# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_RePPr3Cl2Hbim_dimer_100
_database_code_depnum_ccdc_archive 'CCDC 1870898'
_audit_update_record             
;
2018-11-01 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H47 Cl2 N4 P2 Re'
_chemical_formula_weight         710.69

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'
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'
Re Re -1.0185 7.2310 '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                   9.9222(8)
_cell_length_b                   11.3070(10)
_cell_length_c                   15.2175(13)
_cell_angle_alpha                97.2105(11)
_cell_angle_beta                 98.8142(11)
_cell_angle_gamma                107.5054(11)
_cell_volume                     1582.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    6523
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      28.49

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_F_000             716
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    4.129
_shelx_estimated_absorpt_T_min   0.371
_shelx_estimated_absorpt_T_max   0.371
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.25
_exptl_absorpt_correction_T_max  0.37
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            8379
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.921
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             5504
_reflns_number_gt                5257
_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0377P)²+0.2371P] 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         5504
_refine_ls_number_parameters     304
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0267
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_ref         0.0641
_refine_ls_wR_factor_gt          0.0632
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.001
_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
C1 C 0.8736(4) 0.3838(3) 0.2095(2) 0.0259(8) Uani 1 1 d . . . . .
H1 H 0.8568 0.3669 0.1466 0.031 Uiso 1 1 calc R U . . .
C2 C 1.0050(4) 0.4260(4) 0.2658(2) 0.0282(8) Uani 1 1 d . . . . .
H2 H 1.0939 0.4428 0.2487 0.034 Uiso 1 1 calc R U . . .
C3 C 0.5486(4) 0.3738(4) 0.4568(2) 0.0287(8) Uani 1 1 d . . . . .
H3 H 0.4506 0.3533 0.4570 0.034 Uiso 1 1 calc R U . . .
C4 C 0.6588(4) 0.4163(4) 0.5309(3) 0.0339(9) Uani 1 1 d . . . . .
H4 H 0.6468 0.4299 0.5903 0.041 Uiso 1 1 calc R U . . .
C5 C 0.8396(3) 0.4052(3) 0.3483(2) 0.0229(7) Uani 1 1 d . . . . .
C6 C 0.7541(4) 0.4046(3) 0.4163(2) 0.0223(7) Uani 1 1 d . . . . .
C7 C 0.7052(4) 0.6084(3) 0.1601(3) 0.0298(8) Uani 1 1 d . . . . .
H7A H 0.7990 0.6052 0.1870 0.036 Uiso 1 1 calc R U . . .
H7B H 0.6733 0.5511 0.1024 0.036 Uiso 1 1 calc R U . . .
C8 C 0.7244(4) 0.7423(4) 0.1423(3) 0.0358(9) Uani 1 1 d . . . . .
H8A H 0.6364 0.7433 0.1048 0.043 Uiso 1 1 calc R U . . .
H8B H 0.7413 0.7990 0.1992 0.043 Uiso 1 1 calc R U . . .
C9 C 0.8503(5) 0.7889(4) 0.0951(4) 0.0543(13) Uani 1 1 d . . . . .
H9A H 0.9362 0.7828 0.1301 0.081 Uiso 1 1 calc R U . . .
H9B H 0.8645 0.8752 0.0894 0.081 Uiso 1 1 calc R U . . .
H9C H 0.8294 0.7380 0.0361 0.081 Uiso 1 1 calc R U . . .
C10 C 0.4177(4) 0.5894(4) 0.1919(3) 0.0311(8) Uani 1 1 d . . . . .
H10A H 0.3521 0.5697 0.2332 0.037 Uiso 1 1 calc R U . . .
H10B H 0.4457 0.6795 0.1929 0.037 Uiso 1 1 calc R U . . .
C11 C 0.3379(4) 0.5206(4) 0.0964(3) 0.0380(9) Uani 1 1 d . . . . .
H11A H 0.4016 0.5426 0.0544 0.046 Uiso 1 1 calc R U . . .
H11B H 0.3116 0.4303 0.0945 0.046 Uiso 1 1 calc R U . . .
C12 C 0.2026(5) 0.5541(5) 0.0672(3) 0.0552(13) Uani 1 1 d . . . . .
H12A H 0.1378 0.5298 0.1075 0.083 Uiso 1 1 calc R U . . .
H12B H 0.1563 0.5102 0.0068 0.083 Uiso 1 1 calc R U . . .
H12C H 0.2282 0.6433 0.0688 0.083 Uiso 1 1 calc R U . . .
C13 C 0.6515(4) 0.6619(4) 0.3416(3) 0.0351(9) Uani 1 1 d . . . . .
H13A H 0.6199 0.7344 0.3359 0.042 Uiso 1 1 calc R U . . .
H13B H 0.6076 0.6220 0.3878 0.042 Uiso 1 1 calc R U . . .
C14 C 0.8140(4) 0.7096(4) 0.3754(3) 0.0385(10) Uani 1 1 d . . . . .
H14A H 0.8587 0.7620 0.3351 0.046 Uiso 1 1 calc R U . . .
H14B H 0.8492 0.6383 0.3737 0.046 Uiso 1 1 calc R U . . .
C15 C 0.8586(6) 0.7856(6) 0.4713(4) 0.0749(19) Uani 1 1 d . . . . .
H15A H 0.8267 0.8579 0.4729 0.112 Uiso 1 1 calc R U . . .
H15B H 0.9618 0.8129 0.4897 0.112 Uiso 1 1 calc R U . . .
H15C H 0.8156 0.7339 0.5116 0.112 Uiso 1 1 calc R U . . .
C16 C 0.6662(5) 0.0681(4) 0.2977(3) 0.0406(10) Uani 1 1 d . . . . .
H16A H 0.7193 0.1300 0.3516 0.049 Uiso 1 1 calc R U . . .
H16B H 0.6387 -0.0141 0.3152 0.049 Uiso 1 1 calc R U . . .
C17 C 0.7645(5) 0.0691(4) 0.2301(3) 0.0437(10) Uani 1 1 d . . . . .
H17A H 0.7720 0.1412 0.2004 0.052 Uiso 1 1 calc R U . . .
H17B H 0.7232 -0.0067 0.1843 0.052 Uiso 1 1 calc R U . . .
C18 C 0.9165(5) 0.0758(5) 0.2781(4) 0.0631(15) Uani 1 1 d . . . . .
H18A H 0.9573 0.1509 0.3234 0.095 Uiso 1 1 calc R U . . .
H18B H 0.9773 0.0776 0.2345 0.095 Uiso 1 1 calc R U . . .
H18C H 0.9093 0.0032 0.3060 0.095 Uiso 1 1 calc R U . . .
C19 C 0.4175(5) -0.0108(4) 0.1478(3) 0.0402(10) Uani 1 1 d . . . . .
H19A H 0.4772 0.0098 0.1034 0.048 Uiso 1 1 calc R U . . .
H19B H 0.4144 -0.0941 0.1590 0.048 Uiso 1 1 calc R U . . .
C20 C 0.2640(5) -0.0143(4) 0.1085(3) 0.0478(12) Uani 1 1 d . . . . .
H20A H 0.2004 -0.0492 0.1480 0.057 Uiso 1 1 calc R U . . .
H20B H 0.2640 0.0712 0.1071 0.057 Uiso 1 1 calc R U . . .
C21 C 0.2059(7) -0.0915(5) 0.0144(4) 0.0668(16) Uani 1 1 d . . . . .
H21A H 0.2654 -0.0547 -0.0258 0.100 Uiso 1 1 calc R U . . .
H21B H 0.1089 -0.0927 -0.0060 0.100 Uiso 1 1 calc R U . . .
H21C H 0.2064 -0.1761 0.0152 0.100 Uiso 1 1 calc R U . . .
C22 C 0.3860(5) 0.0510(4) 0.3335(3) 0.0406(10) Uani 1 1 d . . . . .
H22A H 0.4351 0.1013 0.3927 0.049 Uiso 1 1 calc R U . . .
H22B H 0.2979 0.0708 0.3170 0.049 Uiso 1 1 calc R U . . .
C23 C 0.3435(6) -0.0876(5) 0.3429(4) 0.0604(14) Uani 1 1 d . . . . .
H23A H 0.2942 -0.1398 0.2844 0.072 Uiso 1 1 calc R U . . .
H23B H 0.4300 -0.1085 0.3622 0.072 Uiso 1 1 calc R U . . .
C24 C 0.2462(8) -0.1163(6) 0.4104(5) 0.090(2) Uani 1 1 d . . . . .
H24A H 0.2943 -0.0642 0.4682 0.135 Uiso 1 1 calc R U . . .
H24B H 0.2240 -0.2035 0.4157 0.135 Uiso 1 1 calc R U . . .
H24C H 0.1585 -0.0994 0.3900 0.135 Uiso 1 1 calc R U . . .
Cl1 Cl 0.52009(10) 0.27875(9) 0.08216(6) 0.0290(2) Uani 1 1 d . . . . .
Cl2 Cl 0.29772(9) 0.29855(9) 0.25163(7) 0.0313(2) Uani 1 1 d . . . . .
N1 N 0.7683(3) 0.3700(3) 0.26193(18) 0.0210(6) Uani 1 1 d . . . . .
N2 N 0.9827(3) 0.4394(3) 0.35275(19) 0.0269(7) Uani 1 1 d . . . . .
H2A H 1.0484 0.4650 0.4013 0.032 Uiso 1 1 calc R U . . .
N3 N 0.6098(3) 0.3673(3) 0.38193(19) 0.0223(6) Uani 1 1 d . . . . .
N4 N 0.7899(3) 0.4360(3) 0.5057(2) 0.0296(7) Uani 1 1 d . . . . .
P1 P 0.57955(10) 0.54918(9) 0.23298(6) 0.0234(2) Uani 1 1 d . . . . .
P2 P 0.50061(11) 0.10324(9) 0.25276(7) 0.0294(2) Uani 1 1 d . . . . .
Re1 Re 0.54209(2) 0.32566(2) 0.24126(2) 0.01887(6) Uani 1 1 d . . . . .


_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
C1 C2 1.358(5) . ?
C1 N1 1.394(4) . ?
C1 H1 0.9300 . ?
C2 N2 1.371(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.367(5) . ?
C3 N3 1.376(4) . ?
C3 H3 0.9300 . ?
C4 N4 1.373(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.342(4) . ?
C5 N2 1.343(4) . ?
C5 C6 1.434(5) . ?
C6 N4 1.326(5) . ?
C6 N3 1.361(4) . ?
C7 C8 1.534(5) . ?
C7 P1 1.827(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.525(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.528(5) . ?
C10 P1 1.838(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.519(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.519(6) . ?
C13 P1 1.852(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.524(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.520(6) . ?
C16 P2 1.855(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.547(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.536(6) . ?
C19 P2 1.826(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.508(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.527(6) . ?
C22 P2 1.833(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.514(7) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
Cl1 Re1 2.3742(9) . ?
Cl2 Re1 2.3833(9) . ?
N1 Re1 2.111(3) . ?
N2 H2A 0.8600 . ?
N3 Re1 2.091(3) . ?
P1 Re1 2.4638(9) . ?
P2 Re1 2.4566(10) . ?

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
C2 C1 N1 108.3(3) . . ?
C2 C1 H1 125.9 . . ?
N1 C1 H1 125.9 . . ?
C1 C2 N2 107.5(3) . . ?
C1 C2 H2 126.3 . . ?
N2 C2 H2 126.3 . . ?
C4 C3 N3 107.1(3) . . ?
C4 C3 H3 126.4 . . ?
N3 C3 H3 126.4 . . ?
C3 C4 N4 110.8(3) . . ?
C3 C4 H4 124.6 . . ?
N4 C4 H4 124.6 . . ?
N1 C5 N2 110.6(3) . . ?
N1 C5 C6 116.8(3) . . ?
N2 C5 C6 132.5(3) . . ?
N4 C6 N3 114.5(3) . . ?
N4 C6 C5 132.0(3) . . ?
N3 C6 C5 113.5(3) . . ?
C8 C7 P1 116.8(3) . . ?
C8 C7 H7A 108.1 . . ?
P1 C7 H7A 108.1 . . ?
C8 C7 H7B 108.1 . . ?
P1 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
C9 C8 C7 111.5(4) . . ?
C9 C8 H8A 109.3 . . ?
C7 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 P1 114.1(3) . . ?
C11 C10 H10A 108.7 . . ?
P1 C10 H10A 108.7 . . ?
C11 C10 H10B 108.7 . . ?
P1 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C12 C11 C10 111.9(4) . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C10 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 117.4(3) . . ?
C14 C13 H13A 108.0 . . ?
P1 C13 H13A 108.0 . . ?
C14 C13 H13B 108.0 . . ?
P1 C13 H13B 108.0 . . ?
H13A C13 H13B 107.2 . . ?
C13 C14 C15 112.6(4) . . ?
C13 C14 H14A 109.1 . . ?
C15 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
C15 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 P2 113.2(3) . . ?
C17 C16 H16A 108.9 . . ?
P2 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
P2 C16 H16B 108.9 . . ?
H16A C16 H16B 107.8 . . ?
C16 C17 C18 110.7(4) . . ?
C16 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P2 113.3(3) . . ?
C20 C19 H19A 108.9 . . ?
P2 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
P2 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C21 C20 C19 112.9(4) . . ?
C21 C20 H20A 109.0 . . ?
C19 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
C19 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 P2 118.3(3) . . ?
C23 C22 H22A 107.7 . . ?
P2 C22 H22A 107.7 . . ?
C23 C22 H22B 107.7 . . ?
P2 C22 H22B 107.7 . . ?
H22A C22 H22B 107.1 . . ?
C24 C23 C22 111.9(4) . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C5 N1 C1 106.0(3) . . ?
C5 N1 Re1 116.0(2) . . ?
C1 N1 Re1 137.8(2) . . ?
C5 N2 C2 107.6(3) . . ?
C5 N2 H2A 126.2 . . ?
C2 N2 H2A 126.2 . . ?
C6 N3 C3 104.3(3) . . ?
C6 N3 Re1 117.8(2) . . ?
C3 N3 Re1 137.8(2) . . ?
C6 N4 C4 103.2(3) . . ?
C7 P1 C10 105.38(18) . . ?
C7 P1 C13 104.86(18) . . ?
C10 P1 C13 100.17(19) . . ?
C7 P1 Re1 112.47(13) . . ?
C10 P1 Re1 116.36(13) . . ?
C13 P1 Re1 116.11(14) . . ?
C19 P2 C22 105.5(2) . . ?
C19 P2 C16 105.0(2) . . ?
C22 P2 C16 102.2(2) . . ?
C19 P2 Re1 115.99(14) . . ?
C22 P2 Re1 112.77(15) . . ?
C16 P2 Re1 114.08(15) . . ?
N3 Re1 N1 75.87(10) . . ?
N3 Re1 Cl1 166.88(8) . . ?
N1 Re1 Cl1 91.26(8) . . ?
N3 Re1 Cl2 92.06(8) . . ?
N1 Re1 Cl2 167.37(8) . . ?
Cl1 Re1 Cl2 100.94(3) . . ?
N3 Re1 P2 87.07(8) . . ?
N1 Re1 P2 93.57(8) . . ?
Cl1 Re1 P2 91.28(3) . . ?
Cl2 Re1 P2 89.46(3) . . ?
N3 Re1 P1 91.93(8) . . ?
N1 Re1 P1 87.42(8) . . ?
Cl1 Re1 P1 89.98(3) . . ?
Cl2 Re1 P1 89.31(3) . . ?
P2 Re1 P1 178.38(3) . . ?

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
N1 C1 C2 N2 -0.3(4) . . . . ?
N3 C3 C4 N4 -0.7(5) . . . . ?
N1 C5 C6 N4 -178.3(4) . . . . ?
N2 C5 C6 N4 -1.3(7) . . . . ?
N1 C5 C6 N3 0.1(5) . . . . ?
N2 C5 C6 N3 177.1(4) . . . . ?
P1 C7 C8 C9 169.9(3) . . . . ?
P1 C10 C11 C12 178.1(3) . . . . ?
P1 C13 C14 C15 -171.4(4) . . . . ?
P2 C16 C17 C18 164.5(3) . . . . ?
P2 C19 C20 C21 170.1(4) . . . . ?
P2 C22 C23 C24 -178.6(5) . . . . ?
N2 C5 N1 C1 -0.3(4) . . . . ?
C6 C5 N1 C1 177.4(3) . . . . ?
N2 C5 N1 Re1 -175.7(2) . . . . ?
C6 C5 N1 Re1 2.0(4) . . . . ?
C2 C1 N1 C5 0.4(4) . . . . ?
C2 C1 N1 Re1 174.2(3) . . . . ?
N1 C5 N2 C2 0.1(4) . . . . ?
C6 C5 N2 C2 -177.1(4) . . . . ?
C1 C2 N2 C5 0.2(4) . . . . ?
N4 C6 N3 C3 -1.0(4) . . . . ?
C5 C6 N3 C3 -179.7(3) . . . . ?
N4 C6 N3 Re1 176.5(2) . . . . ?
C5 C6 N3 Re1 -2.1(4) . . . . ?
C4 C3 N3 C6 1.0(4) . . . . ?
C4 C3 N3 Re1 -175.8(3) . . . . ?
N3 C6 N4 C4 0.6(4) . . . . ?
C5 C6 N4 C4 179.0(4) . . . . ?
C3 C4 N4 C6 0.1(5) . . . . ?
C8 C7 P1 C10 46.1(3) . . . . ?
C8 C7 P1 C13 -59.1(3) . . . . ?
C8 C7 P1 Re1 173.8(3) . . . . ?
C11 C10 P1 C7 65.7(3) . . . . ?
C11 C10 P1 C13 174.3(3) . . . . ?
C11 C10 P1 Re1 -59.7(3) . . . . ?
C14 C13 P1 C7 -40.5(4) . . . . ?
C14 C13 P1 C10 -149.5(3) . . . . ?
C14 C13 P1 Re1 84.3(3) . . . . ?
C20 C19 P2 C22 61.8(4) . . . . ?
C20 C19 P2 C16 169.3(3) . . . . ?
C20 C19 P2 Re1 -63.8(3) . . . . ?
C23 C22 P2 C19 48.6(4) . . . . ?
C23 C22 P2 C16 -61.0(4) . . . . ?
C23 C22 P2 Re1 176.1(4) . . . . ?
C17 C16 P2 C19 54.5(4) . . . . ?
C17 C16 P2 C22 164.4(3) . . . . ?
C17 C16 P2 Re1 -73.6(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A N4 0.86 1.91 2.748(4) 163.7 2_766
C22 H22B Cl2 0.97 2.88 3.488(4) 122.0 .
C17 H17A N1 0.97 2.65 3.364(5) 130.5 .
C11 H11B Cl2 0.97 2.97 3.635(4) 126.7 .
C8 H8A Cl1 0.97 2.97 3.810(4) 145.9 2_665
C7 H7B Cl1 0.97 2.95 3.574(4) 123.3 .
C2 H2 Cl2 0.93 2.95 3.632(4) 130.9 1_655

