
Ag1 P1 2.5038(19) . ?
Ag1 C143 2.549(7) . ?
Ag1 Cu1 2.6379(10) . ?
Ag1 C89' 2.649(8) . ?
Ag1 Cu2 2.6529(11) . ?
Ag1 Cu5 3.1490(11) . ?
Ag1 Cu4 3.2182(11) . ?
Ag2 P5 2.467(2) . ?
Ag2 P4 2.476(2) . ?
Ag2 C171 2.510(7) . ?
Ag2 C199 2.615(8) . ?
Ag2 Cu3 2.6485(10) . ?
Ag2 Cu1 2.6616(11) . ?
Ag3 P3 2.447(2) . ?
Ag3 C115 2.450(8) . ?
Ag3 P2 2.4709(18) . ?
Ag3 C227 2.487(8) . ?
Ag3 Cu2 2.6702(11) . ?
Ag3 Cu3 2.6818(9) . ?
Cu4 C89' 2.063(8) . ?
Cu4 C171 2.074(7) . ?
Cu4 C115 2.094(7) . ?
Cu4 Cu3 2.5248(13) . ?
Cu4 Cu1 2.5555(12) . ?
Cu4 Cu2 2.6269(11) . ?
Cu4 Cu5 2.6979(12) . ?
Cu3 C227 1.962(7) . ?
Cu3 C171 1.976(7) . ?
Cu3 N2 2.073(6) . ?
Cu3 Cu5 2.5956(13) . ?
Cu5 C199 2.040(7) . ?
Cu5 C227 2.073(8) . ?
Cu5 C143 2.083(7) . ?
Cu5 Cu2 2.5346(11) . ?
Cu5 Cu1 2.5928(12) . ?
Cu1 C199 1.947(8) . ?
Cu1 C89' 1.952(8) . ?
Cu1 N3 2.057(6) . ?
Cu2 C115 1.958(8) . ?
Cu2 C143 1.960(8) . ?
Cu2 N1 2.063(5) . ?
P1 C12 1.806(8) . ?
P1 C5 1.843(7) . ?
P1 C6 1.852(9) . ?
P5 C65 1.830(8) . ?
P5 C60 1.833(9) . ?
P5 C71 1.845(7) . ?
P4 C48 1.828(6) . ?
P4 C54 1.833(8) . ?
P4 C35 1.852(7) . ?
P6 C77 1.835(8) . ?
P6 C83 1.837(8) . ?
P6 C64 1.867(7) . ?
P2 C25 1.811(8) . ?
P2 C19 1.813(8) . ?
P2 C1 1.836(8) . ?
P3 C36 1.832(9) . ?
P3 C42 1.835(8) . ?
P3 C31 1.847(7) . ?
N1 C5 1.344(9) . ?
N1 C1 1.366(9) . ?
N2 C31 1.354(9) . ?
N2 C35 1.357(8) . ?
N3 C64 1.333(10) . ?
N3 C60 1.362(9) . ?
C2 C3 1.389(11) . ?
C2 C1 1.399(9) . ?
C3 C4 1.389(11) . ?
C4 C5 1.391(9) . ?
C6 C11 1.345(12) . ?
C6 C7 1.406(11) . ?
C9 C8 1.409(15) . ?
C9 C10 1.418(15) . ?
C7 C8 1.417(12) . ?
C11 C10 1.414(13) . ?
C13 C12 1.375(12) . ?
C13 C14 1.417(13) . ?
C12 C17 1.414(12) . ?
C19 C20 1.391(12) . ?
C19 C24 1.438(12) . ?
C20 C21 1.402(11) . ?
C22 C23 1.372(15) . ?
C22 C21 1.415(14) . ?
C24 C23 1.387(13) . ?
C25 C26 1.395(11) . ?
C25 C30 1.414(10) . ?
C26 C27 1.387(12) . ?
C32 C31 1.378(11) . ?
C32 C33 1.417(10) . ?
C35 C34 1.405(10) . ?
C34 C33 1.361(11) . ?
C36 C37 1.379(11) . ?
C36 C41 1.399(11) . ?
C37 C38 1.398(12) . ?
C38 C39 1.382(12) . ?
C39 C40 1.354(13) . ?
C42 C43 1.353(12) . ?
C42 C47 1.428(12) . ?
C43 C44 1.341(12) . ?
C44 C45 1.360(15) . ?
C48 C49 1.377(10) . ?
C48 C53 1.401(11) . ?
C49 C50 1.390(11) . ?
C51 C50 1.348(13) . ?
C51 C52 1.399(13) . ?
C54 C55 1.377(11) . ?
C54 C59 1.391(11) . ?
C55 C56 1.386(12) . ?
C56 C57 1.415(15) . ?
C59 C58 1.376(12) . ?
C60 C61 1.395(11) . ?
C63 C62 1.369(11) . ?
C63 C64 1.408(11) . ?
C62 C61 1.405(13) . ?
C65 C66 1.369(12) . ?
C65 C70 1.397(13) . ?
C66 C67 1.398(12) . ?
C71 C72 1.363(11) . ?
C71 C76 1.417(11) . ?
C77 C78 1.371(12) . ?
C77 C82 1.458(13) . ?
C78 C79 1.381(12) . ?
C79 C80 1.368(16) . ?
C83 C84 1.369(12) . ?
C83 C88 1.376(12) . ?
C84 C85 1.370(13) . ?
C52 C53 1.423(11) . ?
C57 C58 1.354(15) . ?
C41 C40 1.395(13) . ?
C45 C46 1.402(16) . ?
C47 C46 1.359(14) . ?
C29 C28 1.375(14) . ?
C29 C30 1.407(13) . ?
C27 C28 1.394(13) . ?
C15 C16 1.361(14) . ?
C15 C14 1.384(14) . ?
C17 C16 1.403(13) . ?
C68 C67 1.349(15) . ?
C68 C69 1.367(16) . ?
C70 C69 1.391(13) . ?
C72 C73 1.389(12) . ?
C76 C75 1.410(13) . ?
C73 C74 1.381(14) . ?
C74 C75 1.352(15) . ?
C80 C81 1.301(17) . ?
C82 C81 1.463(16) . ?
C85 C86 1.348(17) . ?
C88 C87 1.422(15) . ?
C95 C94 1.360(11) . ?
C95 C90 1.422(10) . ?
C94 C93 1.392(11) . ?
C90 C91 1.358(10) . ?
C90 C89 1.440(10) . ?
C89 C89' 1.229(10) . ?
C91 C92 1.400(10) . ?
C93 C92 1.394(11) . ?
C93 N4 1.442(10) . ?
C100 C101 1.392(11) . ?
C100 C99 1.398(11) . ?
C96 C97 1.392(11) . ?
C96 C101 1.406(11) . ?
C96 N4 1.411(10) . ?
C97 C98 1.379(12) . ?
C101 C102 1.455(10) . ?
C98 C99 1.369(12) . ?
C99 C107 1.549(12) . ?
C102 C103 1.405(10) . ?
C102 C106 1.409(11) . ?
C106 C105 1.382(10) . ?
C106 N4 1.423(9) . ?
C105 C304 1.375(11) . ?
C104 C304 1.388(12) . ?
C104 C103 1.396(11) . ?
C104 C111 1.570(11) . ?
C107 C110 1.535(13) . ?
C107 C109 1.539(16) . ?
C107 C108 1.553(15) . ?
C111 C114 1.491(13) . ?
C111 C112 1.516(13) . ?
C111 C113 1.555(14) . ?
C118 C119 1.378(11) . ?
C118 C117 1.411(10) . ?
C117 C122 1.391(10) . ?
C117 C116 1.439(10) . ?
C122 C121 1.364(10) . ?
C119 C120 1.390(10) . ?
C120 C121 1.380(10) . ?
C120 N5 1.437(10) . ?
C116 C115 1.213(10) . ?
C133 C132 1.354(11) . ?
C133 C134 1.401(10) . ?
C132 C131 1.411(11) . ?
C127 C126 1.394(11) . ?
C127 C128 1.428(10) . ?
C130 C131 1.393(10) . ?
C130 C129 1.400(11) . ?
C126 C125 1.416(12) . ?
C126 C135 1.547(11) . ?
C129 C134 1.418(11) . ?
C129 C128 1.435(11) . ?
C131 C139 1.549(11) . ?
C134 N5 1.400(10) . ?
C124 C123 1.378(11) . ?
C124 C125 1.379(11) . ?
C123 C128 1.400(11) . ?
C123 N5 1.417(9) . ?
C135 C137 1.395(16) . ?
C135 C136 1.522(17) . ?
C135 C138 1.579(16) . ?
C145 C146 1.411(11) . ?
C145 C150 1.419(12) . ?
C145 C144 1.421(11) . ?
C144 C143 1.228(10) . ?
C150 C149 1.371(11) . ?
C146 C147 1.361(12) . ?
C152 C151 1.378(11) . ?
C152 C153 1.415(11) . ?
C147 C148 1.333(16) . ?
C154 C155 1.365(12) . ?
C154 C153 1.396(13) . ?
C154 C163 1.548(11) . ?
C148 C149 1.452(16) . ?
C148 N6 1.476(12) . ?
C156 C151 1.405(13) . ?
C156 C155 1.405(11) . ?
C156 C157 1.465(12) . ?
C157 C158 1.408(14) . ?
C157 C162 1.408(12) . ?
C151 N6 1.422(10) . ?
C158 C159 1.395(12) . ?
C162 N6 1.374(12) . ?
C162 C161 1.404(12) . ?
C164 C163 1.589(17) . ?
C166 C163 1.515(14) . ?
C165 C163 1.513(13) . ?
C142 C139 1.539(12) . ?
C139 C140 1.549(11) . ?
C139 C141 1.572(12) . ?
C167 C170 1.511(9) . ?
C167 C168 1.534(8) . ?
C167 C169 1.587(9) . ?
C167 C159 1.620(15) . ?
C87 C86 1.345(17) . ?
Cl3 O6 1.239(11) . ?
Cl3 O5 1.366(10) . ?
Cl3 O7 1.454(12) . ?
Cl3 O8 1.515(9) . ?
N7 C179 1.387(9) . ?
N7 C190 1.412(9) . ?
N7 C176 1.420(9) . ?
C178 C173 1.407(10) . ?
C178 C177 1.416(10) . ?
C174 C173 1.378(10) . ?
C174 C175 1.390(10) . ?
C177 C176 1.368(10) . ?
C171 C172 1.207(10) . ?
C175 C176 1.410(10) . ?
C172 C173 1.471(10) . ?
C186 C187 1.378(11) . ?
C186 C185 1.409(10) . ?
C179 C180 1.411(11) . ?
C179 C184 1.417(11) . ?
C181 C180 1.382(11) . ?
C181 C182 1.399(11) . ?
C190 C189 1.399(10) . ?
C190 C185 1.409(10) . ?
C184 C183 1.392(10) . ?
C184 C185 1.436(10) . ?
C183 C182 1.395(11) . ?
C189 C188 1.342(11) . ?
C187 C188 1.410(11) . ?
C187 C95' 1.558(11) . ?
C187 C195 1.558(11) . ?
C182 C191 1.534(11) . ?
C191 C192 1.522(12) . ?
C191 C193 1.544(13) . ?
C191 C194 1.556(14) . ?
C159 C160 1.390(13) . ?
C161 C160 1.390(14) . ?
C195 C198 1.528(9) . ?
C195 C196 1.534(9) . ?
C195 C197 1.552(9) . ?
C95' C97' 1.532(9) . ?
C95' C96' 1.553(9) . ?
C95' C98' 1.558(9) . ?
C199 C200 1.190(10) . ?
C200 C21' 1.507(9) . ?
C200 C201 1.535(9) . ?
C201 C202 1.384(9) . ?
C201 C206 1.390(9) . ?
C202 C203 1.380(9) . ?
C203 C204 1.385(9) . ?
C204 C205 1.384(9) . ?
C204 N8 1.449(16) . ?
C205 C206 1.382(9) . ?
N8 C218 1.398(13) . ?
N8 C207 1.404(12) . ?
C207 C208 1.3900 . ?
C207 C212 1.3900 . ?
C208 C209 1.3900 . ?
C209 C210 1.3900 . ?
C210 C211 1.3900 . ?
C210 C219 1.557(9) . ?
C211 C212 1.3900 . ?
C212 C213 1.463(9) . ?
C221 C219 1.546(10) . ?
C220 C219 1.548(9) . ?
C222 C219 1.548(9) . ?
C213 C214 1.3900 . ?
C213 C218 1.3900 . ?
C214 C215 1.3900 . ?
C215 C216 1.3900 . ?
C215 C223 1.496(9) . ?
C216 C217 1.3900 . ?
C217 C218 1.3900 . ?
C226 C223 1.539(9) . ?
C225 C223 1.553(9) . ?
C224 C223 1.551(9) . ?
C229 C230 1.3900 . ?
C229 C234 1.3900 . ?
C229 C228 1.540(7) . ?
C230 C231 1.3900 . ?
C231 C232 1.3900 . ?
C232 C233 1.3900 . ?
C232 N9 1.446(13) . ?
C233 C234 1.3900 . ?
N9 C235 1.392(13) . ?
N9 C246 1.413(13) . ?
C235 C236 1.3900 . ?
C235 C240 1.3900 . ?
C236 C237 1.3900 . ?
C237 C238 1.3900 . ?
C238 C239 1.3900 . ?
C238 C51' 1.546(9) . ?
C239 C240 1.3900 . ?
C240 C241 1.445(9) . ?
C51' C53' 1.529(9) . ?
C51' C54' 1.550(9) . ?
C51' C52' 1.555(9) . ?
C241 C242 1.3900 . ?
C241 C246 1.3900 . ?
C242 C243 1.3900 . ?
C243 C244 1.3900 . ?
C243 C59' 1.555(9) . ?
C244 C245 1.3900 . ?
C245 C246 1.3900 . ?
C59' C62' 1.545(9) . ?
C59' C61' 1.550(9) . ?
C59' C60' 1.551(9) . ?
C21' C22' 1.374(9) . ?
C21' C26' 1.378(9) . ?
C22' C23' 1.380(9) . ?
C23' C24' 1.382(9) . ?
C24' C25' 1.383(9) . ?
C24' N8' 1.445(16) . ?
C25' C26' 1.385(9) . ?
N8' C07' 1.423(14) . ?
N8' C18' 1.433(14) . ?
C07' C08' 1.3900 . ?
C07' C12' 1.3900 . ?
C08' C09' 1.3900 . ?
C09' C10' 1.3900 . ?
C10' C11' 1.3900 . ?
C10' C19' 1.557(9) . ?
C11' C12' 1.3900 . ?
C12' C13' 1.481(11) . ?
C19' C73' 1.543(10) . ?