_refine_diff_density_max         0.548
_refine_diff_density_min         -1.780
_refine_diff_density_rms         0.140

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_OsPPr3Cl2Hbim_dimer_100
_database_code_depnum_ccdc_archive 'CCDC 1870899'
_audit_update_record             
;
2018-11-01 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C144 H282 Cl12 N24 Os6 P12'
_chemical_formula_weight         4288.16

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'
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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   45.768(5)
_cell_length_b                   25.407(3)
_cell_length_c                   33.927(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.095(2)
_cell_angle_gamma                90
_cell_volume                     38264(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9953
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      23.75

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_F_000             17232
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    4.285
_shelx_estimated_absorpt_T_min   0.481
_shelx_estimated_absorpt_T_max   0.481
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.23
_exptl_absorpt_correction_T_max  0.48
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            119850
_diffrn_reflns_av_unetI/netI     0.1100
_diffrn_reflns_av_R_equivalents  0.0810
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         0.923
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             43447
_reflns_number_gt                27425
_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 APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0438P)²+496.0577P] 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         43447
_refine_ls_number_parameters     1687
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0613
_refine_ls_wR_factor_ref         0.1430
_refine_ls_wR_factor_gt          0.1193
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_restrained_S_all      0.983
_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
C1 C 0.8761(2) 0.3743(4) 0.7143(3) 0.033(2) Uani 1 1 d . . . . .
H1 H 0.8754 0.3931 0.7375 0.039 Uiso 1 1 calc R U . . .
C2 C 0.8897(2) 0.3263(3) 0.7131(3) 0.034(2) Uani 1 1 d . . . . .
H2 H 0.8998 0.3073 0.7357 0.040 Uiso 1 1 calc R U . . .
C3 C 0.8352(2) 0.3996(4) 0.5554(3) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.8240 0.4251 0.5386 0.041 Uiso 1 1 calc R U . . .
C4 C 0.8459(2) 0.3545(4) 0.5429(3) 0.039(2) Uani 1 1 d . . . . .
H4 H 0.8434 0.3443 0.5160 0.047 Uiso 1 1 calc R U . . .
C5 C 0.87026(19) 0.3498(3) 0.6518(3) 0.029(2) Uani 1 1 d . . . . .
C6 C 0.85923(18) 0.3560(3) 0.6088(3) 0.0272(19) Uani 1 1 d . . . . .
C7 C 0.91668(19) 0.4652(4) 0.6560(3) 0.040(2) Uani 1 1 d . . . . .
H7A H 0.9139 0.4290 0.6469 0.047 Uiso 1 1 calc R U . . .
H7B H 0.9313 0.4811 0.6432 0.047 Uiso 1 1 calc R U . . .
C8 C 0.9297(2) 0.4655(4) 0.7023(3) 0.047(3) Uani 1 1 d . . . . .
H8A H 0.9384 0.4997 0.7104 0.056 Uiso 1 1 calc R U . . .
H8B H 0.9134 0.4601 0.7156 0.056 Uiso 1 1 calc R U . . .
C9 C 0.9532(2) 0.4241(5) 0.7166(4) 0.065(4) Uani 1 1 d . . . . .
H9A H 0.9698 0.4298 0.7043 0.097 Uiso 1 1 calc R U . . .
H9B H 0.9447 0.3899 0.7090 0.097 Uiso 1 1 calc R U . . .
H9C H 0.9603 0.4259 0.7456 0.097 Uiso 1 1 calc R U . . .
C10 C 0.8796(2) 0.5186(4) 0.5858(3) 0.039(2) Uani 1 1 d . . . . .
H10A H 0.8794 0.4865 0.5703 0.047 Uiso 1 1 calc R U . . .
H10B H 0.8605 0.5362 0.5749 0.047 Uiso 1 1 calc R U . . .
C11 C 0.9039(2) 0.5531(5) 0.5779(3) 0.056(3) Uani 1 1 d . . . . .
H11A H 0.9076 0.5813 0.5977 0.067 Uiso 1 1 calc R U . . .
H11B H 0.9223 0.5326 0.5818 0.067 Uiso 1 1 calc R U . . .
C12 C 0.8971(3) 0.5765(4) 0.5363(3) 0.058(3) Uani 1 1 d . . . . .
H12A H 0.8779 0.5940 0.5310 0.088 Uiso 1 1 calc R U . . .
H12B H 0.8965 0.5492 0.5166 0.088 Uiso 1 1 calc R U . . .
H12C H 0.9124 0.6016 0.5346 0.088 Uiso 1 1 calc R U . . .
C13 C 0.8869(2) 0.5619(3) 0.6669(3) 0.038(2) Uani 1 1 d . . . . .
H13A H 0.8875 0.5548 0.6952 0.046 Uiso 1 1 calc R U . . .
H13B H 0.9063 0.5762 0.6657 0.046 Uiso 1 1 calc R U . . .
C14 C 0.8626(2) 0.6037(4) 0.6511(3) 0.049(3) Uani 1 1 d . . . . .
H14A H 0.8429 0.5888 0.6500 0.059 Uiso 1 1 calc R U . . .
H14B H 0.8632 0.6137 0.6237 0.059 Uiso 1 1 calc R U . . .
C15 C 0.8671(3) 0.6523(5) 0.6780(4) 0.081(5) Uani 1 1 d . . . . .
H15A H 0.8856 0.6693 0.6768 0.122 Uiso 1 1 calc R U . . .
H15B H 0.8680 0.6422 0.7055 0.122 Uiso 1 1 calc R U . . .
H15C H 0.8506 0.6762 0.6686 0.122 Uiso 1 1 calc R U . . .
C16 C 0.7627(2) 0.4437(4) 0.6536(3) 0.044(3) Uani 1 1 d . . . . .
H16A H 0.7697 0.4647 0.6780 0.053 Uiso 1 1 calc R U . . .
H16B H 0.7583 0.4677 0.6308 0.053 Uiso 1 1 calc R U . . .
C17 C 0.7330(2) 0.4177(4) 0.6562(4) 0.059(3) Uani 1 1 d . . . . .
H17A H 0.7253 0.3970 0.6318 0.071 Uiso 1 1 calc R U . . .
H17B H 0.7368 0.3940 0.6793 0.071 Uiso 1 1 calc R U . . .
C18 C 0.7097(3) 0.4576(6) 0.6605(6) 0.105(6) Uani 1 1 d . . . . .
H18A H 0.7066 0.4820 0.6383 0.157 Uiso 1 1 calc R U . . .
H18B H 0.7166 0.4763 0.6857 0.157 Uiso 1 1 calc R U . . .
H18C H 0.6911 0.4400 0.6603 0.157 Uiso 1 1 calc R U . . .
C19 C 0.7780(2) 0.3585(4) 0.6057(3) 0.047(3) Uani 1 1 d . . . . .
H19A H 0.7942 0.3370 0.6007 0.056 Uiso 1 1 calc R U . . .
H19B H 0.7637 0.3350 0.6137 0.056 Uiso 1 1 calc R U . . .
C20 C 0.7622(2) 0.3851(5) 0.5660(3) 0.055(3) Uani 1 1 d . . . . .
H20A H 0.7751 0.4127 0.5600 0.066 Uiso 1 1 calc R U . . .
H20B H 0.7437 0.4013 0.5692 0.066 Uiso 1 1 calc R U . . .
C21 C 0.7547(3) 0.3464(6) 0.5305(4) 0.087(5) Uani 1 1 d . . . . .
H21A H 0.7413 0.3198 0.5358 0.130 Uiso 1 1 calc R U . . .
H21B H 0.7730 0.3301 0.5272 0.130 Uiso 1 1 calc R U . . .
H21C H 0.7453 0.3649 0.5060 0.130 Uiso 1 1 calc R U . . .
C22 C 0.7990(2) 0.3544(4) 0.6907(3) 0.052(3) Uani 1 1 d . . . . .
H22A H 0.7808 0.3334 0.6872 0.062 Uiso 1 1 calc R U . . .
H22B H 0.8153 0.3308 0.6890 0.062 Uiso 1 1 calc R U . . .
C23 C 0.8059(3) 0.3779(5) 0.7323(4) 0.074(4) Uani 1 1 d . . . . .
H23A H 0.7883 0.3966 0.7359 0.089 Uiso 1 1 calc R U . . .
H23B H 0.8220 0.4033 0.7345 0.089 Uiso 1 1 calc R U . . .
C24 C 0.8154(4) 0.3362(7) 0.7669(5) 0.132(8) Uani 1 1 d . . . . .
H24A H 0.8336 0.3475 0.7856 0.199 Uiso 1 1 calc R U . . .
H24B H 0.8188 0.3029 0.7553 0.199 Uiso 1 1 calc R U . . .
H24C H 0.7997 0.3326 0.7810 0.199 Uiso 1 1 calc R U . . .
C25 C 0.9415(2) 0.1487(3) 0.6838(3) 0.036(2) Uani 1 1 d . . . . .
H25 H 0.9530 0.1237 0.7007 0.043 Uiso 1 1 calc R U . . .
C26 C 0.9297(2) 0.1935(4) 0.6962(3) 0.037(2) Uani 1 1 d . . . . .
H26 H 0.9320 0.2042 0.7230 0.045 Uiso 1 1 calc R U . . .
C27 C 0.9043(2) 0.1760(4) 0.5251(3) 0.041(2) Uani 1 1 d . . . . .
H27 H 0.9070 0.1584 0.5022 0.049 Uiso 1 1 calc R U . . .
C28 C 0.8888(2) 0.2215(4) 0.5250(3) 0.044(3) Uani 1 1 d . . . . .
H28 H 0.8787 0.2400 0.5020 0.052 Uiso 1 1 calc R U . . .
C29 C 0.91652(19) 0.1906(3) 0.6306(3) 0.031(2) Uani 1 1 d . . . . .
C30 C 0.90643(19) 0.1984(3) 0.5877(3) 0.0269(19) Uani 1 1 d . . . . .
C31 C 0.9881(2) 0.1906(4) 0.5607(3) 0.054(3) Uani 1 1 d . . . . .
H31A H 0.9735 0.2173 0.5631 0.065 Uiso 1 1 calc R U . . .
H31B H 1.0079 0.2068 0.5677 0.065 Uiso 1 1 calc R U . . .
C32 C 0.9815(3) 0.1721(5) 0.5167(3) 0.061(3) Uani 1 1 d . . . . .
H32A H 0.9609 0.1597 0.5087 0.073 Uiso 1 1 calc R U . . .
H32B H 0.9945 0.1426 0.5149 0.073 Uiso 1 1 calc R U . . .
C33 C 0.9859(4) 0.2143(5) 0.4874(4) 0.108(6) Uani 1 1 d . . . . .
H33A H 1.0067 0.2250 0.4938 0.162 Uiso 1 1 calc R U . . .
H33B H 0.9735 0.2441 0.4894 0.162 Uiso 1 1 calc R U . . .
H33C H 0.9804 0.2008 0.4602 0.162 Uiso 1 1 calc R U . . .
C34 C 1.0063(2) 0.1686(5) 0.6459(4) 0.058(3) Uani 1 1 d . . . . .
H34A H 1.0034 0.1460 0.6677 0.070 Uiso 1 1 calc R U . . .
H34B H 1.0277 0.1694 0.6474 0.070 Uiso 1 1 calc R U . . .
C35 C 0.9966(3) 0.2229(5) 0.6537(4) 0.071(4) Uani 1 1 d . . . . .
H35A H 0.9750 0.2232 0.6502 0.086 Uiso 1 1 calc R U . . .
H35B H 1.0014 0.2466 0.6338 0.086 Uiso 1 1 calc R U . . .
C36 C 1.0118(4) 0.2432(7) 0.6965(4) 0.111(6) Uani 1 1 d . . . . .
H36A H 1.0329 0.2480 0.6988 0.166 Uiso 1 1 calc R U . . .
H36B H 1.0089 0.2180 0.7163 0.166 Uiso 1 1 calc R U . . .
H36C H 1.0029 0.2762 0.7010 0.166 Uiso 1 1 calc R U . . .
C37 C 1.0145(3) 0.0901(5) 0.5887(5) 0.084(3) Uani 1 1 d . . . . .
H37A H 1.0178 0.0649 0.6109 0.101 Uiso 1 1 calc R U . . .
H37B H 1.0054 0.0710 0.5640 0.101 Uiso 1 1 calc R U . . .
C38 C 1.0448(3) 0.1094(5) 0.5853(5) 0.084(3) Uani 1 1 d . . . . .
H38A H 1.0545 0.1275 0.6102 0.101 Uiso 1 1 calc R U . . .
H38B H 1.0419 0.1347 0.5633 0.101 Uiso 1 1 calc R U . . .
C39 C 1.0653(3) 0.0660(5) 0.5775(5) 0.084(3) Uani 1 1 d . . . . .
H39A H 1.0834 0.0811 0.5730 0.126 Uiso 1 1 calc R U . . .
H39B H 1.0552 0.0463 0.5540 0.126 Uiso 1 1 calc R U . . .
H39C H 1.0702 0.0430 0.6007 0.126 Uiso 1 1 calc R U . . .
C40 C 0.8604(4) 0.0761(7) 0.5646(6) 0.137(3) Uani 1 1 d D . . . .
H40A H 0.8442 0.0579 0.5726 0.164 Uiso 1 1 calc R U . . .
H40B H 0.8591 0.1126 0.5723 0.164 Uiso 1 1 calc R U . . .
C41 C 0.8527(3) 0.0756(7) 0.5208(6) 0.137(3) Uani 1 1 d D . . . .
H41A H 0.8487 0.0394 0.5120 0.164 Uiso 1 1 calc R U . . .
H41B H 0.8703 0.0869 0.5118 0.164 Uiso 1 1 calc R U . . .
C42 C 0.8266(3) 0.1084(6) 0.4991(6) 0.137(3) Uani 1 1 d D . . . .
H42A H 0.8081 0.0910 0.4999 0.205 Uiso 1 1 calc R U . . .
H42B H 0.8274 0.1131 0.4713 0.205 Uiso 1 1 calc R U . . .
H42C H 0.8274 0.1421 0.5121 0.205 Uiso 1 1 calc R U . . .
C43 C 0.8926(3) -0.0140(6) 0.5759(6) 0.137(3) Uani 1 1 d D . . . .
H43A H 0.8732 -0.0285 0.5770 0.164 Uiso 1 1 calc R U . . .
H43B H 0.8923 -0.0104 0.5473 0.164 Uiso 1 1 calc R U . . .
C44 C 0.9150(3) -0.0535(6) 0.5923(6) 0.137(3) Uani 1 1 d D . . . .
H44A H 0.9157 -0.0567 0.6210 0.164 Uiso 1 1 calc R U . . .
H44B H 0.9343 -0.0395 0.5904 0.164 Uiso 1 1 calc R U . . .
C45 C 0.9128(4) -0.1085(6) 0.5752(6) 0.137(3) Uani 1 1 d D . . . .
H45A H 0.9241 -0.1107 0.5549 0.205 Uiso 1 1 calc R U . . .
H45B H 0.8920 -0.1168 0.5633 0.205 Uiso 1 1 calc R U . . .
H45C H 0.9208 -0.1330 0.5967 0.205 Uiso 1 1 calc R U . . .
C46 C 0.8895(4) 0.0397(7) 0.6475(6) 0.137(3) Uani 1 1 d D . . . .
H46A H 0.8794 0.0065 0.6488 0.164 Uiso 1 1 calc R U . . .
H46B H 0.9088 0.0393 0.6671 0.164 Uiso 1 1 calc R U . . .
C47 C 0.8711(4) 0.0836(7) 0.6553(6) 0.137(3) Uani 1 1 d D . . . .
H47A H 0.8501 0.0782 0.6414 0.164 Uiso 1 1 calc R U . . .
H47B H 0.8778 0.1164 0.6459 0.164 Uiso 1 1 calc R U . . .
C48 C 0.8749(4) 0.0853(7) 0.7042(5) 0.137(3) Uani 1 1 d D . . . .
H48A H 0.8955 0.0927 0.7175 0.205 Uiso 1 1 calc R U . . .
H48B H 0.8692 0.0519 0.7133 0.205 Uiso 1 1 calc R U . . .
H48C H 0.8622 0.1124 0.7108 0.205 Uiso 1 1 calc R U . . .
C49 C 0.9491(2) 0.5352(3) 0.9656(3) 0.033(2) Uani 1 1 d . . . . .
H49 H 0.9667 0.5400 0.9858 0.039 Uiso 1 1 calc R U . . .
C50 C 0.9208(2) 0.5333(4) 0.9713(3) 0.038(2) Uani 1 1 d . . . . .
H50 H 0.9156 0.5369 0.9960 0.046 Uiso 1 1 calc R U . . .
C51 C 0.9241(2) 0.5035(4) 0.8072(3) 0.038(2) Uani 1 1 d . . . . .
H51 H 0.9352 0.5005 0.7876 0.045 Uiso 1 1 calc R U . . .
C52 C 0.8937(2) 0.4993(4) 0.8008(3) 0.037(2) Uani 1 1 d . . . . .
H52 H 0.8806 0.4930 0.7757 0.045 Uiso 1 1 calc R U . . .
C53 C 0.91842(19) 0.5227(3) 0.9071(3) 0.0261(19) Uani 1 1 d . . . . .
C54 C 0.91117(19) 0.5138(3) 0.8646(3) 0.028(2) Uani 1 1 d . . . . .
C55 C 0.9698(2) 0.4092(3) 0.9448(3) 0.036(2) Uani 1 1 d . . . . .
H55A H 0.9785 0.4315 0.9678 0.044 Uiso 1 1 calc R U . . .
H55B H 0.9483 0.4159 0.9377 0.044 Uiso 1 1 calc R U . . .
C56 C 0.9743(2) 0.3520(4) 0.9594(3) 0.046(3) Uani 1 1 d . . . . .
H56A H 0.9684 0.3287 0.9362 0.055 Uiso 1 1 calc R U . . .
H56B H 0.9955 0.3461 0.9716 0.055 Uiso 1 1 calc R U . . .
C57 C 0.9564(3) 0.3388(4) 0.9896(4) 0.057(3) Uani 1 1 d . . . . .
H57A H 0.9353 0.3418 0.9769 0.086 Uiso 1 1 calc R U . . .
H57B H 0.9616 0.3628 1.0121 0.086 Uiso 1 1 calc R U . . .
H57C H 0.9609 0.3035 0.9992 0.086 Uiso 1 1 calc R U . . .
C58 C 0.9675(2) 0.3881(4) 0.8599(3) 0.049(3) Uani 1 1 d . . . . .
H58A H 0.9713 0.4029 0.8352 0.058 Uiso 1 1 calc R U . . .
H58B H 0.9776 0.3542 0.8643 0.058 Uiso 1 1 calc R U . . .
C59 C 0.9345(2) 0.3796(4) 0.8535(3) 0.052(3) Uani 1 1 d . . . . .
H59A H 0.9243 0.4134 0.8512 0.063 Uiso 1 1 calc R U . . .
H59B H 0.9306 0.3612 0.8767 0.063 Uiso 1 1 calc R U . . .
C60 C 0.9222(3) 0.3471(5) 0.8145(4) 0.083(5) Uani 1 1 d . . . . .
H60A H 0.9284 0.3111 0.8193 0.125 Uiso 1 1 calc R U . . .
H60B H 0.9300 0.3610 0.7928 0.125 Uiso 1 1 calc R U . . .
H60C H 0.9006 0.3490 0.8071 0.125 Uiso 1 1 calc R U . . .
C61 C 1.0250(2) 0.4139(4) 0.9160(4) 0.059(3) Uani 1 1 d . . . . .
H61A H 1.0349 0.4376 0.9009 0.071 Uiso 1 1 calc R U . . .
H61B H 1.0328 0.4223 0.9445 0.071 Uiso 1 1 calc R U . . .
C62 C 1.0354(3) 0.3616(5) 0.9102(6) 0.115(7) Uani 1 1 d . . . . .
H62A H 1.0298 0.3532 0.8814 0.139 Uiso 1 1 calc R U . . .
H62B H 1.0253 0.3366 0.9241 0.139 Uiso 1 1 calc R U . . .
C63 C 1.0687(3) 0.3555(6) 0.9256(6) 0.111(6) Uani 1 1 d . . . . .
H63A H 1.0740 0.3577 0.9548 0.167 Uiso 1 1 calc R U . . .
H63B H 1.0788 0.3830 0.9146 0.167 Uiso 1 1 calc R U . . .
H63C H 1.0748 0.3219 0.9174 0.167 Uiso 1 1 calc R U . . .
C64 C 1.0083(3) 0.6523(7) 0.8855(5) 0.103(3) Uani 1 1 d D . . . .
H64A H 1.0028 0.6890 0.8804 0.123 Uiso 1 1 calc R U . . .
H64B H 1.0163 0.6487 0.9146 0.123 Uiso 1 1 calc R U . . .
C65 C 1.0327(3) 0.6414(6) 0.8664(5) 0.103(3) Uani 1 1 d D . . . .
H65A H 1.0254 0.6418 0.8371 0.123 Uiso 1 1 calc R U . . .
H65B H 1.0413 0.6070 0.8746 0.123 Uiso 1 1 calc R U . . .
C66 C 1.0576(3) 0.6864(6) 0.8807(5) 0.103(3) Uani 1 1 d D . . . .
H66A H 1.0661 0.6834 0.9094 0.154 Uiso 1 1 calc R U . . .
H66B H 1.0484 0.7203 0.8748 0.154 Uiso 1 1 calc R U . . .
H66C H 1.0732 0.6824 0.8665 0.154 Uiso 1 1 calc R U . . .
C67 C 0.9618(3) 0.6248(6) 0.8122(5) 0.107(3) Uani 1 1 d . . . . .
H67A H 0.9744 0.6025 0.8001 0.129 Uiso 1 1 calc R U . . .
H67B H 0.9414 0.6115 0.8033 0.129 Uiso 1 1 calc R U . . .
C68 C 0.9621(3) 0.6753(6) 0.7956(5) 0.107(3) Uani 1 1 d . . . . .
H68A H 0.9826 0.6886 0.8017 0.129 Uiso 1 1 calc R U . . .
H68B H 0.9501 0.6991 0.8074 0.129 Uiso 1 1 calc R U . . .
C69 C 0.9500(3) 0.6725(6) 0.7515(4) 0.107(3) Uani 1 1 d . . . . .
H69A H 0.9285 0.6681 0.7456 0.161 Uiso 1 1 calc R U . . .
H69B H 0.9588 0.6431 0.7408 0.161 Uiso 1 1 calc R U . . .
H69C H 0.9547 0.7044 0.7392 0.161 Uiso 1 1 calc R U . . .
C70 C 0.9442(4) 0.6497(5) 0.8888(5) 0.123(8) Uani 1 1 d D . . . .
H70A H 0.9389 0.6818 0.8732 0.148 Uiso 1 1 calc R U . . .
H70B H 0.9265 0.6276 0.8848 0.148 Uiso 1 1 calc R U . . .
C71 C 0.9552(4) 0.6620(5) 0.9310(4) 0.116(8) Uani 1 1 d D . . . .
H71A H 0.9705 0.6891 0.9339 0.140 Uiso 1 1 calc R U . . .
H71B H 0.9646 0.6309 0.9452 0.140 Uiso 1 1 calc R U . . .
C72 C 0.9295(3) 0.6820(6) 0.9518(4) 0.084(4) Uani 1 1 d D . . . .
H72A H 0.9132 0.6573 0.9464 0.125 Uiso 1 1 calc R U . . .
H72B H 0.9224 0.7157 0.9410 0.125 Uiso 1 1 calc R U . . .
H72C H 0.9376 0.6849 0.9807 0.125 Uiso 1 1 calc R U . . .
C73 C 0.8024(2) 0.5334(4) 0.9602(3) 0.043(3) Uani 1 1 d . . . . .
H73 H 0.7917 0.5393 0.9798 0.051 Uiso 1 1 calc R U . . .
C74 C 0.8318(2) 0.5247(4) 0.9675(3) 0.050(3) Uani 1 1 d . . . . .
H74 H 0.8449 0.5235 0.9932 0.060 Uiso 1 1 calc R U . . .
C75 C 0.77611(19) 0.5222(3) 0.8000(3) 0.031(2) Uani 1 1 d . . . . .
H75 H 0.7587 0.5257 0.7792 0.038 Uiso 1 1 calc R U . . .
C76 C 0.80430(19) 0.5119(3) 0.7952(3) 0.030(2) Uani 1 1 d . . . . .
H76 H 0.8096 0.5068 0.7707 0.037 Uiso 1 1 calc R U . . .
C77 C 0.8143(2) 0.5219(3) 0.9033(3) 0.030(2) Uani 1 1 d . . . . .
C78 C 0.80674(19) 0.5186(3) 0.8599(2) 0.0244(18) Uani 1 1 d . . . . .
C79 C 0.7467(2) 0.4060(4) 0.8447(3) 0.048(3) Uani 1 1 d . . . . .
H79A H 0.7670 0.4129 0.8422 0.057 Uiso 1 1 calc R U . . .
H79B H 0.7459 0.3697 0.8532 0.057 Uiso 1 1 calc R U . . .
C80 C 0.7249(3) 0.4132(4) 0.8033(3) 0.056(3) Uani 1 1 d . . . . .
H80A H 0.7049 0.4020 0.8046 0.068 Uiso 1 1 calc R U . . .
H80B H 0.7239 0.4501 0.7959 0.068 Uiso 1 1 calc R U . . .
C81 C 0.7348(3) 0.3818(6) 0.7718(4) 0.093(5) Uani 1 1 d . . . . .