C19' C71' 1.552(10) . ?
C19' C72' 1.555(9) . ?
C13' C14' 1.3900 . ?
C13' C18' 1.3900 . ?
C14' C15' 1.3900 . ?
C15' C16' 1.3900 . ?
C15' C55' 1.581(16) . ?
C16' C17' 1.3900 . ?
C17' C18' 1.3900 . ?
C55' C57' 1.538(10) . ?
C55' C56' 1.539(9) . ?
C55' C58' 1.544(9) . ?
C29' C30' 1.3900 . ?
C29' C34' 1.3900 . ?
C29' C228 1.491(7) . ?
C30' C31' 1.3900 . ?
C31' C32' 1.3900 . ?
C32' C33' 1.3900 . ?
C32' N9' 1.413(14) . ?
C33' C34' 1.3900 . ?
N9' C35' 1.395(15) . ?
N9' C46' 1.424(14) . ?
C35' C36' 1.3900 . ?
C35' C40' 1.3900 . ?
C36' C37' 1.3900 . ?
C37' C38' 1.3900 . ?
C38' C39' 1.3900 . ?
C38' C81' 1.534(9) . ?
C39' C40' 1.3900 . ?
C40' C41' 1.436(12) . ?
C81' C83' 1.532(10) . ?
C81' C82' 1.541(10) . ?
C81' C84' 1.541(10) . ?
C41' C42' 1.3900 . ?
C41' C46' 1.3900 . ?
C42' C43' 1.3900 . ?
C43' C44' 1.3900 . ?
C43' C47' 1.549(9) . ?
C44' C45' 1.3900 . ?
C45' C46' 1.3900 . ?
C50' C47' 1.529(9) . ?
C47' C48' 1.537(9) . ?
C47' C49' 1.542(9) . ?
C228 C227 1.185(9) . ?
Cl1 O4 1.420(9) . ?
Cl1 O2 1.447(9) . ?
Cl1 O3 1.447(9) . ?
Cl1 O1 1.465(9) . ?
Cl1' O3' 1.429(8) . ?
Cl1' O1' 1.434(7) . ?
Cl1' O4' 1.436(7) . ?
Cl1' O2' 1.477(8) . ?

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
P6 Ag1 P1 118.04(7) . . ?
P6 Ag1 C143 123.28(18) . . ?
P1 Ag1 C143 92.93(16) . . ?
P6 Ag1 Cu1 75.88(5) . . ?
P1 Ag1 Cu1 158.25(6) . . ?
C143 Ag1 Cu1 92.19(16) . . ?
P6 Ag1 C89' 89.51(17) . . ?
P1 Ag1 C89' 116.81(16) . . ?
C143 Ag1 C89' 118.8(2) . . ?
Cu1 Ag1 C89' 43.32(16) . . ?
P6 Ag1 Cu2 163.90(6) . . ?
P1 Ag1 Cu2 76.12(5) . . ?
C143 Ag1 Cu2 44.22(18) . . ?
Cu1 Ag1 Cu2 93.13(3) . . ?
C89' Ag1 Cu2 90.37(16) . . ?
P6 Ag1 Cu5 113.29(5) . . ?
P1 Ag1 Cu5 125.36(5) . . ?
C143 Ag1 Cu5 41.22(16) . . ?
Cu1 Ag1 Cu5 52.33(3) . . ?
C89' Ag1 Cu5 80.09(17) . . ?
Cu2 Ag1 Cu5 50.93(3) . . ?
P6 Ag1 Cu4 123.06(5) . . ?
P1 Ag1 Cu4 109.52(5) . . ?
C143 Ag1 Cu4 81.35(18) . . ?
Cu1 Ag1 Cu4 50.56(3) . . ?
C89' Ag1 Cu4 39.70(17) . . ?
Cu2 Ag1 Cu4 52.08(2) . . ?
Cu5 Ag1 Cu4 50.13(2) . . ?
P5 Ag2 P4 119.78(6) . . ?
P5 Ag2 C171 118.00(18) . . ?
P4 Ag2 C171 93.50(18) . . ?
P5 Ag2 C199 91.12(17) . . ?
P4 Ag2 C199 120.80(19) . . ?
C171 Ag2 C199 116.0(2) . . ?
P5 Ag2 Cu3 160.02(6) . . ?
P4 Ag2 Cu3 76.25(5) . . ?
C171 Ag2 Cu3 44.95(16) . . ?
C199 Ag2 Cu3 89.79(16) . . ?
P5 Ag2 Cu1 76.02(5) . . ?
P4 Ag2 Cu1 160.67(5) . . ?
C171 Ag2 Cu1 87.54(17) . . ?
C199 Ag2 Cu1 43.29(18) . . ?
Cu3 Ag2 Cu1 91.18(3) . . ?
P3 Ag3 C115 119.0(2) . . ?
P3 Ag3 P2 120.03(7) . . ?
C115 Ag3 P2 93.05(16) . . ?
P3 Ag3 C227 93.95(18) . . ?
C115 Ag3 C227 112.7(2) . . ?
P2 Ag3 C227 120.04(18) . . ?
P3 Ag3 Cu2 160.63(6) . . ?
C115 Ag3 Cu2 44.7(2) . . ?
P2 Ag3 Cu2 75.84(5) . . ?
C227 Ag3 Cu2 86.05(18) . . ?
P3 Ag3 Cu3 78.00(5) . . ?
C115 Ag3 Cu3 84.74(15) . . ?
P2 Ag3 Cu3 159.72(6) . . ?
C227 Ag3 Cu3 44.43(17) . . ?
Cu2 Ag3 Cu3 88.71(3) . . ?
C89' Cu4 C171 111.8(3) . . ?
C89' Cu4 C115 121.5(3) . . ?
C171 Cu4 C115 115.5(3) . . ?
C89' Cu4 Cu3 140.8(2) . . ?
C171 Cu4 Cu3 49.7(2) . . ?
C115 Cu4 Cu3 96.7(2) . . ?
C89' Cu4 Cu1 48.6(2) . . ?
C171 Cu4 Cu1 100.8(2) . . ?
C115 Cu4 Cu1 141.3(2) . . ?
Cu3 Cu4 Cu1 96.61(4) . . ?
C89' Cu4 Cu2 106.0(2) . . ?
C171 Cu4 Cu2 140.6(2) . . ?
C115 Cu4 Cu2 47.4(2) . . ?
Cu3 Cu4 Cu2 93.13(4) . . ?
Cu1 Cu4 Cu2 95.69(4) . . ?
C89' Cu4 Cu5 103.1(2) . . ?
C171 Cu4 Cu5 102.7(2) . . ?
C115 Cu4 Cu5 98.1(2) . . ?
Cu3 Cu4 Cu5 59.49(3) . . ?
Cu1 Cu4 Cu5 59.07(3) . . ?
Cu2 Cu4 Cu5 56.83(3) . . ?
C89' Cu4 Ag1 55.1(2) . . ?
C171 Cu4 Ag1 153.5(2) . . ?
C115 Cu4 Ag1 89.7(2) . . ?
Cu3 Cu4 Ag1 123.08(4) . . ?
Cu1 Cu4 Ag1 52.87(3) . . ?
Cu2 Cu4 Ag1 52.81(3) . . ?
Cu5 Cu4 Ag1 63.61(3) . . ?
C227 Cu3 C171 161.1(3) . . ?
C227 Cu3 N2 97.3(3) . . ?
C171 Cu3 N2 101.4(3) . . ?