H81A H 0.7542 0.3942 0.7694 0.140 Uiso 1 1 calc R U . . .
H81B H 0.7204 0.3857 0.7461 0.140 Uiso 1 1 calc R U . . .
H81C H 0.7363 0.3454 0.7795 0.140 Uiso 1 1 calc R U . . .
C82 C 0.7560(3) 0.4186(5) 0.9317(4) 0.067(3) Uani 1 1 d . . . . .
H82A H 0.7561 0.4434 0.9535 0.081 Uiso 1 1 calc R U . . .
H82B H 0.7438 0.3887 0.9356 0.081 Uiso 1 1 calc R U . . .
C83 C 0.7873(3) 0.4001(5) 0.9354(4) 0.066(3) Uani 1 1 d . . . . .
H83A H 0.7992 0.4285 0.9281 0.079 Uiso 1 1 calc R U . . .
H83B H 0.7872 0.3712 0.9166 0.079 Uiso 1 1 calc R U . . .
C84 C 0.8023(3) 0.3811(6) 0.9804(4) 0.098(5) Uani 1 1 d . . . . .
H84A H 0.7898 0.3549 0.9883 0.147 Uiso 1 1 calc R U . . .
H84B H 0.8043 0.4106 0.9986 0.147 Uiso 1 1 calc R U . . .
H84C H 0.8218 0.3665 0.9815 0.147 Uiso 1 1 calc R U . . .
C85 C 0.6983(3) 0.4390(5) 0.8818(6) 0.112(4) Uani 1 1 d . . . . .
H85A H 0.6929 0.4612 0.9022 0.135 Uiso 1 1 calc R U . . .
H85B H 0.6868 0.4513 0.8555 0.135 Uiso 1 1 calc R U . . .
C86 C 0.6881(3) 0.3830(6) 0.8877(6) 0.112(4) Uani 1 1 d . . . . .
H86A H 0.6949 0.3733 0.9161 0.135 Uiso 1 1 calc R U . . .
H86B H 0.6971 0.3588 0.8719 0.135 Uiso 1 1 calc R U . . .
C87 C 0.6526(3) 0.3786(6) 0.8738(6) 0.112(4) Uani 1 1 d . . . . .
H87A H 0.6455 0.3970 0.8486 0.168 Uiso 1 1 calc R U . . .
H87B H 0.6439 0.3940 0.8942 0.168 Uiso 1 1 calc R U . . .
H87C H 0.6469 0.3423 0.8703 0.168 Uiso 1 1 calc R U . . .
C88 C 0.7550(2) 0.6606(4) 0.8256(3) 0.040(2) Uani 1 1 d . . . . .
H88A H 0.7714 0.6446 0.8166 0.047 Uiso 1 1 calc R U . . .
H88B H 0.7364 0.6495 0.8070 0.047 Uiso 1 1 calc R U . . .
C89 C 0.7575(3) 0.7197(4) 0.8220(3) 0.049(3) Uani 1 1 d . . . . .
H89A H 0.7750 0.7319 0.8422 0.059 Uiso 1 1 calc R U . . .
H89B H 0.7398 0.7361 0.8278 0.059 Uiso 1 1 calc R U . . .
C90 C 0.7602(3) 0.7370(4) 0.7805(3) 0.061(3) Uani 1 1 d . . . . .
H90A H 0.7421 0.7278 0.7606 0.091 Uiso 1 1 calc R U . . .
H90B H 0.7771 0.7198 0.7741 0.091 Uiso 1 1 calc R U . . .
H90C H 0.7630 0.7744 0.7804 0.091 Uiso 1 1 calc R U . . .
C91 C 0.7289(3) 0.6752(4) 0.8945(4) 0.059(3) Uani 1 1 d . . . . .
H91A H 0.7295 0.6648 0.9222 0.070 Uiso 1 1 calc R U . . .
H91B H 0.7356 0.7115 0.8952 0.070 Uiso 1 1 calc R U . . .
C92 C 0.6969(3) 0.6728(5) 0.8702(4) 0.071(4) Uani 1 1 d . . . . .
H92A H 0.6896 0.6370 0.8705 0.085 Uiso 1 1 calc R U . . .
H92B H 0.6961 0.6821 0.8423 0.085 Uiso 1 1 calc R U . . .
C93 C 0.6761(3) 0.7104(5) 0.8871(6) 0.109(6) Uani 1 1 d . . . . .
H93A H 0.6856 0.7442 0.8927 0.163 Uiso 1 1 calc R U . . .
H93B H 0.6725 0.6960 0.9117 0.163 Uiso 1 1 calc R U . . .
H93C H 0.6572 0.7143 0.8674 0.163 Uiso 1 1 calc R U . . .
C94 C 0.7915(3) 0.6591(4) 0.9084(3) 0.051(3) Uani 1 1 d . . . . .
H94A H 0.7893 0.6963 0.9134 0.061 Uiso 1 1 calc R U . . .
H94B H 0.7953 0.6412 0.9345 0.061 Uiso 1 1 calc R U . . .
C95 C 0.8189(2) 0.6519(5) 0.8912(4) 0.060(3) Uani 1 1 d . . . . .
H95A H 0.8180 0.6773 0.8696 0.072 Uiso 1 1 calc R U . . .
H95B H 0.8183 0.6170 0.8794 0.072 Uiso 1 1 calc R U . . .
C96 C 0.8485(3) 0.6585(6) 0.9230(5) 0.105(6) Uani 1 1 d . . . . .
H96A H 0.8479 0.6904 0.9379 0.157 Uiso 1 1 calc R U . . .
H96B H 0.8648 0.6602 0.9098 0.157 Uiso 1 1 calc R U . . .
H96C H 0.8515 0.6291 0.9413 0.157 Uiso 1 1 calc R U . . .
C97 C 0.9125(2) 0.8893(4) 0.9144(3) 0.043(3) Uani 1 1 d . . . . .
H97 H 0.9250 0.8643 0.9300 0.052 Uiso 1 1 calc R U . . .
C98 C 0.8987(2) 0.9297(4) 0.9292(3) 0.039(2) Uani 1 1 d . . . . .
H98 H 0.8998 0.9366 0.9565 0.047 Uiso 1 1 calc R U . . .
C99 C 0.8740(2) 0.9295(4) 0.7579(3) 0.042(2) Uani 1 1 d . . . . .
H99 H 0.8769 0.9151 0.7339 0.050 Uiso 1 1 calc R U . . .
C100 C 0.8555(2) 0.9712(4) 0.7611(3) 0.045(3) Uani 1 1 d . . . . .
H100 H 0.8436 0.9893 0.7392 0.054 Uiso 1 1 calc R U . . .
C101 C 0.88717(18) 0.9347(3) 0.8642(3) 0.0257(19) Uani 1 1 d . . . . .
C102 C 0.8765(2) 0.9456(3) 0.8212(3) 0.032(2) Uani 1 1 d . . . . .
C103 C 0.9909(3) 0.8628(8) 0.8205(5) 0.119(4) Uani 1 1 d . . . . .
H10C H 0.9948 0.8334 0.8393 0.142 Uiso 1 1 calc R U . . .
H10D H 0.9829 0.8482 0.7936 0.142 Uiso 1 1 calc R U . . .
C104 C 1.0204(3) 0.8864(8) 0.8205(5) 0.119(4) Uani 1 1 d . . . . .
H10E H 1.0271 0.9081 0.8446 0.142 Uiso 1 1 calc R U . . .
H10F H 1.0184 0.9087 0.7968 0.142 Uiso 1 1 calc R U . . .
C105 C 1.0449(3) 0.8412(7) 0.8200(5) 0.119(4) Uani 1 1 d . . . . .
H10G H 1.0350 0.8106 0.8064 0.178 Uiso 1 1 calc R U . . .
H10H H 1.0550 0.8321 0.8474 0.178 Uiso 1 1 calc R U . . .
H10I H 1.0594 0.8538 0.8059 0.178 Uiso 1 1 calc R U . . .
C106 C 0.9755(3) 0.9344(7) 0.8789(5) 0.127(8) Uani 1 1 d D . . . .
H10J H 0.9864 0.9648 0.8729 0.152 Uiso 1 1 calc R U . . .
H10K H 0.9586 0.9474 0.8888 0.152 Uiso 1 1 calc R U . . .
C107 C 0.9951(5) 0.9060(7) 0.9117(4) 0.148(10) Uani 1 1 d D . . . .
H10L H 1.0126 0.8953 0.9023 0.178 Uiso 1 1 calc R U . . .
H10M H 0.9847 0.8741 0.9160 0.178 Uiso 1 1 calc R U . . .
C108 C 1.0066(5) 0.9317(6) 0.9528(4) 0.153(10) Uani 1 1 d D . . . .
H10N H 0.9898 0.9401 0.9641 0.230 Uiso 1 1 calc R U . . .
H10O H 1.0173 0.9633 0.9497 0.230 Uiso 1 1 calc R U . . .
H10P H 1.0199 0.9079 0.9706 0.230 Uiso 1 1 calc R U . . .
C109 C 0.9593(4) 0.9547(6) 0.7927(7) 0.143(9) Uani 1 1 d D . . . .
H10Q H 0.9799 0.9631 0.7920 0.172 Uiso 1 1 calc R U . . .
H10R H 0.9496 0.9399 0.7664 0.172 Uiso 1 1 calc R U . . .
C110 C 0.9443(4) 1.0029(7) 0.7975(6) 0.140(9) Uani 1 1 d D . . . .
H11C H 0.9502 1.0140 0.8257 0.168 Uiso 1 1 calc R U . . .
H11D H 0.9227 0.9972 0.7905 0.168 Uiso 1 1 calc R U . . .
C111 C 0.9519(4) 1.0456(6) 0.7710(5) 0.117(7) Uani 1 1 d D . . . .
H11E H 0.9479 1.0335 0.7434 0.175 Uiso 1 1 calc R U . . .
H11F H 0.9728 1.0545 0.7802 0.175 Uiso 1 1 calc R U . . .
H11G H 0.9399 1.0762 0.7724 0.175 Uiso 1 1 calc R U . . .
C112 C 0.8805(2) 0.7275(3) 0.8100(3) 0.048(3) Uani 1 1 d . . . . .
H11H H 0.8925 0.7236 0.7902 0.057 Uiso 1 1 calc R U . . .
H11I H 0.8930 0.7168 0.8362 0.057 Uiso 1 1 calc R U . . .
C113 C 0.8539(3) 0.6894(4) 0.7986(4) 0.063(4) Uani 1 1 d . . . . .
H11J H 0.8431 0.6956 0.7706 0.076 Uiso 1 1 calc R U . . .
H11K H 0.8401 0.6961 0.8157 0.076 Uiso 1 1 calc R U . . .
C114 C 0.8642(3) 0.6321(4) 0.8034(5) 0.094(6) Uani 1 1 d . . . . .
H11L H 0.8714 0.6240 0.8318 0.141 Uiso 1 1 calc R U . . .
H11M H 0.8801 0.6267 0.7899 0.141 Uiso 1 1 calc R U . . .
H11N H 0.8475 0.6094 0.7917 0.141 Uiso 1 1 calc R U . . .
C115 C 0.8415(3) 0.8069(4) 0.7673(5) 0.078(5) Uani 1 1 d . . . . .
H11O H 0.8238 0.7879 0.7705 0.094 Uiso 1 1 calc R U . . .
H11P H 0.8364 0.8440 0.7658 0.094 Uiso 1 1 calc R U . . .
C116 C 0.8476(4) 0.7909(5) 0.7274(5) 0.099(6) Uani 1 1 d . . . . .
H11Q H 0.8601 0.7597 0.7314 0.118 Uiso 1 1 calc R U . . .
H11R H 0.8585 0.8188 0.7178 0.118 Uiso 1 1 calc R U . . .
C117 C 0.8177(4) 0.7793(6) 0.6946(5) 0.134(8) Uani 1 1 d . . . . .
H11S H 0.8214 0.7816 0.6680 0.201 Uiso 1 1 calc R U . . .
H11T H 0.8027 0.8047 0.6969 0.201 Uiso 1 1 calc R U . . .
H11U H 0.8107 0.7446 0.6987 0.201 Uiso 1 1 calc R U . . .
C118 C 0.8561(4) 0.7904(7) 0.8597(7) 0.167(6) Uani 1 1 d D . . . .
H11V H 0.8460 0.7566 0.8582 0.201 Uiso 1 1 calc R U . . .
H11W H 0.8732 0.7891 0.8831 0.201 Uiso 1 1 calc R U . . .
C119 C 0.8362(4) 0.8289(7) 0.8673(6) 0.167(6) Uani 1 1 d D . . . .
H11X H 0.8177 0.8282 0.8461 0.201 Uiso 1 1 calc R U . . .
H11Y H 0.8452 0.8635 0.8676 0.201 Uiso 1 1 calc R U . . .
C120 C 0.8293(4) 0.8172(7) 0.9095(6) 0.167(6) Uani 1 1 d D . . . .
H12D H 0.8465 0.8264 0.9309 0.251 Uiso 1 1 calc R U . . .
H12E H 0.8249 0.7805 0.9113 0.251 Uiso 1 1 calc R U . . .
H12F H 0.8123 0.8377 0.9122 0.251 Uiso 1 1 calc R U . . .
C121 C 0.8468(2) 0.1095(4) 0.9588(3) 0.041(2) Uani 1 1 d . . . . .
H121 H 0.8474 0.1274 0.9828 0.049 Uiso 1 1 calc R U . . .
C122 C 0.8601(2) 0.0617(4) 0.9548(3) 0.037(2) Uani 1 1 d . . . . .
H122 H 0.8709 0.0418 0.9765 0.045 Uiso 1 1 calc R U . . .
C123 C 0.8005(2) 0.1440(3) 0.8024(3) 0.038(2) Uani 1 1 d . . . . .
H123 H 0.7893 0.1708 0.7872 0.045 Uiso 1 1 calc R U . . .
C124 C 0.8109(2) 0.0995(4) 0.7868(3) 0.038(2) Uani 1 1 d . . . . .
H124 H 0.8076 0.0909 0.7595 0.046 Uiso 1 1 calc R U . . .
C125 C 0.83858(19) 0.0875(3) 0.8951(3) 0.028(2) Uani 1 1 d . . . . .
C126 C 0.82548(19) 0.0972(3) 0.8531(3) 0.029(2) Uani 1 1 d . . . . .
C127 C 0.8607(3) 0.2361(4) 0.8407(3) 0.053(3) Uani 1 1 d . . . . .
H12G H 0.8421 0.2396 0.8198 0.064 Uiso 1 1 calc R U . . .
H12H H 0.8726 0.2673 0.8392 0.064 Uiso 1 1 calc R U . . .
C128 C 0.8775(3) 0.1894(4) 0.8299(4) 0.060(3) Uani 1 1 d . . . . .
H12I H 0.8961 0.1853 0.8506 0.072 Uiso 1 1 calc R U . . .
H12J H 0.8655 0.1580 0.8303 0.072 Uiso 1 1 calc R U . . .
C129 C 0.8848(4) 0.1928(5) 0.7897(5) 0.108(6) Uani 1 1 d . . . . .
H12K H 0.8963 0.2242 0.7886 0.163 Uiso 1 1 calc R U . . .
H12L H 0.8665 0.1939 0.7686 0.163 Uiso 1 1 calc R U . . .
H12M H 0.8964 0.1626 0.7859 0.163 Uiso 1 1 calc R U . . .
C130 C 0.8865(2) 0.2163(4) 0.9244(4) 0.053(3) Uani 1 1 d . . . . .
H13C H 0.8889 0.1787 0.9214 0.063 Uiso 1 1 calc R U . . .
H13D H 0.9030 0.2334 0.9160 0.063 Uiso 1 1 calc R U . . .
C131 C 0.8898(3) 0.2280(5) 0.9689(4) 0.070(4) Uani 1 1 d . . . . .
H13E H 0.8722 0.2149 0.9770 0.084 Uiso 1 1 calc R U . . .
H13F H 0.8907 0.2658 0.9731 0.084 Uiso 1 1 calc R U . . .
C132 C 0.9180(3) 0.2026(6) 0.9952(4) 0.100(6) Uani 1 1 d . . . . .
H13G H 0.9353 0.2142 0.9863 0.150 Uiso 1 1 calc R U . . .
H13H H 0.9163 0.1650 0.9928 0.150 Uiso 1 1 calc R U . . .
H13I H 0.9201 0.2125 1.0230 0.150 Uiso 1 1 calc R U . . .
C133 C 0.8470(2) 0.3067(4) 0.8997(3) 0.048(3) Uani 1 1 d . . . . .
H13J H 0.8293 0.3196 0.8801 0.058 Uiso 1 1 calc R U . . .
H13K H 0.8430 0.3099 0.9264 0.058 Uiso 1 1 calc R U . . .
C134 C 0.8731(3) 0.3427(4) 0.8984(4) 0.059(3) Uani 1 1 d . . . . .
H13L H 0.8762 0.3425 0.8711 0.071 Uiso 1 1 calc R U . . .
H13M H 0.8912 0.3290 0.9166 0.071 Uiso 1 1 calc R U . . .
C135 C 0.8684(3) 0.3981(4) 0.9103(4) 0.077(4) Uani 1 1 d . . . . .
H13N H 0.8639 0.3984 0.9365 0.115 Uiso 1 1 calc R U . . .
H13O H 0.8519 0.4134 0.8905 0.115 Uiso 1 1 calc R U . . .
H13P H 0.8863 0.4182 0.9114 0.115 Uiso 1 1 calc R U . . .
C136 C 0.7662(3) 0.1015(5) 0.9424(4) 0.086(3) Uani 1 1 d . . . . .
H13Q H 0.7809 0.1166 0.9651 0.103 Uiso 1 1 calc R U . . .
H13R H 0.7472 0.0997 0.9503 0.103 Uiso 1 1 calc R U . . .
C137 C 0.7750(3) 0.0509(5) 0.9371(4) 0.086(3) Uani 1 1 d . . . . .
H13S H 0.7938 0.0516 0.9286 0.103 Uiso 1 1 calc R U . . .
H13T H 0.7599 0.0340 0.9158 0.103 Uiso 1 1 calc R U . . .
C138 C 0.7795(3) 0.0183(5) 0.9769(4) 0.086(3) Uani 1 1 d . . . . .
H13U H 0.7602 0.0097 0.9816 0.129 Uiso 1 1 calc R U . . .
H13V H 0.7908 0.0385 0.9993 0.129 Uiso 1 1 calc R U . . .
H13W H 0.7902 -0.0136 0.9744 0.129 Uiso 1 1 calc R U . . .
C139 C 0.7410(2) 0.1115(4) 0.8548(3) 0.044(3) Uani 1 1 d . . . . .
H13X H 0.7550 0.0877 0.8465 0.052 Uiso 1 1 calc R U . . .
H13Y H 0.7257 0.0902 0.8625 0.052 Uiso 1 1 calc R U . . .
C140 C 0.7260(2) 0.1452(4) 0.8187(3) 0.043(2) Uani 1 1 d . . . . .
H14C H 0.7404 0.1710 0.8138 0.051 Uiso 1 1 calc R U . . .
H14D H 0.7093 0.1641 0.8250 0.051 Uiso 1 1 calc R U . . .
C141 C 0.7144(3) 0.1129(4) 0.7801(3) 0.064(4) Uani 1 1 d . . . . .
H14E H 0.7008 0.0862 0.7851 0.096 Uiso 1 1 calc R U . . .
H14F H 0.7311 0.0965 0.7723 0.096 Uiso 1 1 calc R U . . .
H14G H 0.7040 0.1355 0.7586 0.096 Uiso 1 1 calc R U . . .
C142 C 0.7342(2) 0.1953(4) 0.9105(3) 0.050(3) Uani 1 1 d . . . . .
H14H H 0.7436 0.2123 0.9360 0.060 Uiso 1 1 calc R U . . .
H14I H 0.7308 0.2222 0.8896 0.060 Uiso 1 1 calc R U . . .
C143 C 0.7040(3) 0.1751(6) 0.9137(4) 0.083(4) Uani 1 1 d . . . . .
H14J H 0.7071 0.1468 0.9336 0.099 Uiso 1 1 calc R U . . .
H14K H 0.6936 0.1604 0.8877 0.099 Uiso 1 1 calc R U . . .
C144 C 0.6841(3) 0.2167(7) 0.9259(5) 0.113(6) Uani 1 1 d . . . . .
H14L H 0.6812 0.2452 0.9068 0.170 Uiso 1 1 calc R U . . .
H14M H 0.6936 0.2297 0.9525 0.170 Uiso 1 1 calc R U . . .
H14N H 0.6649 0.2015 0.9262 0.170 Uiso 1 1 calc R U . . .
Cl1 Cl 0.83522(5) 0.49644(9) 0.70300(7) 0.0379(5) Uani 1 1 d . . . . .
Cl2 Cl 0.80665(5) 0.50841(8) 0.59732(7) 0.0344(5) Uani 1 1 d . . . . .
Cl3 Cl 0.96729(6) 0.03884(9) 0.64516(8) 0.0479(7) Uani 1 1 d . . . . .
Cl4 Cl 0.94185(6) 0.05348(10) 0.53602(9) 0.0549(7) Uani 1 1 d . . . . .
Cl5 Cl 1.01890(5) 0.53934(9) 0.94398(8) 0.0410(6) Uani 1 1 d . . . . .
Cl6 Cl 1.00480(5) 0.50990(10) 0.83826(8) 0.0442(6) Uani 1 1 d . . . . .
Cl7 Cl 0.72435(5) 0.55434(9) 0.93172(7) 0.0373(5) Uani 1 1 d . . . . .
Cl8 Cl 0.70600(5) 0.54892(10) 0.82351(7) 0.0396(6) Uani 1 1 d . . . . .
Cl9 Cl 0.94211(6) 0.78743(9) 0.86880(9) 0.0503(7) Uani 1 1 d . . . . .
Cl10 Cl 0.92342(7) 0.81925(11) 0.76337(9) 0.0570(7) Uani 1 1 d . . . . .
Cl11 Cl 0.80800(6) 0.23097(9) 0.95555(8) 0.0443(6) Uani 1 1 d . . . . .
Cl12 Cl 0.77894(6) 0.25482(8) 0.85027(7) 0.0401(6) Uani 1 1 d . . . . .
N1 N 0.84371(15) 0.4015(3) 0.5974(2) 0.0267(16) Uani 1 1 d . . . . .
N2 N 0.86123(16) 0.3257(3) 0.5766(2) 0.0283(16) Uani 1 1 d . . . . .
N3 N 0.86391(15) 0.3893(3) 0.6749(2) 0.0270(16) Uani 1 1 d . . . . .
N4 N 0.88608(16) 0.3110(3) 0.6738(2) 0.0327(18) Uani 1 1 d . . . . .
H4A H 0.8925 0.2826 0.6650 0.039 Uiso 1 1 calc R U . . .
N5 N 0.93338(16) 0.1470(3) 0.6422(2) 0.0317(17) Uani 1 1 d . . . . .
N6 N 0.91384(17) 0.2199(3) 0.6622(2) 0.0332(18) Uani 1 1 d . . . . .
N7 N 0.91519(16) 0.1605(3) 0.5645(2) 0.0326(18) Uani 1 1 d . . . . .
N8 N 0.89042(17) 0.2357(3) 0.5643(2) 0.0371(19) Uani 1 1 d . . . . .
H8N H 0.8827 0.2633 0.5724 0.045 Uiso 1 1 calc R U . . .
N9 N 0.94758(14) 0.5287(2) 0.9250(2) 0.0253(16) Uani 1 1 d . . . . .
N10 N 0.90123(16) 0.5253(3) 0.9342(2) 0.0293(17) Uani 1 1 d . . . . .
H10 H 0.8819 0.5225 0.9293 0.035 Uiso 1 1 calc R U . . .
N11 N 0.93554(16) 0.5130(3) 0.8482(2) 0.0330(18) Uani 1 1 d . . . . .
N12 N 0.88499(16) 0.5058(3) 0.8367(2) 0.0316(18) Uani 1 1 d . . . . .
N13 N 0.79047(16) 0.5323(3) 0.9192(2) 0.0302(17) Uani 1 1 d . . . . .
N14 N 0.84023(17) 0.5179(3) 0.9317(2) 0.039(2) Uani 1 1 d . . . . .
N15 N 0.77781(14) 0.5265(3) 0.8410(2) 0.0228(15) Uani 1 1 d . . . . .
N16 N 0.82315(16) 0.5104(3) 0.8327(2) 0.0277(16) Uani 1 1 d . . . . .
H16N H 0.8423 0.5051 0.8382 0.033 Uiso 1 1 calc R U . . .
N17 N 0.90519(16) 0.8918(3) 0.8730(2) 0.0321(18) Uani 1 1 d . . . . .
N18 N 0.88292(17) 0.9579(3) 0.8973(2) 0.0365(19) Uani 1 1 d . . . . .
H18N H 0.8722 0.9855 0.8983 0.044 Uiso 1 1 calc R U . . .
N19 N 0.88745(16) 0.9132(3) 0.7969(2) 0.0320(18) Uani 1 1 d . . . . .
N20 N 0.85716(17) 0.9821(3) 0.8010(2) 0.0362(19) Uani 1 1 d . . . . .
N21 N 0.83258(16) 0.1256(3) 0.9202(2) 0.0314(17) Uani 1 1 d . . . . .
N22 N 0.85514(16) 0.0477(3) 0.9150(2) 0.0328(18) Uani 1 1 d . . . . .
N23 N 0.80962(15) 0.1422(3) 0.8440(2) 0.0271(16) Uani 1 1 d . . . . .
N24 N 0.82676(17) 0.0701(3) 0.8189(2) 0.0342(18) Uani 1 1 d . . . . .
H24N H 0.8357 0.0406 0.8176 0.041 Uiso 1 1 calc R U . . .
Os1 Os 0.83757(2) 0.44989(2) 0.64368(2) 0.02532(8) Uani 1 1 d . . . . .
Os2 Os 0.93979(2) 0.09835(2) 0.59636(2) 0.03570(10) Uani 1 1 d . . . . .
Os3 Os 0.97748(2) 0.52329(2) 0.88818(2) 0.02945(9) Uani 1 1 d . . . . .
Os4 Os 0.74886(2) 0.54081(2) 0.87879(2) 0.02468(8) Uani 1 1 d . . . . .
Os5 Os 0.91487(2) 0.85210(2) 0.82440(2) 0.03528(10) Uani 1 1 d . . . . .
Os6 Os 0.80704(2) 0.18906(2) 0.89310(2) 0.02869(9) Uani 1 1 d . . . . .
P1 P 0.88090(5) 0.49990(9) 0.63866(7) 0.0295(5) Uani 1 1 d . . . . .
P2 P 0.79357(5) 0.40161(9) 0.64834(8) 0.0344(6) Uani 1 1 d . . . . .
P3 P 0.98707(6) 0.13845(11) 0.59722(9) 0.0440(7) Uani 1 1 d . . . . .
P4 P 0.89429(6) 0.05128(10) 0.59646(9) 0.0423(7) Uani 1 1 d . . . . .
P5 P 0.98439(5) 0.43157(9) 0.90271(8) 0.0336(6) Uani 1 1 d . . . . .
P6 P 0.97461(6) 0.61464(10) 0.87195(10) 0.0500(8) Uani 1 1 d . . . . .
P7 P 0.73847(7) 0.44944(10) 0.88432(8) 0.0444(7) Uani 1 1 d . . . . .
P8 P 0.75538(6) 0.63441(9) 0.87596(8) 0.0348(6) Uani 1 1 d . . . . .
P9 P 0.96064(6) 0.90133(11) 0.83295(11) 0.0543(8) Uani 1 1 d . . . . .
P10 P 0.87149(6) 0.79638(10) 0.81293(9) 0.0438(7) Uani 1 1 d . . . . .
P11 P 0.85123(6) 0.23660(9) 0.88955(8) 0.0372(6) Uani 1 1 d . . . . .
P12 P 0.76123(6) 0.14813(9) 0.89907(8) 0.0348(6) Uani 1 1 d . . . . .