C227 Cu3 Cu4 109.4(2) . . ?
C171 Cu3 Cu4 53.2(2) . . ?
N2 Cu3 Cu4 150.51(17) . . ?
C227 Cu3 Cu5 51.9(2) . . ?
C171 Cu3 Cu5 109.4(2) . . ?
N2 Cu3 Cu5 145.91(17) . . ?
Cu4 Cu3 Cu5 63.57(3) . . ?
C227 Cu3 Ag2 108.2(2) . . ?
C171 Cu3 Ag2 63.8(2) . . ?
N2 Cu3 Ag2 106.24(15) . . ?
Cu4 Cu3 Ag2 77.63(3) . . ?
Cu5 Cu3 Ag2 75.83(3) . . ?
C227 Cu3 Ag3 62.5(2) . . ?
C171 Cu3 Ag3 115.39(19) . . ?
N2 Cu3 Ag3 102.26(15) . . ?
Cu4 Cu3 Ag3 80.18(3) . . ?
Cu5 Cu3 Ag3 77.74(3) . . ?
Ag2 Cu3 Ag3 151.04(4) . . ?
C199 Cu5 C227 120.1(3) . . ?
C199 Cu5 C143 114.0(3) . . ?
C227 Cu5 C143 113.2(3) . . ?
C199 Cu5 Cu2 139.8(2) . . ?
C227 Cu5 Cu2 99.2(2) . . ?
C143 Cu5 Cu2 49.1(2) . . ?
C199 Cu5 Cu1 47.9(2) . . ?
C227 Cu5 Cu1 139.3(2) . . ?
C143 Cu5 Cu1 105.6(2) . . ?
Cu2 Cu5 Cu1 97.05(4) . . ?
C199 Cu5 Cu3 105.9(2) . . ?
C227 Cu5 Cu3 48.1(2) . . ?
C143 Cu5 Cu3 139.0(2) . . ?
Cu2 Cu5 Cu3 93.65(4) . . ?
Cu1 Cu5 Cu3 93.96(4) . . ?
C199 Cu5 Cu4 101.9(2) . . ?
C227 Cu5 Cu4 100.0(2) . . ?
C143 Cu5 Cu4 104.3(2) . . ?
Cu2 Cu5 Cu4 60.17(3) . . ?
Cu1 Cu5 Cu4 57.72(3) . . ?
Cu3 Cu5 Cu4 56.94(3) . . ?
C199 Cu5 Ag1 85.8(2) . . ?
C227 Cu5 Ag1 153.4(2) . . ?
C143 Cu5 Ag1 53.8(2) . . ?
Cu2 Cu5 Ag1 54.36(3) . . ?
Cu1 Cu5 Ag1 53.64(3) . . ?
Cu3 Cu5 Ag1 123.19(4) . . ?
Cu4 Cu5 Ag1 66.27(3) . . ?
C199 Cu1 C89' 161.3(3) . . ?
C199 Cu1 N3 98.6(3) . . ?
C89' Cu1 N3 100.0(3) . . ?
C199 Cu1 Cu4 110.0(2) . . ?
C89' Cu1 Cu4 52.4(2) . . ?
N3 Cu1 Cu4 149.35(16) . . ?
C199 Cu1 Cu5 51.0(2) . . ?
C89' Cu1 Cu5 110.4(2) . . ?
N3 Cu1 Cu5 147.44(16) . . ?
Cu4 Cu1 Cu5 63.20(3) . . ?
C199 Cu1 Ag1 103.5(2) . . ?
C89' Cu1 Ag1 68.6(2) . . ?
N3 Cu1 Ag1 108.02(17) . . ?
Cu4 Cu1 Ag1 76.57(3) . . ?
Cu5 Cu1 Ag1 74.02(3) . . ?
C199 Cu1 Ag2 67.1(3) . . ?
C89' Cu1 Ag2 109.5(2) . . ?
N3 Cu1 Ag2 105.44(17) . . ?
Cu4 Cu1 Ag2 76.88(3) . . ?
Cu5 Cu1 Ag2 75.65(3) . . ?
Ag1 Cu1 Ag2 146.28(4) . . ?
C115 Cu2 C143 160.9(3) . . ?
C115 Cu2 N1 97.6(3) . . ?
C143 Cu2 N1 101.4(3) . . ?
C115 Cu2 Cu5 107.6(2) . . ?
C143 Cu2 Cu5 53.4(2) . . ?
N1 Cu2 Cu5 152.77(17) . . ?
C115 Cu2 Cu4 51.88(19) . . ?
C143 Cu2 Cu4 110.72(19) . . ?
N1 Cu2 Cu4 144.14(17) . . ?
Cu5 Cu2 Cu4 63.00(3) . . ?
C115 Cu2 Ag1 111.5(2) . . ?
C143 Cu2 Ag1 65.1(2) . . ?
N1 Cu2 Ag1 105.95(17) . . ?
Cu5 Cu2 Ag1 74.71(3) . . ?
Cu4 Cu2 Ag1 75.11(3) . . ?
C115 Cu2 Ag3 61.7(2) . . ?
C143 Cu2 Ag3 110.7(2) . . ?
N1 Cu2 Ag3 104.90(17) . . ?
Cu5 Cu2 Ag3 79.01(3) . . ?
Cu4 Cu2 Ag3 78.59(3) . . ?
Ag1 Cu2 Ag3 149.06(3) . . ?
C12 P1 C5 102.7(3) . . ?
C12 P1 C6 107.4(4) . . ?
C5 P1 C6 103.7(3) . . ?
C12 P1 Ag1 103.2(3) . . ?
C5 P1 Ag1 119.1(2) . . ?
C6 P1 Ag1 119.0(2) . . ?
C65 P5 C60 106.1(4) . . ?
C65 P5 C71 106.3(3) . . ?
C60 P5 C71 102.5(4) . . ?
C65 P5 Ag2 112.3(3) . . ?
C60 P5 Ag2 119.8(2) . . ?
C71 P5 Ag2 108.8(3) . . ?
C48 P4 C54 107.1(3) . . ?
C48 P4 C35 103.1(3) . . ?
C54 P4 C35 100.6(3) . . ?
C48 P4 Ag2 108.2(2) . . ?
C54 P4 Ag2 117.5(3) . . ?
C35 P4 Ag2 118.9(2) . . ?
C77 P6 C83 109.3(4) . . ?
C77 P6 C64 104.1(4) . . ?
C83 P6 C64 100.3(4) . . ?
C77 P6 Ag1 105.4(3) . . ?
C83 P6 Ag1 117.6(3) . . ?
C64 P6 Ag1 119.2(3) . . ?
C25 P2 C19 107.2(4) . . ?
C25 P2 C1 103.5(3) . . ?
C19 P2 C1 102.3(3) . . ?
C25 P2 Ag3 116.8(3) . . ?
C19 P2 Ag3 108.6(2) . . ?
C1 P2 Ag3 117.1(2) . . ?
C36 P3 C42 105.2(4) . . ?
C36 P3 C31 104.0(4) . . ?
C42 P3 C31 101.8(3) . . ?
C36 P3 Ag3 117.5(3) . . ?
C42 P3 Ag3 109.1(3) . . ?
C31 P3 Ag3 117.5(3) . . ?
C5 N1 C1 120.9(6) . . ?
C5 N1 Cu2 120.2(4) . . ?
C1 N1 Cu2 118.6(5) . . ?
C31 N2 C35 119.2(6) . . ?