_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
C1 C2 1.372(12) . ?
C1 N3 1.372(10) . ?
C1 H1 0.9300 . ?
C2 N4 1.361(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(12) . ?
C3 N1 1.383(10) . ?
C3 H3 0.9300 . ?
C4 N2 1.394(11) . ?
C4 H4 0.9300 . ?
C5 N4 1.337(10) . ?
C5 N3 1.349(10) . ?
C5 C6 1.434(11) . ?
C6 N1 1.362(9) . ?
C6 N2 1.356(10) . ?
C7 C8 1.538(13) . ?
C7 P1 1.826(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.499(13) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.491(13) . ?
C10 P1 1.842(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.493(14) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.535(12) . ?
C13 P1 1.830(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.520(14) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.530(13) . ?
C16 P2 1.815(9) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.505(15) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.523(14) . ?
C19 P2 1.815(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.530(15) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.492(16) . ?
C22 P2 1.841(10) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.562(16) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.367(12) . ?
C25 N5 1.369(11) . ?
C25 H25 0.9300 . ?
C26 N6 1.377(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.358(12) . ?
C27 N7 1.366(11) . ?
C27 H27 0.9300 . ?
C28 N8 1.365(12) . ?
C28 H28 0.9300 . ?
C29 N5 1.352(10) . ?
C29 N6 1.336(11) . ?
C29 C30 1.430(12) . ?
C30 N7 1.366(10) . ?
C30 N8 1.335(10) . ?
C31 C32 1.522(15) . ?
C31 P3 1.822(12) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.510(16) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.491(16) . ?
C34 P3 1.839(11) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.536(16) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.501(16) . ?
C37 P3 1.830(11) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.512(15) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 C41 1.441(16) . ?
C40 P4 1.777(16) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.496(14) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.444(14) . ?
C43 P4 1.795(17) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.505(15) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.460(15) . ?
C46 P4 1.820(19) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C48 1.625(15) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 C50 1.355(13) . ?
C49 N9 1.370(11) . ?
C49 H49 0.9300 . ?
C50 N10 1.370(10) . ?
C50 H50 0.9300 . ?
C51 C52 1.360(12) . ?
C51 N11 1.383(11) . ?
C51 H51 0.9300 . ?
C52 N12 1.379(12) . ?
C52 H52 0.9300 . ?
C53 N10 1.351(11) . ?
C53 N9 1.334(10) . ?
C53 C54 1.414(12) . ?
C54 N11 1.363(11) . ?
C54 N12 1.351(10) . ?
C55 C56 1.533(12) . ?
C55 P5 1.807(10) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.499(14) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 C59 1.489(14) . ?
C58 P5 1.839(10) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.545(14) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 C62 1.441(15) . ?
C61 P5 1.859(10) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 C63 1.496(17) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 C65 1.449(15) . ?
C64 P6 1.778(13) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 C66 1.603(13) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 C68 1.403(19) . ?
C67 P6 1.984(15) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C68 C69 1.466(19) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 C71 1.432(14) . ?
C70 P6 1.855(17) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 C72 1.594(15) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 C74 1.327(13) . ?
C73 N13 1.366(11) . ?
C73 H73 0.9300 . ?
C74 N14 1.371(12) . ?
C74 H74 0.9300 . ?
C75 C76 1.365(12) . ?
C75 N15 1.376(11) . ?
C75 H75 0.9300 . ?
C76 N16 1.354(10) . ?
C76 H76 0.9300 . ?
C77 N14 1.337(10) . ?
C77 N13 1.357(11) . ?
C77 C78 1.429(11) . ?
C78 N15 1.339(10) . ?
C78 N16 1.340(10) . ?
C79 C80 1.522(14) . ?
C79 P7 1.847(10) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 C81 1.490(15) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 C83 1.486(16) . ?
C82 P7 1.793(12) . ?
C82 H82A 0.9700 . ?
C82 H82B 0.9700 . ?
C83 C84 1.590(16) . ?
C83 H83A 0.9700 . ?
C83 H83B 0.9700 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 C86 1.525(17) . ?
C85 P7 1.839(15) . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C86 C87 1.58(2) . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 C89 1.512(13) . ?
C88 P8 1.828(10) . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C89 C90 1.508(14) . ?
C89 H89A 0.9700 . ?
C89 H89B 0.9700 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 C92 1.495(16) . ?
C91 P8 1.819(11) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C92 C93 1.556(16) . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C94 C95 1.516(15) . ?
C94 P8 1.860(10) . ?
C94 H94A 0.9700 . ?
C94 H94B 0.9700 . ?
C95 C96 1.523(15) . ?
C95 H95A 0.9700 . ?
C95 H95B 0.9700 . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C97 N17 1.363(12) . ?
C97 C98 1.365(13) . ?
C97 H97 0.9300 . ?
C98 N18 1.350(11) . ?
C98 H98 0.9300 . ?
C99 C100 1.375(13) . ?
C99 N19 1.382(12) . ?
C99 H99 0.9300 . ?
C100 N20 1.367(12) . ?
C100 H100 0.9300 . ?
C101 N18 1.324(11) . ?
C101 N17 1.356(10) . ?
C101 C102 1.448(12) . ?
C102 N20 1.349(11) . ?
C102 N19 1.345(11) . ?
C103 C104 1.48(2) . ?
C103 P9 1.827(16) . ?
C103 H10C 0.9700 . ?
C103 H10D 0.9700 . ?
C104 C105 1.61(2) . ?
C104 H10E 0.9700 . ?
C104 H10F 0.9700 . ?
C105 H10G 0.9600 . ?
C105 H10H 0.9600 . ?
C105 H10I 0.9600 . ?
C106 C107 1.442(15) . ?
C106 P9 1.755(13) . ?
C106 H10J 0.9700 . ?
C106 H10K 0.9700 . ?
C107 C108 1.512(14) . ?
C107 H10L 0.9700 . ?
C107 H10M 0.9700 . ?
C108 H10N 0.9600 . ?
C108 H10O 0.9600 . ?
C108 H10P 0.9600 . ?
C109 C110 1.435(16) . ?
C109 P9 1.91(2) . ?
C109 H10Q 0.9700 . ?
C109 H10R 0.9700 . ?
C110 C111 1.505(14) . ?
C110 H11C 0.9700 . ?
C110 H11D 0.9700 . ?
C111 H11E 0.9600 . ?
C111 H11F 0.9600 . ?
C111 H11G 0.9600 . ?
C112 C113 1.529(13) . ?
C112 P10 1.807(9) . ?
C112 H11H 0.9700 . ?
C112 H11I 0.9700 . ?
C113 C114 1.528(15) . ?
C113 H11J 0.9700 . ?
C113 H11K 0.9700 . ?
C114 H11L 0.9600 . ?
C114 H11M 0.9600 . ?
C114 H11N 0.9600 . ?
C115 C116 1.50(2) . ?
C115 P10 1.822(12) . ?
C115 H11O 0.9700 . ?
C115 H11P 0.9700 . ?
C116 C117 1.567(17) . ?
C116 H11Q 0.9700 . ?
C116 H11R 0.9700 . ?
C117 H11S 0.9600 . ?
C117 H11T 0.9600 . ?
C117 H11U 0.9600 . ?
C118 C119 1.404(16) . ?
C118 P10 1.891(19) . ?
C118 H11V 0.9700 . ?
C118 H11W 0.9700 . ?
C119 C120 1.566(16) . ?
C119 H11X 0.9700 . ?
C119 H11Y 0.9700 . ?
C120 H12D 0.9600 . ?
C120 H12E 0.9600 . ?
C120 H12F 0.9600 . ?
C121 C122 1.378(13) . ?
C121 N21 1.374(11) . ?
C121 H121 0.9300 . ?
C122 N22 1.362(11) . ?
C122 H122 0.9300 . ?
C123 N23 1.371(11) . ?
C123 C124 1.381(12) . ?
C123 H123 0.9300 . ?
C124 N24 1.372(11) . ?
C124 H124 0.9300 . ?
C125 N22 1.344(10) . ?
C125 N21 1.361(11) . ?
C125 C126 1.424(11) . ?
C126 N23 1.349(10) . ?
C126 N24 1.364(11) . ?
C127 C128 1.508(14) . ?
C127 P11 1.813(11) . ?
C127 H12G 0.9700 . ?
C127 H12H 0.9700 . ?
C128 C129 1.485(16) . ?
C128 H12I 0.9700 . ?
C128 H12J 0.9700 . ?
C129 H12K 0.9600 . ?
C129 H12L 0.9600 . ?
C129 H12M 0.9600 . ?
C130 C131 1.510(16) . ?
C130 P11 1.828(10) . ?
C130 H13C 0.9700 . ?
C130 H13D 0.9700 . ?
C131 C132 1.524(17) . ?
C131 H13E 0.9700 . ?
C131 H13F 0.9700 . ?
C132 H13G 0.9600 . ?
C132 H13H 0.9600 . ?
C132 H13I 0.9600 . ?
C133 C134 1.512(14) . ?
C133 P11 1.834(10) . ?
C133 H13J 0.9700 . ?
C133 H13K 0.9700 . ?
C134 C135 1.495(14) . ?
C134 H13L 0.9700 . ?
C134 H13M 0.9700 . ?
C135 H13N 0.9600 . ?
C135 H13O 0.9600 . ?
C135 H13P 0.9600 . ?
C136 C137 1.373(17) . ?
C136 P12 1.858(12) . ?
C136 H13Q 0.9700 . ?
C136 H13R 0.9700 . ?
C137 C138 1.555(16) . ?
C137 H13S 0.9700 . ?
C137 H13T 0.9700 . ?
C138 H13U 0.9600 . ?
C138 H13V 0.9600 . ?
C138 H13W 0.9600 . ?
C139 C140 1.514(13) . ?
C139 P12 1.818(9) . ?
C139 H13X 0.9700 . ?
C139 H13Y 0.9700 . ?
C140 C141 1.528(13) . ?
C140 H14C 0.9700 . ?
C140 H14D 0.9700 . ?
C141 H14E 0.9600 . ?
C141 H14F 0.9600 . ?
C141 H14G 0.9600 . ?
C142 C143 1.504(15) . ?
C142 P12 1.830(11) . ?
C142 H14H 0.9700 . ?
C142 H14I 0.9700 . ?
C143 C144 1.518(18) . ?
C143 H14J 0.9700 . ?
C143 H14K 0.9700 . ?
C144 H14L 0.9600 . ?
C144 H14M 0.9600 . ?
C144 H14N 0.9600 . ?
Cl1 Os1 2.360(2) . ?
Cl2 Os1 2.367(2) . ?
Cl3 Os2 2.366(2) . ?
Cl4 Os2 2.365(3) . ?
Cl5 Os3 2.366(2) . ?
Cl6 Os3 2.362(3) . ?
Cl7 Os4 2.363(2) . ?
Cl8 Os4 2.370(2) . ?
Cl9 Os5 2.368(2) . ?
Cl10 Os5 2.352(3) . ?
Cl11 Os6 2.362(2) . ?
Cl12 Os6 2.376(2) . ?
N1 Os1 2.067(7) . ?
N3 Os1 2.078(6) . ?
N4 H4A 0.8600 . ?
N5 Os2 2.064(7) . ?
N7 Os2 2.082(7) . ?
N8 H8N 0.8600 . ?
N9 Os3 2.070(7) . ?
N10 H10 0.8600 . ?
N11 Os3 2.080(7) . ?
N13 Os4 2.069(7) . ?
N15 Os4 2.089(7) . ?
N16 H16N 0.8600 . ?
N17 Os5 2.072(8) . ?
N18 H18N 0.8600 . ?
N19 Os5 2.070(7) . ?
N21 Os6 2.071(7) . ?
N23 Os6 2.074(7) . ?
N24 H24N 0.8600 . ?
Os1 P2 2.396(2) . ?
Os1 P1 2.396(2) . ?
Os2 P3 2.385(3) . ?
Os2 P4 2.402(3) . ?
Os3 P6 2.382(3) . ?
Os3 P5 2.387(2) . ?
Os4 P7 2.386(3) . ?
Os4 P8 2.402(2) . ?
Os5 P10 2.392(3) . ?
Os5 P9 2.396(3) . ?
Os6 P11 2.384(3) . ?
Os6 P12 2.393(3) . ?

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
C2 C1 N3 107.4(8) . . ?
C2 C1 H1 126.3 . . ?
N3 C1 H1 126.3 . . ?
C1 C2 N4 109.6(7) . . ?
C1 C2 H2 125.2 . . ?
N4 C2 H2 125.2 . . ?
C4 C3 N1 108.5(8) . . ?
C4 C3 H3 125.7 . . ?
N1 C3 H3 125.7 . . ?
C3 C4 N2 109.6(8) . . ?
C3 C4 H4 125.2 . . ?
N2 C4 H4 125.2 . . ?
N4 C5 N3 113.0(7) . . ?
N4 C5 C6 131.1(8) . . ?
N3 C5 C6 115.9(7) . . ?
N1 C6 N2 112.8(7) . . ?
N1 C6 C5 114.4(7) . . ?
N2 C6 C5 132.9(7) . . ?
C8 C7 P1 114.9(7) . . ?
C8 C7 H7A 108.6 . . ?
P1 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
P1 C7 H7B 108.6 . . ?
H7A C7 H7B 107.5 . . ?
C9 C8 C7 113.3(9) . . ?
C9 C8 H8A 108.9 . . ?
C7 C8 H8A 108.9 . . ?
C9 C8 H8B 108.9 . . ?
C7 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 P1 118.5(7) . . ?
C11 C10 H10A 107.7 . . ?
P1 C10 H10A 107.7 . . ?
C11 C10 H10B 107.7 . . ?
P1 C10 H10B 107.7 . . ?
H10A C10 H10B 107.1 . . ?
C12 C11 C10 114.2(9) . . ?
C12 C11 H11A 108.7 . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11B 108.7 . . ?
C10 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 114.2(6) . . ?
C14 C13 H13A 108.7 . . ?
P1 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
P1 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 C15 111.8(9) . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
C15 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 P2 118.3(7) . . ?
C17 C16 H16A 107.7 . . ?
P2 C16 H16A 107.7 . . ?
C17 C16 H16B 107.7 . . ?
P2 C16 H16B 107.7 . . ?
H16A C16 H16B 107.1 . . ?
C18 C17 C16 112.0(10) . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
C16 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P2 116.5(7) . . ?
C20 C19 H19A 108.2 . . ?
P2 C19 H19A 108.2 . . ?
C20 C19 H19B 108.2 . . ?
P2 C19 H19B 108.2 . . ?
H19A C19 H19B 107.3 . . ?
C19 C20 C21 112.3(10) . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
C21 C20 H20B 109.1 . . ?
H20A C20 H20B 107.9 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 P2 115.8(8) . . ?
C23 C22 H22A 108.3 . . ?
P2 C22 H22A 108.3 . . ?
C23 C22 H22B 108.3 . . ?
P2 C22 H22B 108.3 . . ?
H22A C22 H22B 107.4 . . ?
C22 C23 C24 113.4(12) . . ?
C22 C23 H23A 108.9 . . ?
C24 C23 H23A 108.9 . . ?
C22 C23 H23B 108.9 . . ?
C24 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N5 108.3(8) . . ?
C26 C25 H25 125.8 . . ?
N5 C25 H25 125.8 . . ?
C25 C26 N6 108.4(8) . . ?
C25 C26 H26 125.8 . . ?
N6 C26 H26 125.8 . . ?
C28 C27 N7 108.3(8) . . ?
C28 C27 H27 125.8 . . ?
N7 C27 H27 125.8 . . ?
C27 C28 N8 108.5(9) . . ?
C27 C28 H28 125.7 . . ?
N8 C28 H28 125.7 . . ?
N5 C29 N6 112.3(8) . . ?
N5 C29 C30 115.5(8) . . ?
N6 C29 C30 132.1(8) . . ?
N7 C30 N8 110.7(8) . . ?
N7 C30 C29 114.9(7) . . ?
N8 C30 C29 134.4(8) . . ?
C32 C31 P3 114.3(8) . . ?
C32 C31 H31A 108.7 . . ?
P3 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
P3 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C31 C32 C33 113.7(10) . . ?
C31 C32 H32A 108.8 . . ?
C33 C32 H32A 108.8 . . ?
C31 C32 H32B 108.8 . . ?
C33 C32 H32B 108.8 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P3 116.6(8) . . ?
C35 C34 H34A 108.2 . . ?
P3 C34 H34A 108.2 . . ?
C35 C34 H34B 108.2 . . ?
P3 C34 H34B 108.2 . . ?
H34A C34 H34B 107.3 . . ?
C34 C35 C36 113.1(12) . . ?
C34 C35 H35A 109.0 . . ?
C36 C35 H35A 109.0 . . ?
C34 C35 H35B 109.0 . . ?
C36 C35 H35B 109.0 . . ?
H35A C35 H35B 107.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 P3 118.3(10) . . ?
C38 C37 H37A 107.7 . . ?
P3 C37 H37A 107.7 . . ?
C38 C37 H37B 107.7 . . ?
P3 C37 H37B 107.7 . . ?
H37A C37 H37B 107.1 . . ?
C37 C38 C39 113.5(11) . . ?
C37 C38 H38A 108.9 . . ?
C39 C38 H38A 108.9 . . ?
C37 C38 H38B 108.9 . . ?
C39 C38 H38B 108.9 . . ?
H38A C38 H38B 107.7 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 P4 125.6(15) . . ?
C41 C40 H40A 105.9 . . ?
P4 C40 H40A 105.9 . . ?
C41 C40 H40B 105.9 . . ?
P4 C40 H40B 105.9 . . ?
H40A C40 H40B 106.2 . . ?
C40 C41 C42 117.8(17) . . ?
C40 C41 H41A 107.8 . . ?
C42 C41 H41A 107.8 . . ?
C40 C41 H41B 107.8 . . ?
C42 C41 H41B 107.8 . . ?
H41A C41 H41B 107.2 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 P4 122.2(13) . . ?
C44 C43 H43A 106.8 . . ?
P4 C43 H43A 106.8 . . ?
C44 C43 H43B 106.8 . . ?
P4 C43 H43B 106.8 . . ?
H43A C43 H43B 106.6 . . ?
C43 C44 C45 121.4(15) . . ?
C43 C44 H44A 107.0 . . ?
C45 C44 H44A 107.0 . . ?
C43 C44 H44B 107.0 . . ?
C45 C44 H44B 107.0 . . ?
H44A C44 H44B 106.7 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 P4 105.1(13) . . ?
C47 C46 H46A 110.7 . . ?
P4 C46 H46A 110.7 . . ?
C47 C46 H46B 110.7 . . ?
P4 C46 H46B 110.7 . . ?
H46A C46 H46B 108.8 . . ?
C46 C47 C48 106.5(14) . . ?
C46 C47 H47A 110.4 . . ?
C48 C47 H47A 110.4 . . ?
C46 C47 H47B 110.4 . . ?
C48 C47 H47B 110.4 . . ?
H47A C47 H47B 108.6 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 N9 108.8(8) . . ?
C50 C49 H49 125.6 . . ?
N9 C49 H49 125.6 . . ?
C49 C50 N10 108.0(9) . . ?
C49 C50 H50 126.0 . . ?
N10 C50 H50 126.0 . . ?
C52 C51 N11 107.2(9) . . ?
C52 C51 H51 126.4 . . ?
N11 C51 H51 126.4 . . ?
C51 C52 N12 110.8(8) . . ?
C51 C52 H52 124.6 . . ?
N12 C52 H52 124.6 . . ?
N10 C53 N9 111.5(7) . . ?
N10 C53 C54 132.1(8) . . ?
N9 C53 C54 116.3(8) . . ?
N11 C54 N12 112.6(8) . . ?
N11 C54 C53 114.0(7) . . ?
N12 C54 C53 133.4(9) . . ?
C56 C55 P5 120.4(7) . . ?
C56 C55 H55A 107.2 . . ?
P5 C55 H55A 107.2 . . ?
C56 C55 H55B 107.2 . . ?
P5 C55 H55B 107.2 . . ?
H55A C55 H55B 106.8 . . ?
C57 C56 C55 112.3(8) . . ?
C57 C56 H56A 109.1 . . ?
C55 C56 H56A 109.1 . . ?
C57 C56 H56B 109.1 . . ?
C55 C56 H56B 109.1 . . ?
H56A C56 H56B 107.9 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 P5 114.6(8) . . ?
C59 C58 H58A 108.6 . . ?
P5 C58 H58A 108.6 . . ?
C59 C58 H58B 108.6 . . ?
P5 C58 H58B 108.6 . . ?
H58A C58 H58B 107.6 . . ?
C58 C59 C60 110.3(10) . . ?
C58 C59 H59A 109.6 . . ?
C60 C59 H59A 109.6 . . ?
C58 C59 H59B 109.6 . . ?
C60 C59 H59B 109.6 . . ?
H59A C59 H59B 108.1 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 P5 122.1(9) . . ?
C62 C61 H61A 106.8 . . ?
P5 C61 H61A 106.8 . . ?
C62 C61 H61B 106.8 . . ?
P5 C61 H61B 106.8 . . ?
H61A C61 H61B 106.6 . . ?
C61 C62 C63 112.8(13) . . ?
C61 C62 H62A 109.0 . . ?
C63 C62 H62A 109.0 . . ?
C61 C62 H62B 109.0 . . ?
C63 C62 H62B 109.0 . . ?
H62A C62 H62B 107.8 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 P6 119.8(11) . . ?
C65 C64 H64A 107.4 . . ?
P6 C64 H64A 107.4 . . ?
C65 C64 H64B 107.4 . . ?
P6 C64 H64B 107.4 . . ?
H64A C64 H64B 106.9 . . ?
C64 C65 C66 107.2(12) . . ?
C64 C65 H65A 110.3 . . ?
C66 C65 H65A 110.3 . . ?
C64 C65 H65B 110.3 . . ?
C66 C65 H65B 110.3 . . ?
H65A C65 H65B 108.5 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 P6 120.0(12) . . ?
C68 C67 H67A 107.3 . . ?
P6 C67 H67A 107.3 . . ?
C68 C67 H67B 107.3 . . ?
P6 C67 H67B 107.3 . . ?
H67A C67 H67B 106.9 . . ?
C67 C68 C69 109.1(14) . . ?
C67 C68 H68A 109.9 . . ?
C69 C68 H68A 109.9 . . ?
C67 C68 H68B 109.9 . . ?
C69 C68 H68B 109.9 . . ?
H68A C68 H68B 108.3 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 P6 107.8(11) . . ?
C71 C70 H70A 110.1 . . ?
P6 C70 H70A 110.1 . . ?
C71 C70 H70B 110.1 . . ?
P6 C70 H70B 110.1 . . ?
H70A C70 H70B 108.5 . . ?
C70 C71 C72 113.3(14) . . ?
C70 C71 H71A 108.9 . . ?
C72 C71 H71A 108.9 . . ?
C70 C71 H71B 108.9 . . ?
C72 C71 H71B 108.9 . . ?
H71A C71 H71B 107.7 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 N13 108.8(9) . . ?
C74 C73 H73 125.6 . . ?
N13 C73 H73 125.6 . . ?
C73 C74 N14 110.3(8) . . ?
C73 C74 H74 124.8 . . ?
N14 C74 H74 124.8 . . ?
C76 C75 N15 108.3(7) . . ?
C76 C75 H75 125.9 . . ?
N15 C75 H75 125.9 . . ?
N16 C76 C75 107.3(8) . . ?
N16 C76 H76 126.4 . . ?
C75 C76 H76 126.4 . . ?
N14 C77 N13 112.7(8) . . ?
N14 C77 C78 133.5(8) . . ?
N13 C77 C78 113.8(7) . . ?
N15 C78 N16 110.3(7) . . ?
N15 C78 C77 116.7(8) . . ?
N16 C78 C77 132.9(8) . . ?
C80 C79 P7 113.4(7) . . ?
C80 C79 H79A 108.9 . . ?
P7 C79 H79A 108.9 . . ?
C80 C79 H79B 108.9 . . ?
P7 C79 H79B 108.9 . . ?
H79A C79 H79B 107.7 . . ?
C81 C80 C79 110.7(11) . . ?
C81 C80 H80A 109.5 . . ?
C79 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 108.1 . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 P7 115.1(9) . . ?
C83 C82 H82A 108.5 . . ?
P7 C82 H82A 108.5 . . ?
C83 C82 H82B 108.5 . . ?
P7 C82 H82B 108.5 . . ?
H82A C82 H82B 107.5 . . ?
C82 C83 C84 110.9(11) . . ?
C82 C83 H83A 109.5 . . ?
C84 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
C84 C83 H83B 109.5 . . ?
H83A C83 H83B 108.1 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C86 C85 P7 117.5(12) . . ?
C86 C85 H85A 107.9 . . ?
P7 C85 H85A 107.9 . . ?
C86 C85 H85B 107.9 . . ?
P7 C85 H85B 107.9 . . ?
H85A C85 H85B 107.2 . . ?
C85 C86 C87 110.5(14) . . ?
C85 C86 H86A 109.5 . . ?
C87 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C87 C86 H86B 109.5 . . ?
H86A C86 H86B 108.1 . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C89 C88 P8 117.0(7) . . ?
C89 C88 H88A 108.0 . . ?
P8 C88 H88A 108.0 . . ?
C89 C88 H88B 108.0 . . ?
P8 C88 H88B 108.0 . . ?
H88A C88 H88B 107.3 . . ?
C88 C89 C90 113.0(9) . . ?
C88 C89 H89A 109.0 . . ?
C90 C89 H89A 109.0 . . ?
C88 C89 H89B 109.0 . . ?
C90 C89 H89B 109.0 . . ?
H89A C89 H89B 107.8 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 P8 115.5(8) . . ?
C92 C91 H91A 108.4 . . ?
P8 C91 H91A 108.4 . . ?
C92 C91 H91B 108.4 . . ?
P8 C91 H91B 108.4 . . ?
H91A C91 H91B 107.5 . . ?
C91 C92 C93 112.2(12) . . ?
C91 C92 H92A 109.2 . . ?
C93 C92 H92A 109.2 . . ?
C91 C92 H92B 109.2 . . ?
C93 C92 H92B 109.2 . . ?
H92A C92 H92B 107.9 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C94 P8 115.4(7) . . ?
C95 C94 H94A 108.4 . . ?
P8 C94 H94A 108.4 . . ?
C95 C94 H94B 108.4 . . ?
P8 C94 H94B 108.4 . . ?
H94A C94 H94B 107.5 . . ?
C94 C95 C96 112.9(11) . . ?
C94 C95 H95A 109.0 . . ?
C96 C95 H95A 109.0 . . ?
C94 C95 H95B 109.0 . . ?
C96 C95 H95B 109.0 . . ?
H95A C95 H95B 107.8 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N17 C97 C98 108.9(8) . . ?
N17 C97 H97 125.5 . . ?
C98 C97 H97 125.5 . . ?
N18 C98 C97 108.1(9) . . ?
N18 C98 H98 126.0 . . ?
C97 C98 H98 126.0 . . ?
C100 C99 N19 107.2(9) . . ?
C100 C99 H99 126.4 . . ?
N19 C99 H99 126.4 . . ?
N20 C100 C99 110.3(9) . . ?
N20 C100 H100 124.8 . . ?
C99 C100 H100 124.8 . . ?
N18 C101 N17 112.3(8) . . ?
N18 C101 C102 133.3(8) . . ?
N17 C101 C102 114.5(8) . . ?
N20 C102 N19 113.9(8) . . ?
N20 C102 C101 131.5(8) . . ?
N19 C102 C101 114.6(8) . . ?
C104 C103 P9 121.8(14) . . ?
C104 C103 H10C 106.9 . . ?
P9 C103 H10C 106.9 . . ?
C104 C103 H10D 106.9 . . ?
P9 C103 H10D 106.9 . . ?
H10C C103 H10D 106.7 . . ?
C103 C104 C105 110.5(16) . . ?
C103 C104 H10E 109.5 . . ?
C105 C104 H10E 109.5 . . ?
C103 C104 H10F 109.5 . . ?
C105 C104 H10F 109.5 . . ?
H10E C104 H10F 108.1 . . ?
C104 C105 H10G 109.5 . . ?
C104 C105 H10H 109.5 . . ?
H10G C105 H10H 109.5 . . ?
C104 C105 H10I 109.5 . . ?
H10G C105 H10I 109.5 . . ?
H10H C105 H10I 109.5 . . ?
C107 C106 P9 118.7(13) . . ?
C107 C106 H10J 107.6 . . ?
P9 C106 H10J 107.6 . . ?
C107 C106 H10K 107.6 . . ?
P9 C106 H10K 107.6 . . ?
H10J C106 H10K 107.1 . . ?
C106 C107 C108 120.5(14) . . ?
C106 C107 H10L 107.2 . . ?
C108 C107 H10L 107.2 . . ?
C106 C107 H10M 107.2 . . ?
C108 C107 H10M 107.2 . . ?
H10L C107 H10M 106.8 . . ?
C107 C108 H10N 109.5 . . ?
C107 C108 H10O 109.5 . . ?
H10N C108 H10O 109.5 . . ?
C107 C108 H10P 109.5 . . ?
H10N C108 H10P 109.5 . . ?
H10O C108 H10P 109.5 . . ?
C110 C109 P9 117.1(15) . . ?
C110 C109 H10Q 108.0 . . ?
P9 C109 H10Q 108.0 . . ?
C110 C109 H10R 108.0 . . ?
P9 C109 H10R 108.0 . . ?
H10Q C109 H10R 107.3 . . ?
C109 C110 C111 111.1(17) . . ?
C109 C110 H11C 109.4 . . ?
C111 C110 H11C 109.4 . . ?
C109 C110 H11D 109.4 . . ?