C31 N2 Cu3 121.8(4) . . ?
C35 N2 Cu3 119.0(5) . . ?
C64 N3 C60 121.0(6) . . ?
C64 N3 Cu1 118.6(4) . . ?
C60 N3 Cu1 120.2(5) . . ?
C3 C2 C1 119.6(7) . . ?
C4 C3 C2 119.2(6) . . ?
C3 C4 C5 119.7(7) . . ?
N1 C1 C2 119.9(7) . . ?
N1 C1 P2 115.7(5) . . ?
C2 C1 P2 124.4(6) . . ?
N1 C5 C4 120.6(6) . . ?
N1 C5 P1 115.5(5) . . ?
C4 C5 P1 123.6(6) . . ?
C11 C6 C7 120.8(8) . . ?
C11 C6 P1 116.7(7) . . ?
C7 C6 P1 122.5(7) . . ?
C8 C9 C10 121.5(10) . . ?
C6 C7 C8 119.8(9) . . ?
C6 C11 C10 122.2(9) . . ?
C12 C13 C14 122.5(9) . . ?
C13 C12 C17 118.0(8) . . ?
C13 C12 P1 119.8(7) . . ?
C17 C12 P1 121.1(6) . . ?
C20 C19 C24 118.4(8) . . ?
C20 C19 P2 119.7(6) . . ?
C24 C19 P2 121.2(7) . . ?
C19 C20 C21 121.9(9) . . ?
C23 C22 C21 121.6(9) . . ?
C20 C21 C22 117.8(9) . . ?
C23 C24 C19 119.8(9) . . ?
C26 C25 C30 117.7(8) . . ?
C26 C25 P2 119.4(6) . . ?
C30 C25 P2 122.9(7) . . ?
C27 C26 C25 122.4(8) . . ?
C31 C32 C33 118.9(7) . . ?
N2 C31 C32 121.9(6) . . ?
N2 C31 P3 115.1(5) . . ?
C32 C31 P3 123.0(6) . . ?
N2 C35 C34 121.3(6) . . ?
N2 C35 P4 115.6(5) . . ?
C34 C35 P4 122.9(5) . . ?
C33 C34 C35 119.4(7) . . ?
C37 C36 C41 118.9(8) . . ?
C37 C36 P3 124.5(6) . . ?
C41 C36 P3 116.5(7) . . ?
C36 C37 C38 121.0(7) . . ?
C39 C38 C37 119.8(8) . . ?
C40 C39 C38 119.1(9) . . ?
C43 C42 C47 117.4(8) . . ?
C43 C42 P3 118.9(7) . . ?
C47 C42 P3 123.6(7) . . ?
C44 C43 C42 123.5(10) . . ?
C43 C44 C45 119.1(12) . . ?
C49 C48 C53 119.9(7) . . ?
C49 C48 P4 121.9(6) . . ?
C53 C48 P4 118.2(5) . . ?
C48 C49 C50 120.2(8) . . ?
C50 C51 C52 121.4(8) . . ?
C51 C50 C49 120.8(8) . . ?
C55 C54 C59 119.0(8) . . ?
C55 C54 P4 124.8(6) . . ?
C59 C54 P4 115.9(6) . . ?
C54 C55 C56 120.9(9) . . ?
C55 C56 C57 119.0(10) . . ?
C58 C59 C54 120.2(9) . . ?
N3 C60 C61 119.5(8) . . ?
N3 C60 P5 114.5(5) . . ?
C61 C60 P5 126.0(6) . . ?
C62 C63 C64 118.3(9) . . ?
C63 C62 C61 119.9(8) . . ?
N3 C64 C63 121.6(7) . . ?
N3 C64 P6 116.5(5) . . ?
C63 C64 P6 121.8(7) . . ?
C60 C61 C62 119.5(7) . . ?
C66 C65 C70 119.0(8) . . ?
C66 C65 P5 117.3(7) . . ?
C70 C65 P5 123.6(8) . . ?
C65 C66 C67 121.0(9) . . ?
C72 C71 C76 119.8(7) . . ?
C72 C71 P5 118.7(6) . . ?
C76 C71 P5 121.4(7) . . ?
C78 C77 C82 118.9(8) . . ?
C78 C77 P6 117.6(6) . . ?
C82 C77 P6 122.9(7) . . ?
C77 C78 C79 122.6(9) . . ?
C80 C79 C78 120.5(11) . . ?
C84 C83 C88 118.6(9) . . ?
C84 C83 P6 118.4(7) . . ?
C88 C83 P6 121.8(7) . . ?
C83 C84 C85 122.9(10) . . ?
C34 C33 C32 119.3(8) . . ?
C51 C52 C53 118.2(9) . . ?
C48 C53 C52 119.5(8) . . ?
C58 C57 C56 119.4(9) . . ?
C57 C58 C59 121.4(9) . . ?
C40 C41 C36 118.7(8) . . ?
C39 C40 C41 122.5(9) . . ?
C44 C45 C46 121.1(10) . . ?
C46 C47 C42 120.2(11) . . ?
C47 C46 C45 118.7(11) . . ?
C22 C23 C24 120.4(10) . . ?
C28 C29 C30 121.8(8) . . ?
C26 C27 C28 119.6(9) . . ?
C29 C28 C27 119.3(9) . . ?
C29 C30 C25 119.3(8) . . ?
C16 C15 C14 123.0(10) . . ?
C16 C17 C12 120.4(9) . . ?
C15 C14 C13 116.9(10) . . ?
C15 C16 C17 119.2(10) . . ?
C11 C10 C9 117.3(10) . . ?
C67 C68 C69 121.8(10) . . ?
C68 C67 C66 118.9(10) . . ?
C69 C70 C65 119.4(11) . . ?
C68 C69 C70 119.8(11) . . ?
C71 C72 C73 121.8(8) . . ?
C75 C76 C71 117.0(9) . . ?
C74 C73 C72 118.8(10) . . ?
C75 C74 C73 120.5(9) . . ?
C74 C75 C76 122.0(9) . . ?
C81 C80 C79 118.7(11) . . ?
C77 C82 C81 112.9(11) . . ?
C86 C85 C84 118.1(12) . . ?
C83 C88 C87 117.3(10) . . ?
C94 C95 C90 120.6(7) . . ?
C95 C94 C93 121.2(8) . . ?
C91 C90 C95 117.3(7) . . ?
C91 C90 C89 125.3(7) . . ?
C95 C90 C89 117.3(7) . . ?
C89' C89 C90 172.0(8) . . ?
C90 C91 C92 123.3(7) . . ?
C94 C93 C92 119.3(7) . . ?
C94 C93 N4 119.8(7) . . ?
C92 C93 N4 120.9(7) . . ?
C93 C92 C91 118.2(7) . . ?
C101 C100 C99 119.0(8) . . ?
C97 C96 C101 119.9(8) . . ?
C97 C96 N4 130.6(8) . . ?
C101 C96 N4 109.4(6) . . ?
C98 C97 C96 117.7(8) . . ?
C100 C101 C96 120.7(7) . . ?
C100 C101 C102 132.7(7) . . ?
C96 C101 C102 106.5(7) . . ?
C99 C98 C97 123.6(8) . . ?
C98 C99 C100 119.0(8) . . ?
C98 C99 C107 120.4(8) . . ?
C100 C99 C107 120.6(8) . . ?
C103 C102 C106 118.9(7) . . ?
C103 C102 C101 132.8(7) . . ?
C106 C102 C101 108.2(7) . . ?