C111 C110 H11D 109.4 . . ?
H11C C110 H11D 108.0 . . ?
C110 C111 H11E 109.5 . . ?
C110 C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C110 C111 H11G 109.5 . . ?
H11E C111 H11G 109.5 . . ?
H11F C111 H11G 109.5 . . ?
C113 C112 P10 116.7(7) . . ?
C113 C112 H11H 108.1 . . ?
P10 C112 H11H 108.1 . . ?
C113 C112 H11I 108.1 . . ?
P10 C112 H11I 108.1 . . ?
H11H C112 H11I 107.3 . . ?
C112 C113 C114 111.7(9) . . ?
C112 C113 H11J 109.3 . . ?
C114 C113 H11J 109.3 . . ?
C112 C113 H11K 109.3 . . ?
C114 C113 H11K 109.3 . . ?
H11J C113 H11K 107.9 . . ?
C113 C114 H11L 109.5 . . ?
C113 C114 H11M 109.5 . . ?
H11L C114 H11M 109.5 . . ?
C113 C114 H11N 109.5 . . ?
H11L C114 H11N 109.5 . . ?
H11M C114 H11N 109.5 . . ?
C116 C115 P10 117.3(9) . . ?
C116 C115 H11O 108.0 . . ?
P10 C115 H11O 108.0 . . ?
C116 C115 H11P 108.0 . . ?
P10 C115 H11P 108.0 . . ?
H11O C115 H11P 107.2 . . ?
C115 C116 C117 111.7(15) . . ?
C115 C116 H11Q 109.3 . . ?
C117 C116 H11Q 109.3 . . ?
C115 C116 H11R 109.3 . . ?
C117 C116 H11R 109.3 . . ?
H11Q C116 H11R 107.9 . . ?
C116 C117 H11S 109.5 . . ?
C116 C117 H11T 109.5 . . ?
H11S C117 H11T 109.5 . . ?
C116 C117 H11U 109.5 . . ?
H11S C117 H11U 109.5 . . ?
H11T C117 H11U 109.5 . . ?
C119 C118 P10 119.3(17) . . ?
C119 C118 H11V 107.5 . . ?
P10 C118 H11V 107.5 . . ?
C119 C118 H11W 107.5 . . ?
P10 C118 H11W 107.5 . . ?
H11V C118 H11W 107.0 . . ?
C118 C119 C120 108.8(18) . . ?
C118 C119 H11X 109.9 . . ?
C120 C119 H11X 109.9 . . ?
C118 C119 H11Y 109.9 . . ?
C120 C119 H11Y 109.9 . . ?
H11X C119 H11Y 108.3 . . ?
C119 C120 H12D 109.5 . . ?
C119 C120 H12E 109.5 . . ?
H12D C120 H12E 109.5 . . ?
C119 C120 H12F 109.5 . . ?
H12D C120 H12F 109.5 . . ?
H12E C120 H12F 109.5 . . ?
C122 C121 N21 106.7(8) . . ?
C122 C121 H121 126.6 . . ?
N21 C121 H121 126.6 . . ?
N22 C122 C121 110.9(8) . . ?
N22 C122 H122 124.6 . . ?
C121 C122 H122 124.6 . . ?
N23 C123 C124 108.6(8) . . ?
N23 C123 H123 125.7 . . ?
C124 C123 H123 125.7 . . ?
C123 C124 N24 107.9(8) . . ?
C123 C124 H124 126.0 . . ?
N24 C124 H124 126.0 . . ?
N22 C125 N21 113.2(8) . . ?
N22 C125 C126 133.0(8) . . ?
N21 C125 C126 113.7(7) . . ?
N23 C126 N24 111.3(7) . . ?
N23 C126 C125 116.6(8) . . ?
N24 C126 C125 131.9(8) . . ?
C128 C127 P11 118.5(8) . . ?
C128 C127 H12G 107.7 . . ?
P11 C127 H12G 107.7 . . ?
C128 C127 H12H 107.7 . . ?
P11 C127 H12H 107.7 . . ?
H12G C127 H12H 107.1 . . ?
C129 C128 C127 114.8(11) . . ?
C129 C128 H12I 108.6 . . ?
C127 C128 H12I 108.6 . . ?
C129 C128 H12J 108.6 . . ?
C127 C128 H12J 108.6 . . ?
H12I C128 H12J 107.5 . . ?
C128 C129 H12K 109.5 . . ?
C128 C129 H12L 109.5 . . ?
H12K C129 H12L 109.5 . . ?
C128 C129 H12M 109.5 . . ?
H12K C129 H12M 109.5 . . ?
H12L C129 H12M 109.5 . . ?
C131 C130 P11 116.5(8) . . ?
C131 C130 H13C 108.2 . . ?
P11 C130 H13C 108.2 . . ?
C131 C130 H13D 108.2 . . ?
P11 C130 H13D 108.2 . . ?
H13C C130 H13D 107.3 . . ?
C130 C131 C132 111.4(12) . . ?
C130 C131 H13E 109.3 . . ?
C132 C131 H13E 109.3 . . ?
C130 C131 H13F 109.3 . . ?
C132 C131 H13F 109.3 . . ?
H13E C131 H13F 108.0 . . ?
C131 C132 H13G 109.5 . . ?
C131 C132 H13H 109.5 . . ?
H13G C132 H13H 109.5 . . ?
C131 C132 H13I 109.5 . . ?
H13G C132 H13I 109.5 . . ?
H13H C132 H13I 109.5 . . ?
C134 C133 P11 117.4(8) . . ?
C134 C133 H13J 107.9 . . ?
P11 C133 H13J 107.9 . . ?
C134 C133 H13K 107.9 . . ?
P11 C133 H13K 107.9 . . ?
H13J C133 H13K 107.2 . . ?
C133 C134 C135 113.2(10) . . ?
C133 C134 H13L 108.9 . . ?
C135 C134 H13L 108.9 . . ?
C133 C134 H13M 108.9 . . ?
C135 C134 H13M 108.9 . . ?
H13L C134 H13M 107.7 . . ?
C134 C135 H13N 109.5 . . ?
C134 C135 H13O 109.5 . . ?
H13N C135 H13O 109.5 . . ?
C134 C135 H13P 109.5 . . ?
H13N C135 H13P 109.5 . . ?
H13O C135 H13P 109.5 . . ?
C137 C136 P12 118.5(12) . . ?
C137 C136 H13Q 107.7 . . ?
P12 C136 H13Q 107.7 . . ?
C137 C136 H13R 107.7 . . ?
P12 C136 H13R 107.7 . . ?
H13Q C136 H13R 107.1 . . ?
C136 C137 C138 111.5(13) . . ?
C136 C137 H13S 109.3 . . ?
C138 C137 H13S 109.3 . . ?
C136 C137 H13T 109.3 . . ?
C138 C137 H13T 109.3 . . ?
H13S C137 H13T 108.0 . . ?
C137 C138 H13U 109.5 . . ?
C137 C138 H13V 109.5 . . ?
H13U C138 H13V 109.5 . . ?
C137 C138 H13W 109.5 . . ?
H13U C138 H13W 109.5 . . ?
H13V C138 H13W 109.5 . . ?
C140 C139 P12 114.7(7) . . ?
C140 C139 H13X 108.6 . . ?
P12 C139 H13X 108.6 . . ?
C140 C139 H13Y 108.6 . . ?
P12 C139 H13Y 108.6 . . ?
H13X C139 H13Y 107.6 . . ?
C139 C140 C141 112.5(8) . . ?
C139 C140 H14C 109.1 . . ?
C141 C140 H14C 109.1 . . ?
C139 C140 H14D 109.1 . . ?
C141 C140 H14D 109.1 . . ?
H14C C140 H14D 107.8 . . ?
C140 C141 H14E 109.5 . . ?
C140 C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
C140 C141 H14G 109.5 . . ?
H14E C141 H14G 109.5 . . ?
H14F C141 H14G 109.5 . . ?
C143 C142 P12 118.2(9) . . ?
C143 C142 H14H 107.8 . . ?
P12 C142 H14H 107.8 . . ?
C143 C142 H14I 107.8 . . ?
P12 C142 H14I 107.8 . . ?
H14H C142 H14I 107.1 . . ?
C142 C143 C144 113.9(13) . . ?
C142 C143 H14J 108.8 . . ?
C144 C143 H14J 108.8 . . ?
C142 C143 H14K 108.8 . . ?
C144 C143 H14K 108.8 . . ?
H14J C143 H14K 107.7 . . ?
C143 C144 H14L 109.5 . . ?
C143 C144 H14M 109.5 . . ?
H14L C144 H14M 109.5 . . ?
C143 C144 H14N 109.5 . . ?
H14L C144 H14N 109.5 . . ?
H14M C144 H14N 109.5 . . ?
C6 N1 C3 105.1(7) . . ?
C6 N1 Os1 116.5(5) . . ?
C3 N1 Os1 138.3(6) . . ?
C6 N2 C4 104.0(7) . . ?
C5 N3 C1 105.2(7) . . ?
C5 N3 Os1 115.9(6) . . ?
C1 N3 Os1 138.7(6) . . ?
C5 N4 C2 104.8(7) . . ?
C5 N4 H4A 127.6 . . ?
C2 N4 H4A 127.6 . . ?
C29 N5 C25 105.5(7) . . ?
C29 N5 Os2 116.5(6) . . ?
C25 N5 Os2 138.0(6) . . ?
C29 N6 C26 105.5(7) . . ?
C30 N7 C27 105.8(7) . . ?
C30 N7 Os2 115.7(6) . . ?
C27 N7 Os2 138.5(6) . . ?
C30 N8 C28 106.7(8) . . ?
C30 N8 H8N 126.7 . . ?
C28 N8 H8N 126.7 . . ?
C53 N9 C49 105.8(7) . . ?
C53 N9 Os3 116.8(6) . . ?
C49 N9 Os3 137.3(6) . . ?
C53 N10 C50 105.9(7) . . ?
C53 N10 H10 127.1 . . ?
C50 N10 H10 127.1 . . ?
C54 N11 C51 105.5(7) . . ?
C54 N11 Os3 116.6(6) . . ?
C51 N11 Os3 137.8(7) . . ?
C54 N12 C52 103.9(7) . . ?
C77 N13 C73 104.4(7) . . ?
C77 N13 Os4 117.2(5) . . ?
C73 N13 Os4 138.4(6) . . ?
C77 N14 C74 103.8(8) . . ?
C78 N15 C75 106.2(7) . . ?
C78 N15 Os4 115.6(5) . . ?
C75 N15 Os4 138.2(5) . . ?
C78 N16 C76 107.9(7) . . ?
C78 N16 H16N 126.0 . . ?
C76 N16 H16N 126.0 . . ?
C101 N17 C97 104.4(7) . . ?
C101 N17 Os5 116.9(6) . . ?
C97 N17 Os5 138.7(6) . . ?
C101 N18 C98 106.4(8) . . ?
C101 N18 H18N 126.8 . . ?
C98 N18 H18N 126.8 . . ?
C102 N19 C99 105.0(7) . . ?
C102 N19 Os5 117.3(6) . . ?
C99 N19 Os5 137.4(6) . . ?
C102 N20 C100 103.7(8) . . ?
C125 N21 C121 105.3(7) . . ?
C125 N21 Os6 117.0(6) . . ?
C121 N21 Os6 137.7(6) . . ?
C125 N22 C122 103.8(7) . . ?
C126 N23 C123 106.1(7) . . ?
C126 N23 Os6 115.7(5) . . ?
C123 N23 Os6 138.1(6) . . ?
C126 N24 C124 106.0(7) . . ?
C126 N24 H24N 127.0 . . ?
C124 N24 H24N 127.0 . . ?
N1 Os1 N3 77.2(3) . . ?
N1 Os1 Cl1 171.60(18) . . ?
N3 Os1 Cl1 94.4(2) . . ?
N1 Os1 Cl2 92.21(18) . . ?
N3 Os1 Cl2 169.2(2) . . ?
Cl1 Os1 Cl2 96.19(8) . . ?
N1 Os1 P2 91.0(2) . . ?
N3 Os1 P2 88.9(2) . . ?
Cl1 Os1 P2 89.24(9) . . ?
Cl2 Os1 P2 89.39(8) . . ?
N1 Os1 P1 89.6(2) . . ?
N3 Os1 P1 92.4(2) . . ?
Cl1 Os1 P1 90.30(9) . . ?
Cl2 Os1 P1 89.48(8) . . ?
P2 Os1 P1 178.73(8) . . ?
N5 Os2 N7 77.2(3) . . ?
N5 Os2 Cl4 169.9(2) . . ?
N7 Os2 Cl4 92.7(2) . . ?
N5 Os2 Cl3 90.3(2) . . ?
N7 Os2 Cl3 167.5(2) . . ?
Cl4 Os2 Cl3 99.85(9) . . ?
N5 Os2 P3 91.7(2) . . ?
N7 Os2 P3 93.3(2) . . ?
Cl4 Os2 P3 89.38(10) . . ?
Cl3 Os2 P3 86.44(10) . . ?
N5 Os2 P4 90.8(2) . . ?
N7 Os2 P4 91.1(2) . . ?
Cl4 Os2 P4 88.77(10) . . ?
Cl3 Os2 P4 89.68(9) . . ?
P3 Os2 P4 175.36(9) . . ?
N9 Os3 N11 76.2(3) . . ?
N9 Os3 Cl6 170.25(18) . . ?
N11 Os3 Cl6 94.6(2) . . ?
N9 Os3 Cl5 91.38(18) . . ?
N11 Os3 Cl5 167.5(2) . . ?
Cl6 Os3 Cl5 97.90(9) . . ?
N9 Os3 P6 93.87(19) . . ?
N11 Os3 P6 88.9(2) . . ?
Cl6 Os3 P6 89.06(10) . . ?
Cl5 Os3 P6 90.31(10) . . ?
N9 Os3 P5 90.80(18) . . ?
N11 Os3 P5 93.8(2) . . ?
Cl6 Os3 P5 86.61(9) . . ?
Cl5 Os3 P5 87.88(8) . . ?
P6 Os3 P5 175.03(9) . . ?
N13 Os4 N15 76.7(3) . . ?
N13 Os4 Cl7 92.5(2) . . ?
N15 Os4 Cl7 169.09(18) . . ?
N13 Os4 Cl8 169.8(2) . . ?
N15 Os4 Cl8 93.19(18) . . ?
Cl7 Os4 Cl8 97.71(9) . . ?
N13 Os4 P7 90.9(2) . . ?
N15 Os4 P7 92.71(19) . . ?
Cl7 Os4 P7 86.62(9) . . ?
Cl8 Os4 P7 90.26(9) . . ?
N13 Os4 P8 91.5(2) . . ?
N15 Os4 P8 92.54(19) . . ?
Cl7 Os4 P8 88.45(8) . . ?
Cl8 Os4 P8 88.24(9) . . ?
P7 Os4 P8 174.61(10) . . ?
N17 Os5 N19 76.7(3) . . ?
N17 Os5 Cl10 171.0(2) . . ?
N19 Os5 Cl10 94.7(2) . . ?
N17 Os5 Cl9 90.7(2) . . ?
N19 Os5 Cl9 167.0(2) . . ?
Cl10 Os5 Cl9 98.00(10) . . ?
N17 Os5 P10 95.0(2) . . ?
N19 Os5 P10 89.0(2) . . ?
Cl10 Os5 P10 87.48(10) . . ?
Cl9 Os5 P10 88.87(9) . . ?
N17 Os5 P9 90.0(2) . . ?
N19 Os5 P9 94.6(2) . . ?
Cl10 Os5 P9 87.94(11) . . ?
Cl9 Os5 P9 88.62(10) . . ?
P10 Os5 P9 174.43(10) . . ?
N23 Os6 N21 76.9(3) . . ?
N23 Os6 Cl11 170.71(19) . . ?
N21 Os6 Cl11 93.9(2) . . ?
N23 Os6 Cl12 92.33(19) . . ?
N21 Os6 Cl12 169.1(2) . . ?
Cl11 Os6 Cl12 96.93(9) . . ?
N23 Os6 P11 92.0(2) . . ?
N21 Os6 P11 91.3(2) . . ?
Cl11 Os6 P11 89.21(9) . . ?
Cl12 Os6 P11 87.27(9) . . ?
N23 Os6 P12 92.4(2) . . ?
N21 Os6 P12 92.0(2) . . ?
Cl11 Os6 P12 86.86(9) . . ?
Cl12 Os6 P12 90.14(8) . . ?
P11 Os6 P12 175.00(9) . . ?
C7 P1 C10 104.6(4) . . ?
C7 P1 C13 103.9(4) . . ?
C10 P1 C13 104.6(5) . . ?
C7 P1 Os1 114.5(3) . . ?
C10 P1 Os1 112.0(3) . . ?
C13 P1 Os1 116.1(3) . . ?
C19 P2 C16 105.6(5) . . ?
C19 P2 C22 100.4(5) . . ?
C16 P2 C22 105.4(5) . . ?
C19 P2 Os1 115.5(4) . . ?
C16 P2 Os1 113.1(3) . . ?
C22 P2 Os1 115.4(4) . . ?
C34 P3 C31 102.8(5) . . ?
C34 P3 C37 103.0(6) . . ?
C31 P3 C37 104.4(6) . . ?
C34 P3 Os2 115.0(4) . . ?
C31 P3 Os2 118.4(4) . . ?
C37 P3 Os2 111.5(4) . . ?
C40 P4 C46 110.2(8) . . ?
C40 P4 C43 98.2(8) . . ?
C46 P4 C43 102.6(9) . . ?
C40 P4 Os2 116.8(6) . . ?
C46 P4 Os2 112.8(5) . . ?
C43 P4 Os2 114.5(6) . . ?
C55 P5 C61 105.8(5) . . ?
C55 P5 C58 105.7(5) . . ?
C61 P5 C58 104.4(5) . . ?
C55 P5 Os3 114.5(3) . . ?
C61 P5 Os3 111.1(4) . . ?
C58 P5 Os3 114.5(3) . . ?
C64 P6 C70 109.2(7) . . ?
C64 P6 C67 102.5(7) . . ?
C70 P6 C67 101.2(7) . . ?
C64 P6 Os3 118.0(6) . . ?
C70 P6 Os3 113.6(5) . . ?
C67 P6 Os3 110.4(5) . . ?
C82 P7 C79 105.4(5) . . ?
C82 P7 C85 101.7(7) . . ?
C79 P7 C85 105.0(6) . . ?
C82 P7 Os4 116.2(4) . . ?
C79 P7 Os4 116.4(4) . . ?
C85 P7 Os4 110.6(5) . . ?
C91 P8 C88 105.0(5) . . ?
C91 P8 C94 100.1(5) . . ?
C88 P8 C94 103.7(5) . . ?
C91 P8 Os4 116.8(4) . . ?
C88 P8 Os4 115.1(3) . . ?
C94 P8 Os4 114.3(3) . . ?
C106 P9 C103 108.1(7) . . ?
C106 P9 C109 103.5(9) . . ?
C103 P9 C109 96.2(8) . . ?
C106 P9 Os5 119.6(6) . . ?
C103 P9 Os5 112.5(6) . . ?
C109 P9 Os5 114.1(5) . . ?
C112 P10 C115 103.3(5) . . ?
C112 P10 C118 96.0(7) . . ?
C115 P10 C118 111.5(9) . . ?
C112 P10 Os5 113.0(3) . . ?
C115 P10 Os5 118.4(5) . . ?
C118 P10 Os5 112.0(6) . . ?
C127 P11 C133 103.8(5) . . ?
C127 P11 C130 102.6(6) . . ?
C133 P11 C130 105.7(5) . . ?
C127 P11 Os6 115.9(4) . . ?
C133 P11 Os6 110.7(4) . . ?
C130 P11 Os6 116.9(3) . . ?
C139 P12 C142 106.0(5) . . ?
C139 P12 C136 105.5(6) . . ?
C142 P12 C136 102.0(6) . . ?
C139 P12 Os6 115.7(4) . . ?
C142 P12 Os6 112.6(3) . . ?
C136 P12 Os6 113.8(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
N3 C1 C2 N4 -0.4(11) . . . . ?
N1 C3 C4 N2 1.0(11) . . . . ?
N4 C5 C6 N1 179.9(9) . . . . ?
N3 C5 C6 N1 -0.2(12) . . . . ?
N4 C5 C6 N2 -0.5(17) . . . . ?
N3 C5 C6 N2 179.5(9) . . . . ?
P1 C7 C8 C9 162.3(8) . . . . ?
P1 C10 C11 C12 -165.8(8) . . . . ?
P1 C13 C14 C15 174.7(9) . . . . ?
P2 C16 C17 C18 180.0(10) . . . . ?
P2 C19 C20 C21 170.1(9) . . . . ?
P2 C22 C23 C24 -170.5(9) . . . . ?
N5 C25 C26 N6 0.6(11) . . . . ?
N7 C27 C28 N8 1.5(12) . . . . ?
N5 C29 C30 N7 0.3(12) . . . . ?