C105 C106 C102 122.0(7) . . ?
C105 C106 N4 130.3(7) . . ?
C102 C106 N4 107.8(6) . . ?
C304 C105 C106 117.0(8) . . ?
C304 C104 C103 118.4(7) . . ?
C304 C104 C111 122.7(7) . . ?
C103 C104 C111 118.9(8) . . ?
C104 C103 C102 119.7(8) . . ?
C96 N4 C106 108.2(6) . . ?
C96 N4 C93 126.9(6) . . ?
C106 N4 C93 124.8(6) . . ?
C110 C107 C109 107.6(9) . . ?
C110 C107 C99 113.2(8) . . ?
C109 C107 C99 109.8(9) . . ?
C110 C107 C108 106.3(9) . . ?
C109 C107 C108 112.3(9) . . ?
C99 C107 C108 107.7(8) . . ?
C114 C111 C112 107.0(9) . . ?
C114 C111 C113 114.5(10) . . ?
C112 C111 C113 107.4(7) . . ?
C114 C111 C104 109.4(7) . . ?
C112 C111 C104 111.2(8) . . ?
C113 C111 C104 107.4(8) . . ?
C119 C118 C117 119.6(7) . . ?
C122 C117 C118 117.7(7) . . ?
C122 C117 C116 120.2(6) . . ?
C118 C117 C116 122.0(6) . . ?
C121 C122 C117 122.2(7) . . ?
C118 C119 C120 121.4(7) . . ?
C121 C120 C119 118.9(7) . . ?
C121 C120 N5 120.0(6) . . ?
C119 C120 N5 121.0(7) . . ?
C115 C116 C117 173.6(7) . . ?
C116 C115 Cu2 162.3(6) . . ?
C116 C115 Cu4 113.6(5) . . ?
Cu2 C115 Cu4 80.7(3) . . ?
C116 C115 Ag3 113.7(6) . . ?
Cu2 C115 Ag3 73.6(3) . . ?
Cu4 C115 Ag3 94.9(3) . . ?
C122 C121 C120 120.1(7) . . ?
C132 C133 C134 118.5(7) . . ?
C133 C132 C131 123.2(7) . . ?
C126 C127 C128 119.7(8) . . ?
C131 C130 C129 120.7(7) . . ?
C127 C126 C125 119.0(7) . . ?
C127 C126 C135 120.9(8) . . ?
C125 C126 C135 120.0(8) . . ?
C130 C129 C134 118.9(7) . . ?
C130 C129 C128 134.7(7) . . ?
C134 C129 C128 106.3(7) . . ?
C130 C131 C132 118.0(7) . . ?
C130 C131 C139 119.2(7) . . ?
C132 C131 C139 122.8(7) . . ?
N5 C134 C133 130.3(7) . . ?
N5 C134 C129 109.0(7) . . ?
C133 C134 C129 120.7(7) . . ?
C123 C124 C125 118.7(8) . . ?
C124 C123 C128 122.2(7) . . ?
C124 C123 N5 129.9(8) . . ?
C128 C123 N5 107.8(7) . . ?
C123 C128 C127 118.5(7) . . ?
C123 C128 C129 108.7(7) . . ?
C127 C128 C129 132.8(7) . . ?
C124 C125 C126 121.8(8) . . ?
C134 N5 C123 108.2(6) . . ?
C134 N5 C120 126.4(6) . . ?
C123 N5 C120 125.0(6) . . ?
C137 C135 C136 112.0(12) . . ?
C137 C135 C126 111.5(10) . . ?
C136 C135 C126 110.3(9) . . ?
C137 C135 C138 107.9(12) . . ?
C136 C135 C138 103.0(11) . . ?
C126 C135 C138 111.8(8) . . ?
C146 C145 C150 117.6(8) . . ?
C146 C145 C144 119.9(9) . . ?
C150 C145 C144 122.5(7) . . ?
C143 C144 C145 176.1(7) . . ?
C144 C143 Cu2 158.3(6) . . ?
C144 C143 Cu5 121.7(6) . . ?
Cu2 C143 Cu5 77.6(3) . . ?
C144 C143 Ag1 117.5(6) . . ?
Cu2 C143 Ag1 70.7(2) . . ?
Cu5 C143 Ag1 85.0(2) . . ?
C149 C150 C145 120.4(9) . . ?
C147 C146 C145 122.7(9) . . ?
C151 C152 C153 116.0(9) . . ?
C148 C147 C146 119.1(9) . . ?
C155 C154 C153 118.1(7) . . ?
C155 C154 C163 122.1(8) . . ?
C153 C154 C163 119.8(7) . . ?
C154 C153 C152 123.8(8) . . ?
C147 C148 C149 122.2(9) . . ?
C147 C148 N6 124.0(11) . . ?
C149 C148 N6 113.8(12) . . ?
C151 C156 C155 119.8(8) . . ?
C151 C156 C157 107.0(7) . . ?
C155 C156 C157 133.2(9) . . ?
C150 C149 C148 118.0(10) . . ?
C158 C157 C162 120.7(9) . . ?
C158 C157 C156 132.8(9) . . ?
C162 C157 C156 105.9(8) . . ?
C152 C151 C156 121.7(7) . . ?
C152 C151 N6 130.1(8) . . ?
C156 C151 N6 108.1(7) . . ?
C159 C158 C157 119.7(9) . . ?
C154 C155 C156 120.6(9) . . ?
N6 C162 C161 130.9(9) . . ?
N6 C162 C157 110.1(8) . . ?
C161 C162 C157 118.7(9) . . ?
C165 C163 C166 114.5(11) . . ?
C165 C163 C154 108.6(8) . . ?
C166 C163 C154 111.3(7) . . ?
C165 C163 C164 107.5(8) . . ?
C166 C163 C164 106.7(10) . . ?
C154 C163 C164 108.0(9) . . ?
C162 N6 C151 108.4(7) . . ?
C162 N6 C148 127.0(7) . . ?
C151 N6 C148 124.3(8) . . ?
C89 C89' Cu1 161.9(6) . . ?
C89 C89' Cu4 114.2(6) . . ?
Cu1 C89' Cu4 79.0(3) . . ?
C89 C89' Ag1 123.3(6) . . ?
Cu1 C89' Ag1 68.0(2) . . ?
Cu4 C89' Ag1 85.2(2) . . ?
C142 C139 C140 108.5(6) . . ?
C142 C139 C131 110.7(7) . . ?
C140 C139 C131 111.8(7) . . ?
C142 C139 C141 107.9(7) . . ?
C140 C139 C141 108.8(7) . . ?
C131 C139 C141 109.1(6) . . ?
C170 C167 C168 117.3(9) . . ?
C170 C167 C169 106.3(9) . . ?
C168 C167 C169 101.3(9) . . ?
C170 C167 C159 114.7(9) . . ?
C168 C167 C159 100.2(9) . . ?
C169 C167 C159 116.6(10) . . ?
C80 C81 C82 126.2(12) . . ?
C86 C87 C88 121.2(11) . . ?
C87 C86 C85 120.6(12) . . ?
C105 C304 C104 123.9(7) . . ?
O6 Cl3 O5 89.9(11) . . ?
O6 Cl3 O7 108.8(7) . . ?
O5 Cl3 O7 115.6(11) . . ?
O6 Cl3 O8 125.0(10) . . ?
O5 Cl3 O8 109.8(8) . . ?
O7 Cl3 O8 107.4(7) . . ?