N6 C29 C30 N7 176.1(9) . . . . ?
N5 C29 C30 N8 -178.3(9) . . . . ?
N6 C29 C30 N8 -2.4(18) . . . . ?
P3 C31 C32 C33 -173.4(10) . . . . ?
P3 C34 C35 C36 174.9(9) . . . . ?
P3 C37 C38 C39 -178.9(11) . . . . ?
P4 C40 C41 C42 -166.9(12) . . . . ?
P4 C43 C44 C45 178.5(15) . . . . ?
P4 C46 C47 C48 -162.6(10) . . . . ?
N9 C49 C50 N10 0.4(10) . . . . ?
N11 C51 C52 N12 -0.1(11) . . . . ?
N10 C53 C54 N11 -178.7(8) . . . . ?
N9 C53 C54 N11 -0.3(11) . . . . ?
N10 C53 C54 N12 1.2(16) . . . . ?
N9 C53 C54 N12 179.6(8) . . . . ?
P5 C55 C56 C57 -170.6(7) . . . . ?
P5 C58 C59 C60 174.5(8) . . . . ?
P5 C61 C62 C63 -176.0(12) . . . . ?
P6 C64 C65 C66 172.8(11) . . . . ?
P6 C67 C68 C69 -176.6(12) . . . . ?
P6 C70 C71 C72 -168.5(9) . . . . ?
N13 C73 C74 N14 0.2(13) . . . . ?
N15 C75 C76 N16 -0.6(10) . . . . ?
N14 C77 C78 N15 -178.0(9) . . . . ?
N13 C77 C78 N15 0.5(11) . . . . ?
N14 C77 C78 N16 -0.2(17) . . . . ?
N13 C77 C78 N16 178.3(8) . . . . ?
P7 C79 C80 C81 173.3(9) . . . . ?
P7 C82 C83 C84 171.8(9) . . . . ?
P7 C85 C86 C87 -165.8(12) . . . . ?
P8 C88 C89 C90 174.0(8) . . . . ?
P8 C91 C92 C93 -177.7(9) . . . . ?
P8 C94 C95 C96 -164.2(9) . . . . ?
N17 C97 C98 N18 -0.8(12) . . . . ?
N19 C99 C100 N20 0.8(11) . . . . ?
N18 C101 C102 N20 -4.0(17) . . . . ?
N17 C101 C102 N20 175.6(9) . . . . ?
N18 C101 C102 N19 176.8(9) . . . . ?
N17 C101 C102 N19 -3.5(11) . . . . ?
P9 C103 C104 C105 165.4(12) . . . . ?
P9 C106 C107 C108 -175.5(16) . . . . ?
P9 C109 C110 C111 164.9(11) . . . . ?
P10 C112 C113 C114 -171.2(10) . . . . ?
P10 C115 C116 C117 156.0(9) . . . . ?
P10 C118 C119 C120 -175.0(12) . . . . ?
N21 C121 C122 N22 1.2(11) . . . . ?
N23 C123 C124 N24 -0.6(11) . . . . ?
N22 C125 C126 N23 179.1(9) . . . . ?
N21 C125 C126 N23 1.0(11) . . . . ?
N22 C125 C126 N24 -3.9(17) . . . . ?
N21 C125 C126 N24 177.9(9) . . . . ?
P11 C127 C128 C129 -178.8(10) . . . . ?
P11 C130 C131 C132 172.0(8) . . . . ?
P11 C133 C134 C135 -175.5(9) . . . . ?
P12 C136 C137 C138 177.4(10) . . . . ?
P12 C139 C140 C141 169.4(8) . . . . ?
P12 C142 C143 C144 176.3(10) . . . . ?
N2 C6 N1 C3 0.4(10) . . . . ?
C5 C6 N1 C3 -179.9(8) . . . . ?
N2 C6 N1 Os1 177.6(6) . . . . ?
C5 C6 N1 Os1 -2.7(10) . . . . ?
C4 C3 N1 C6 -0.8(10) . . . . ?
C4 C3 N1 Os1 -177.0(7) . . . . ?
N1 C6 N2 C4 0.2(10) . . . . ?
C5 C6 N2 C4 -179.5(10) . . . . ?
C3 C4 N2 C6 -0.7(10) . . . . ?
N4 C5 N3 C1 -1.0(10) . . . . ?
C6 C5 N3 C1 179.0(8) . . . . ?
N4 C5 N3 Os1 -177.1(6) . . . . ?
C6 C5 N3 Os1 2.9(10) . . . . ?
C2 C1 N3 C5 0.8(10) . . . . ?
C2 C1 N3 Os1 175.5(7) . . . . ?
N3 C5 N4 C2 0.8(10) . . . . ?
C6 C5 N4 C2 -179.3(10) . . . . ?
C1 C2 N4 C5 -0.2(10) . . . . ?
N6 C29 N5 C25 0.8(10) . . . . ?
C30 C29 N5 C25 177.4(8) . . . . ?
N6 C29 N5 Os2 -179.4(6) . . . . ?
C30 C29 N5 Os2 -2.7(10) . . . . ?
C26 C25 N5 C29 -0.8(10) . . . . ?
C26 C25 N5 Os2 179.4(7) . . . . ?
N5 C29 N6 C26 -0.4(10) . . . . ?
C30 C29 N6 C26 -176.4(10) . . . . ?
C25 C26 N6 C29 -0.1(10) . . . . ?
N8 C30 N7 C27 0.9(10) . . . . ?
C29 C30 N7 C27 -178.0(8) . . . . ?
N8 C30 N7 Os2 -178.9(5) . . . . ?
C29 C30 N7 Os2 2.2(10) . . . . ?
C28 C27 N7 C30 -1.5(11) . . . . ?
C28 C27 N7 Os2 178.2(7) . . . . ?
N7 C30 N8 C28 0.1(10) . . . . ?
C29 C30 N8 C28 178.6(10) . . . . ?
C27 C28 N8 C30 -1.0(11) . . . . ?
N10 C53 N9 C49 0.4(9) . . . . ?
C54 C53 N9 C49 -178.3(7) . . . . ?
N10 C53 N9 Os3 178.0(5) . . . . ?
C54 C53 N9 Os3 -0.7(9) . . . . ?
C50 C49 N9 C53 -0.5(9) . . . . ?
C50 C49 N9 Os3 -177.4(6) . . . . ?
N9 C53 N10 C50 -0.2(9) . . . . ?
C54 C53 N10 C50 178.3(9) . . . . ?
C49 C50 N10 C53 -0.1(10) . . . . ?
N12 C54 N11 C51 -0.5(10) . . . . ?
C53 C54 N11 C51 179.5(7) . . . . ?
N12 C54 N11 Os3 -178.8(5) . . . . ?
C53 C54 N11 Os3 1.2(9) . . . . ?
C52 C51 N11 C54 0.3(10) . . . . ?
C52 C51 N11 Os3 178.1(7) . . . . ?
N11 C54 N12 C52 0.4(9) . . . . ?
C53 C54 N12 C52 -179.5(9) . . . . ?
C51 C52 N12 C54 -0.1(10) . . . . ?
N14 C77 N13 C73 -1.6(10) . . . . ?
C78 C77 N13 C73 179.6(8) . . . . ?
N14 C77 N13 Os4 179.1(6) . . . . ?
C78 C77 N13 Os4 0.3(10) . . . . ?
C74 C73 N13 C77 0.8(11) . . . . ?
C74 C73 N13 Os4 179.8(8) . . . . ?
N13 C77 N14 C74 1.7(11) . . . . ?
C78 C77 N14 C74 -179.8(10) . . . . ?
C73 C74 N14 C77 -1.1(12) . . . . ?
N16 C78 N15 C75 0.8(9) . . . . ?
C77 C78 N15 C75 179.1(7) . . . . ?
N16 C78 N15 Os4 -179.4(5) . . . . ?
C77 C78 N15 Os4 -1.1(9) . . . . ?
C76 C75 N15 C78 -0.1(9) . . . . ?
C76 C75 N15 Os4 -179.8(6) . . . . ?
N15 C78 N16 C76 -1.3(9) . . . . ?
C77 C78 N16 C76 -179.2(9) . . . . ?
C75 C76 N16 C78 1.1(10) . . . . ?
N18 C101 N17 C97 -0.6(10) . . . . ?
C102 C101 N17 C97 179.7(8) . . . . ?
N18 C101 N17 Os5 -178.5(6) . . . . ?
C102 C101 N17 Os5 1.8(9) . . . . ?
C98 C97 N17 C101 0.8(10) . . . . ?
C98 C97 N17 Os5 177.9(7) . . . . ?
N17 C101 N18 C98 0.2(10) . . . . ?
C102 C101 N18 C98 179.8(9) . . . . ?
C97 C98 N18 C101 0.4(11) . . . . ?
N20 C102 N19 C99 -0.7(10) . . . . ?
C101 C102 N19 C99 178.6(7) . . . . ?
N20 C102 N19 Os5 -175.6(6) . . . . ?
C101 C102 N19 Os5 3.7(10) . . . . ?
C100 C99 N19 C102 -0.1(10) . . . . ?
C100 C99 N19 Os5 173.2(7) . . . . ?
N19 C102 N20 C100 1.1(10) . . . . ?
C101 C102 N20 C100 -178.0(9) . . . . ?
C99 C100 N20 C102 -1.2(11) . . . . ?
N22 C125 N21 C121 1.4(10) . . . . ?
C126 C125 N21 C121 179.9(8) . . . . ?
N22 C125 N21 Os6 -179.8(6) . . . . ?
C126 C125 N21 Os6 -1.2(10) . . . . ?
C122 C121 N21 C125 -1.5(10) . . . . ?
C122 C121 N21 Os6 -180.0(7) . . . . ?
N21 C125 N22 C122 -0.7(10) . . . . ?
C126 C125 N22 C122 -178.8(10) . . . . ?
C121 C122 N22 C125 -0.3(10) . . . . ?
N24 C126 N23 C123 -0.2(10) . . . . ?
C125 C126 N23 C123 177.4(8) . . . . ?
N24 C126 N23 Os6 -177.9(5) . . . . ?
C125 C126 N23 Os6 -0.3(10) . . . . ?
C124 C123 N23 C126 0.5(10) . . . . ?
C124 C123 N23 Os6 177.4(7) . . . . ?
N23 C126 N24 C124 -0.2(10) . . . . ?
C125 C126 N24 C124 -177.2(9) . . . . ?
C123 C124 N24 C126 0.5(10) . . . . ?
C8 C7 P1 C10 155.7(7) . . . . ?
C8 C7 P1 C13 46.2(8) . . . . ?
C8 C7 P1 Os1 -81.4(7) . . . . ?
C11 C10 P1 C7 -59.6(9) . . . . ?
C11 C10 P1 C13 49.3(9) . . . . ?
C11 C10 P1 Os1 175.8(7) . . . . ?
C14 C13 P1 C7 167.2(8) . . . . ?
C14 C13 P1 C10 57.7(9) . . . . ?
C14 C13 P1 Os1 -66.2(8) . . . . ?
C20 C19 P2 C16 54.0(9) . . . . ?
C20 C19 P2 C22 163.4(8) . . . . ?
C20 C19 P2 Os1 -71.8(8) . . . . ?
C17 C16 P2 C19 51.7(10) . . . . ?
C17 C16 P2 C22 -54.1(10) . . . . ?
C17 C16 P2 Os1 178.9(8) . . . . ?
C23 C22 P2 C19 -168.1(9) . . . . ?
C23 C22 P2 C16 -58.6(10) . . . . ?
C23 C22 P2 Os1 67.0(9) . . . . ?
C35 C34 P3 C31 47.2(10) . . . . ?
C35 C34 P3 C37 155.5(10) . . . . ?
C35 C34 P3 Os2 -83.0(10) . . . . ?
C32 C31 P3 C34 164.1(8) . . . . ?
C32 C31 P3 C37 56.8(10) . . . . ?
C32 C31 P3 Os2 -67.9(9) . . . . ?
C38 C37 P3 C34 -60.6(13) . . . . ?
C38 C37 P3 C31 46.6(14) . . . . ?
C38 C37 P3 Os2 175.5(11) . . . . ?
C41 C40 P4 C46 -161.0(15) . . . . ?
C41 C40 P4 C43 -54.3(17) . . . . ?
C41 C40 P4 Os2 68.5(17) . . . . ?
C47 C46 P4 C40 -38.8(14) . . . . ?
C47 C46 P4 C43 -142.5(11) . . . . ?
C47 C46 P4 Os2 93.8(11) . . . . ?
C44 C43 P4 C40 -177.5(18) . . . . ?
C44 C43 P4 C46 -64.5(18) . . . . ?
C44 C43 P4 Os2 58.0(19) . . . . ?
C56 C55 P5 C61 -53.5(9) . . . . ?
C56 C55 P5 C58 56.9(9) . . . . ?
C56 C55 P5 Os3 -176.2(6) . . . . ?
C62 C61 P5 C55 80.8(14) . . . . ?
C62 C61 P5 C58 -30.5(14) . . . . ?
C62 C61 P5 Os3 -154.4(12) . . . . ?
C59 C58 P5 C55 46.7(9) . . . . ?
C59 C58 P5 C61 158.1(8) . . . . ?
C59 C58 P5 Os3 -80.2(8) . . . . ?
C65 C64 P6 C70 -163.0(13) . . . . ?
C65 C64 P6 C67 -56.2(15) . . . . ?
C65 C64 P6 Os3 65.3(15) . . . . ?
C71 C70 P6 C64 -52.4(12) . . . . ?
C71 C70 P6 C67 -160.0(10) . . . . ?
C71 C70 P6 Os3 81.6(10) . . . . ?
C83 C82 P7 C79 46.1(11) . . . . ?
C83 C82 P7 C85 155.4(10) . . . . ?
C83 C82 P7 Os4 -84.4(10) . . . . ?
C80 C79 P7 C82 158.6(8) . . . . ?
C80 C79 P7 C85 51.6(10) . . . . ?
C80 C79 P7 Os4 -71.0(8) . . . . ?
C86 C85 P7 C82 -52.0(15) . . . . ?
C86 C85 P7 C79 57.7(15) . . . . ?
C86 C85 P7 Os4 -176.0(12) . . . . ?
C92 C91 P8 C88 62.9(9) . . . . ?
C92 C91 P8 C94 170.1(9) . . . . ?
C92 C91 P8 Os4 -66.0(9) . . . . ?
C89 C88 P8 C91 47.3(9) . . . . ?
C89 C88 P8 C94 -57.3(9) . . . . ?
C89 C88 P8 Os4 177.1(6) . . . . ?
C95 C94 P8 C91 -155.5(8) . . . . ?
C95 C94 P8 C88 -47.3(9) . . . . ?
C95 C94 P8 Os4 78.9(8) . . . . ?
C107 C106 P9 C103 -43.6(19) . . . . ?
C107 C106 P9 C109 -144.9(17) . . . . ?
C107 C106 P9 Os5 86.8(16) . . . . ?
C104 C103 P9 C106 -50.5(18) . . . . ?
C104 C103 P9 C109 55.9(17) . . . . ?
C104 C103 P9 Os5 175.2(13) . . . . ?
C113 C112 P10 C115 -45.0(11) . . . . ?
C113 C112 P10 C118 68.8(11) . . . . ?
C113 C112 P10 Os5 -174.2(8) . . . . ?
C116 C115 P10 C112 -53.7(11) . . . . ?
C116 C115 P10 C118 -155.7(10) . . . . ?
C116 C115 P10 Os5 72.1(10) . . . . ?
C119 C118 P10 C112 -157.5(15) . . . . ?
C119 C118 P10 C115 -50.7(17) . . . . ?
C119 C118 P10 Os5 84.6(16) . . . . ?
C128 C127 P11 C133 156.2(9) . . . . ?
C128 C127 P11 C130 46.3(10) . . . . ?
C128 C127 P11 Os6 -82.3(10) . . . . ?
C134 C133 P11 C127 -54.7(10) . . . . ?
C134 C133 P11 C130 52.9(10) . . . . ?
C134 C133 P11 Os6 -179.7(8) . . . . ?
C131 C130 P11 C127 162.1(8) . . . . ?
C131 C130 P11 C133 53.7(9) . . . . ?
C131 C130 P11 Os6 -69.8(9) . . . . ?
C140 C139 P12 C142 54.3(9) . . . . ?
C140 C139 P12 C136 162.0(9) . . . . ?
C140 C139 P12 Os6 -71.3(8) . . . . ?
C143 C142 P12 C139 50.6(11) . . . . ?
C143 C142 P12 C136 -59.6(11) . . . . ?
C143 C142 P12 Os6 178.0(8) . . . . ?
C137 C136 P12 C139 44.2(14) . . . . ?
C137 C136 P12 C142 154.8(12) . . . . ?
C137 C136 P12 Os6 -83.6(13) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N4 H4A N6 0.86 1.88 2.714(10) 162.4 .
N8 H8N N2 0.86 1.89 2.732(10) 166.2 .
N10 H10 N14 0.86 1.93 2.779(11) 166.7 .
N16 H16N N12 0.86 1.97 2.803(10) 163.5 .
N18 H18N N22 0.86 1.91 2.747(11) 164.6 1_565
N24 H24N N20 0.86 1.94 2.778(11) 164.4 1_545
C7 H7B Cl6 0.97 2.93 3.728(9) 140.3 2_756
C10 H10B Cl2 0.97 2.84 3.464(10) 122.9 .
C13 H13A Cl1 0.97 2.88 3.356(10) 111.2 .
C16 H16B Cl2 0.97 2.91 3.504(10) 120.6 .
C20 H20A Cl2 0.97 2.95 3.746(12) 139.8 .
C23 H23B Cl1 0.97 2.72 3.537(14) 141.7 .
C35 H35A N5 0.97 2.68 3.421(14) 133.3 .
C37 H37A Cl3 0.97 2.91 3.471(14) 118.1 .
C37 H37B Cl4 0.97 2.87 3.497(14) 123.4 .
C46 H46B Cl3 0.97 2.95 3.582(17) 124.0 .
C47 H47B N5 0.97 2.69 3.399(18) 130.2 .
C52 H52 Cl1 0.93 2.81 3.722(9) 166.7 .
C59 H59A N11 0.97 2.59 3.394(13) 140.5 .
C61 H61A Cl6 0.97 2.89 3.546(12) 125.6 .
C67 H67A Cl6 0.97 2.88 3.512(16) 124.1 .
C70 H70A Cl9 0.97 2.69 3.561(14) 148.9 .
C76 H76 Cl1 0.93 2.83 3.755(9) 170.6 .
C80 H80B Cl8 0.97 2.87 3.661(11) 139.5 .
C83 H83A N13 0.97 2.68 3.413(14) 133.2 .
C85 H85A Cl7 0.97 2.82 3.449(14) 122.9 .
C91 H91A Cl7 0.97 2.84 3.346(11) 113.3 .
C92 H92A Cl8 0.97 2.95 3.593(13) 124.9 .
C98 H98 Cl4 0.93 2.92 3.706(10) 143.3 6_566
C103 H10D Cl10 0.97 2.77 3.407(16) 124.2 .
C106 H10K N17 0.97 2.76 3.353(17) 119.9 .
C110 H11D N19 0.97 2.72 3.455(16) 133.5 .
C112 H11I Cl9 0.97 2.88 3.394(9) 114.2 .
C116 H11R Cl10 0.97 3.00 3.463(15) 110.9 .
C119 H11Y N17 0.97 2.80 3.502(19) 129.8 .
C124 H124 Cl8 0.93 2.93 3.854(10) 171.4 4_646
C128 H12J N23 0.97 2.74 3.470(14) 132.8 .
C131 H13E Cl11 0.97 2.88 3.659(14) 138.2 .
C133 H13J Cl12 0.97 2.81 3.422(10) 121.5 .
C133 H13K Cl11 0.97 2.89 3.483(11) 120.7 .
C137 H13S N21 0.97 2.65 3.406(16) 135.3 .
C140 H14C Cl12 0.97 2.85 3.675(10) 143.6 .
C142 H14H Cl11 0.97 2.90 3.471(10) 118.9 .
C142 H14I Cl12 0.97 2.96 3.563(11) 121.4 .
N4 H4A N6 0.86 1.88 2.714(10) 162.4 .
N8 H8N N2 0.86 1.89 2.732(10) 166.2 .
N10 H10 N14 0.86 1.93 2.779(11) 166.7 .
N16 H16N N12 0.86 1.97 2.803(10) 163.5 .
N18 H18N N22 0.86 1.91 2.747(11) 164.6 1_565
N24 H24N N20 0.86 1.94 2.778(11) 164.4 1_545