C179 N7 C190 107.9(6) . . ?
C179 N7 C176 126.2(6) . . ?
C190 N7 C176 125.8(6) . . ?
C173 C178 C177 118.4(7) . . ?
C173 C174 C175 121.9(7) . . ?
C176 C177 C178 121.4(7) . . ?
C172 C171 Cu3 150.6(7) . . ?
C172 C171 Cu4 126.7(6) . . ?
Cu3 C171 Cu4 77.1(2) . . ?
C172 C171 Ag2 120.2(5) . . ?
Cu3 C171 Ag2 71.2(2) . . ?
Cu4 C171 Ag2 89.6(3) . . ?
C174 C175 C176 118.7(7) . . ?
C171 C172 C173 169.8(7) . . ?
C177 C176 C175 119.8(7) . . ?
C177 C176 N7 120.6(7) . . ?
C175 C176 N7 119.5(7) . . ?
C174 C173 C178 119.6(7) . . ?
C174 C173 C172 119.7(7) . . ?
C178 C173 C172 120.6(7) . . ?
C187 C186 C185 120.4(7) . . ?
N7 C179 C180 130.3(7) . . ?
N7 C179 C184 109.5(7) . . ?
C180 C179 C184 120.2(6) . . ?
C180 C181 C182 124.1(7) . . ?
C189 C190 C185 120.5(7) . . ?
C189 C190 N7 130.9(7) . . ?
C185 C190 N7 108.4(6) . . ?
C183 C184 C179 120.9(7) . . ?
C183 C184 C185 132.6(7) . . ?
C179 C184 C185 106.5(6) . . ?
C186 C185 C190 119.1(7) . . ?
C186 C185 C184 133.3(7) . . ?
C190 C185 C184 107.6(7) . . ?
C184 C183 C182 119.4(7) . . ?
C188 C189 C190 118.1(7) . . ?
C181 C180 C179 116.9(7) . . ?
C186 C187 C188 117.8(7) . . ?
C186 C187 C95' 120.4(7) . . ?
C188 C187 C95' 121.8(7) . . ?
C186 C187 C195 120.4(7) . . ?
C188 C187 C195 121.8(7) . . ?
C183 C182 C181 118.6(7) . . ?
C183 C182 C191 121.2(7) . . ?
C181 C182 C191 120.2(7) . . ?
C192 C191 C182 108.7(8) . . ?
C192 C191 C193 109.1(8) . . ?
C182 C191 C193 112.8(7) . . ?
C192 C191 C194 108.4(8) . . ?
C182 C191 C194 109.5(8) . . ?
C193 C191 C194 108.2(8) . . ?
C189 C188 C187 124.0(7) . . ?
C160 C159 C158 118.0(9) . . ?
C160 C159 C167 120.9(9) . . ?
C158 C159 C167 118.6(9) . . ?
C160 C161 C162 119.0(9) . . ?
C161 C160 C159 122.8(9) . . ?
C9 C8 C7 118.3(10) . . ?
C198 C195 C196 111.1(9) . . ?
C198 C195 C197 107.8(9) . . ?
C196 C195 C197 108.5(10) . . ?
C198 C195 C187 113.2(9) . . ?
C196 C195 C187 110.0(9) . . ?
C197 C195 C187 106.0(9) . . ?
C97' C95' C96' 110.3(11) . . ?
C97' C95' C187 112.2(10) . . ?
C96' C95' C187 114.1(10) . . ?
C97' C95' C98' 107.4(10) . . ?
C96' C95' C98' 105.4(10) . . ?
C187 C95' C98' 106.9(10) . . ?
C200 C199 Cu1 156.0(8) . . ?
C200 C199 Cu5 117.8(6) . . ?
Cu1 C199 Cu5 81.1(3) . . ?
C200 C199 Ag2 122.9(7) . . ?
Cu1 C199 Ag2 69.6(2) . . ?
Cu5 C199 Ag2 86.7(3) . . ?
C199 C200 C21' 174.9(12) . . ?
C199 C200 C201 172.1(10) . . ?
C202 C201 C206 118.0(8) . . ?
C202 C201 C200 114.1(10) . . ?
C206 C201 C200 127.0(10) . . ?
C203 C202 C201 121.7(9) . . ?
C202 C203 C204 119.6(10) . . ?
C205 C204 C203 119.4(10) . . ?
C205 C204 N8 121.3(10) . . ?
C203 C204 N8 119.2(10) . . ?
C206 C205 C204 120.6(10) . . ?
C205 C206 C201 120.5(9) . . ?
C218 N8 C207 107.7(9) . . ?
C218 N8 C204 125.9(10) . . ?
C207 N8 C204 126.1(10) . . ?
C208 C207 C212 120.0 . . ?
C208 C207 N8 130.1(7) . . ?
C212 C207 N8 109.9(7) . . ?
C207 C208 C209 120.0 . . ?
C210 C209 C208 120.0 . . ?
C209 C210 C211 120.0 . . ?
C209 C210 C219 119.7(8) . . ?
C211 C210 C219 120.2(8) . . ?
C210 C211 C212 120.0 . . ?
C207 C212 C211 120.0 . . ?
C207 C212 C213 105.9(7) . . ?
C211 C212 C213 134.0(7) . . ?
C221 C219 C222 109.3(11) . . ?
C221 C219 C220 107.4(11) . . ?
C222 C219 C220 106.7(10) . . ?
C221 C219 C210 106.5(13) . . ?
C222 C219 C210 115.3(11) . . ?
C220 C219 C210 111.5(11) . . ?
C214 C213 C218 120.0 . . ?
C214 C213 C212 132.1(7) . . ?
C218 C213 C212 107.6(7) . . ?
C215 C214 C213 120.0 . . ?
C214 C215 C216 120.0 . . ?
C214 C215 C223 118.0(7) . . ?
C216 C215 C223 121.9(7) . . ?
C215 C216 C217 120.0 . . ?
C218 C217 C216 120.0 . . ?
C217 C218 C213 120.0 . . ?
C217 C218 N8 130.7(8) . . ?
C213 C218 N8 109.0(8) . . ?
C215 C223 C226 107.8(10) . . ?
C215 C223 C224 111.4(9) . . ?
C226 C223 C224 110.6(10) . . ?
C215 C223 C225 114.6(10) . . ?
C226 C223 C225 106.1(10) . . ?
C224 C223 C225 106.3(10) . . ?
C230 C229 C234 120.0 . . ?
C230 C229 C228 119.0(7) . . ?
C234 C229 C228 120.6(7) . . ?
C231 C230 C229 120.0 . . ?
C230 C231 C232 120.0 . . ?
C233 C232 C231 120.0 . . ?
C233 C232 N9 120.7(8) . . ?
C231 C232 N9 119.2(8) . . ?
C232 C233 C234 120.0 . . ?
C233 C234 C229 120.0 . . ?
C235 N9 C246 106.2(9) . . ?
C235 N9 C232 128.1(10) . . ?
C246 N9 C232 125.7(10) . . ?
C236 C235 C240 120.0 . . ?
C236 C235 N9 129.5(8) . . ?
C240 C235 N9 110.2(8) . . ?
C235 C236 C237 120.0 . . ?
C236 C237 C238 120.0 . . ?
C239 C238 C237 120.0 . . ?
C239 C238 C51' 119.9(8) . . ?
C237 C238 C51' 119.9(8) . . ?
C240 C239 C238 120.0 . . ?
C239 C240 C235 120.0 . . ?
C239 C240 C241 133.1(7) . . ?
C235 C240 C241 106.9(7) . . ?
C53' C51' C238 104.3(11) . . ?
C53' C51' C54' 110.2(10) . . ?
C238 C51' C54' 113.4(13) . . ?
C53' C51' C52' 109.6(11) . . ?
C238 C51' C52' 111.6(11) . . ?
C54' C51' C52' 107.6(11) . . ?
C242 C241 C246 120.0 . . ?
C242 C241 C240 133.7(6) . . ?
C246 C241 C240 106.3(6) . . ?
C241 C242 C243 120.0 . . ?
C244 C243 C242 120.0 . . ?
C244 C243 C59' 121.4(7) . . ?
C242 C243 C59' 118.5(7) . . ?
C243 C244 C245 120.0 . . ?
C244 C245 C246 120.0 . . ?
C245 C246 C241 120.0 . . ?
C245 C246 N9 129.8(7) . . ?
C241 C246 N9 110.0(7) . . ?
C62' C59' C61' 109.2(10) . . ?
C62' C59' C60' 108.0(10) . . ?
C61' C59' C60' 107.3(9) . . ?
C62' C59' C243 112.2(12) . . ?
C61' C59' C243 108.9(10) . . ?
C60' C59' C243 111.2(9) . . ?
C22' C21' C26' 121.3(8) . . ?
C22' C21' C200 119.2(10) . . ?
C26' C21' C200 117.3(9) . . ?
C21' C22' C23' 119.4(9) . . ?
C22' C23' C24' 119.9(9) . . ?
C23' C24' C25' 120.4(9) . . ?
C23' C24' N8' 120.6(11) . . ?
C25' C24' N8' 118.9(11) . . ?
C24' C25' C26' 119.7(9) . . ?
C21' C26' C25' 119.2(9) . . ?
C07' N8' C18' 107.6(9) . . ?
C07' N8' C24' 126.8(12) . . ?
C18' N8' C24' 123.4(12) . . ?
C08' C07' C12' 120.0 . . ?
C08' C07' N8' 129.8(8) . . ?
C12' C07' N8' 110.2(8) . . ?
C07' C08' C09' 120.0 . . ?
C10' C09' C08' 120.0 . . ?
C09' C10' C11' 120.0 . . ?
C09' C10' C19' 118.8(9) . . ?
C11' C10' C19' 121.2(9) . . ?
C12' C11' C10' 120.0 . . ?
C11' C12' C07' 120.0 . . ?
C11' C12' C13' 134.6(7) . . ?
C07' C12' C13' 105.4(7) . . ?
C73' C19' C71' 109.0(12) . . ?
C73' C19' C72' 108.8(11) . . ?
C71' C19' C72' 105.8(11) . . ?
C73' C19' C10' 109.3(13) . . ?
C71' C19' C10' 110.8(16) . . ?
C72' C19' C10' 113.0(12) . . ?
C14' C13' C18' 120.0 . . ?
C14' C13' C12' 130.7(7) . . ?
C18' C13' C12' 109.0(7) . . ?
C13' C14' C15' 120.0 . . ?
C14' C15' C16' 120.0 . . ?
C14' C15' C55' 123.0(7) . . ?
C16' C15' C55' 117.0(7) . . ?
C17' C16' C15' 120.0 . . ?
C16' C17' C18' 120.0 . . ?
C17' C18' C13' 120.0 . . ?
C17' C18' N8' 132.4(8) . . ?
C13' C18' N8' 107.6(8) . . ?
C57' C55' C56' 109.3(11) . . ?
C57' C55' C58' 109.3(11) . . ?
C56' C55' C58' 109.1(11) . . ?
C57' C55' C15' 108.8(11) . . ?
C56' C55' C15' 110.3(12) . . ?
C58' C55' C15' 110.1(12) . . ?
C30' C29' C34' 120.0 . . ?
C30' C29' C228 121.4(7) . . ?
C34' C29' C228 118.5(7) . . ?
C29' C30' C31' 120.0 . . ?
C30' C31' C32' 120.0 . . ?
C31' C32' C33' 120.0 . . ?
C31' C32' N9' 121.0(10) . . ?
C33' C32' N9' 118.9(10) . . ?
C34' C33' C32' 120.0 . . ?
C33' C34' C29' 120.0 . . ?
C35' N9' C32' 127.3(11) . . ?
C35' N9' C46' 104.7(10) . . ?
C32' N9' C46' 126.4(12) . . ?
C36' C35' C40' 120.0 . . ?
C36' C35' N9' 129.6(10) . . ?
C40' C35' N9' 110.3(9) . . ?
C37' C36' C35' 120.0 . . ?
C36' C37' C38' 120.0 . . ?
C39' C38' C37' 120.0 . . ?
C39' C38' C81' 120.1(11) . . ?
C37' C38' C81' 119.5(12) . . ?
C40' C39' C38' 120.0 . . ?
C39' C40' C35' 120.0 . . ?
C39' C40' C41' 131.6(8) . . ?
C35' C40' C41' 108.4(8) . . ?
C83' C81' C38' 102.3(15) . . ?
C83' C81' C82' 109.3(12) . . ?
C38' C81' C82' 113.3(16) . . ?
C83' C81' C84' 109.5(12) . . ?
C38' C81' C84' 112.7(14) . . ?
C82' C81' C84' 109.3(12) . . ?
C42' C41' C46' 120.0 . . ?
C42' C41' C40' 135.1(8) . . ?
C46' C41' C40' 104.9(8) . . ?
C43' C42' C41' 120.0 . . ?
C44' C43' C42' 120.0 . . ?
C44' C43' C47' 118.1(9) . . ?
C42' C43' C47' 121.8(9) . . ?
C43' C44' C45' 120.0 . . ?
C46' C45' C44' 120.0 . . ?
C45' C46' C41' 120.0 . . ?
C45' C46' N9' 128.4(8) . . ?
C41' C46' N9' 111.6(8) . . ?
C50' C47' C48' 105.5(11) . . ?
C50' C47' C49' 107.2(10) . . ?
C48' C47' C49' 112.4(11) . . ?
C50' C47' C43' 107.9(11) . . ?
C48' C47' C43' 108.8(12) . . ?
C49' C47' C43' 114.5(12) . . ?
C227 C228 C29' 164.2(9) . . ?
C227 C228 C229 167.8(9) . . ?
C228 C227 Cu3 148.6(7) . . ?
C228 C227 Cu5 119.3(7) . . ?
Cu3 C227 Cu5 80.0(3) . . ?
C228 C227 Ag3 125.7(6) . . ?
Cu3 C227 Ag3 73.1(2) . . ?
Cu5 C227 Ag3 92.7(3) . . ?
O4 Cl1 O2 114.5(11) . . ?
O4 Cl1 O3 109.2(11) . . ?
O2 Cl1 O3 109.9(11) . . ?
O4 Cl1 O1 111.8(11) . . ?
O2 Cl1 O1 107.9(10) . . ?
O3 Cl1 O1 103.0(10) . . ?
O3' Cl1' O1' 112.4(8) . . ?
O3' Cl1' O4' 110.8(8) . . ?
O1' Cl1' O4' 108.4(7) . . ?
O3' Cl1' O2' 109.7(9) . . ?
O1' Cl1' O2' 105.6(7) . . ?
O4' Cl1' O2' 109.8(7) . . ?

_refine_diff_density_max         3.856
_refine_diff_density_min         -1.435
_refine_diff_density_rms         0.151