_refine_diff_density_max         2.090
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.185

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_RePPr3Cl2Agbim_dimer_400a_sq
_database_code_depnum_ccdc_archive 'CCDC 1870900'
_audit_update_record             
;
2018-10-01 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H184 Ag4 Cl8 N16 P8 Re4'
_chemical_formula_weight         3270.22

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'
N N 0.0061 0.0033 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

_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+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   16.1348(13)
_cell_length_b                   37.674(3)
_cell_length_c                   23.0683(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14022(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9605
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      24.90

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_F_000             6464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    4.270
_shelx_estimated_absorpt_T_min   0.548
_shelx_estimated_absorpt_T_max   0.784
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            161225
_diffrn_reflns_av_unetI/netI     0.1053
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.081
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             32143
_reflns_number_gt                17985
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.948
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_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. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0400P)²+0.8592P] 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_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.198(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         32143
_refine_ls_number_parameters     1214
_refine_ls_number_restraints     170
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0528
_refine_ls_wR_factor_ref         0.1100
_refine_ls_wR_factor_gt          0.1003
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_restrained_S_all      0.940
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001

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 0.94688(8) 0.65990(4) 0.73678(7) 0.0503(4) Uani 1 1 d . . . . .
Ag2 Ag 0.85917(8) 0.59336(3) 0.77111(6) 0.0466(4) Uani 1 1 d . . . . .
Ag3 Ag 0.35853(8) 0.90805(3) 0.69295(6) 0.0409(3) Uani 1 1 d . . . . .
Ag4 Ag 0.44436(8) 0.84001(3) 0.72042(6) 0.0454(4) Uani 1 1 d . . . . .
C1 C 1.1996(12) 0.6323(5) 0.7189(11) 0.084(8) Uani 1 1 d . . . . .
H1 H 1.252867 0.637720 0.703660 0.101 Uiso 1 1 calc R U . . .
C2 C 1.1359(13) 0.6535(6) 0.7194(12) 0.113(11) Uani 1 1 d . . . . .
H2 H 1.139427 0.677954 0.709753 0.136 Uiso 1 1 calc R U . . .
C3 C 1.0484(10) 0.5186(5) 0.7991(8) 0.059(6) Uani 1 1 d . . . . .
H3 H 1.065222 0.495165 0.808781 0.071 Uiso 1 1 calc R U . . .
C4 C 0.9715(11) 0.5299(4) 0.8002(8) 0.053(5) Uani 1 1 d . . . . .
H4 H 0.924774 0.516534 0.812315 0.064 Uiso 1 1 calc R U . . .
C5 C 1.0874(9) 0.6035(4) 0.7511(5) 0.022(3) Uani 1 1 d . U . . .
C6 C 1.0496(10) 0.5723(4) 0.7694(7) 0.041(4) Uani 1 1 d . . . . .
C7 C 1.2890(12) 0.5073(6) 0.6310(11) 0.096(8) Uani 1 1 d . . . . .
H7A H 1.269524 0.498192 0.593119 0.115 Uiso 1 1 calc R U . . .
H7B H 1.327642 0.527053 0.622925 0.115 Uiso 1 1 calc R U . . .
C8 C 1.3365(12) 0.4789(5) 0.6589(7) 0.064(6) Uani 1 1 d . . . . .
H8A H 1.297273 0.460589 0.672806 0.077 Uiso 1 1 calc R U . . .
H8B H 1.364778 0.488911 0.693317 0.077 Uiso 1 1 calc R U . . .
C9 C 1.4022(14) 0.4607(6) 0.6202(11) 0.116(10) Uani 1 1 d . . . . .
H9A H 1.375122 0.443209 0.595082 0.175 Uiso 1 1 calc R U . . .
H9B H 1.443240 0.448743 0.644691 0.175 Uiso 1 1 calc R U . . .
H9C H 1.429966 0.478597 0.596220 0.175 Uiso 1 1 calc R U . . .
C10 C 1.1356(18) 0.5572(8) 0.6196(11) 0.152(11) Uani 1 1 d . . . . .
H10A H 1.107847 0.542910 0.589223 0.183 Uiso 1 1 calc R U . . .
H10B H 1.092146 0.569349 0.642436 0.183 Uiso 1 1 calc R U . . .
C11 C 1.1852(15) 0.5820(7) 0.5939(13) 0.127(9) Uani 1 1 d . . . . .
H11A H 1.217468 0.571387 0.561742 0.153 Uiso 1 1 calc R U . . .
H11B H 1.223954 0.592546 0.622292 0.153 Uiso 1 1 calc R U . . .
C12 C 1.1153(16) 0.6139(9) 0.5678(11) 0.169(13) Uani 1 1 d . . . . .
H12A H 1.060592 0.603006 0.562620 0.253 Uiso 1 1 calc R U . . .
H12B H 1.135002 0.623058 0.530502 0.253 Uiso 1 1 calc R U . . .
H12C H 1.111141 0.633441 0.595668 0.253 Uiso 1 1 calc R U . . .
C13 C 1.1243(10) 0.4894(5) 0.6713(9) 0.071(6) Uani 1 1 d . . . . .
H13A H 1.141929 0.473405 0.703050 0.085 Uiso 1 1 calc R U . . .
H13B H 1.069889 0.499317 0.682719 0.085 Uiso 1 1 calc R U . . .
C14 C 1.1093(13) 0.4661(6) 0.6182(9) 0.081(7) Uani 1 1 d . . . . .
H14A H 1.098170 0.481540 0.584359 0.097 Uiso 1 1 calc R U . . .
H14B H 1.160143 0.452328 0.609936 0.097 Uiso 1 1 calc R U . . .
C15 C 1.0370(14) 0.4406(6) 0.6261(12) 0.121(11) Uani 1 1 d . . . . .
H15A H 1.055654 0.419657 0.647722 0.182 Uiso 1 1 calc R U . . .
H15B H 1.016275 0.433207 0.588020 0.182 Uiso 1 1 calc R U . . .
H15C H 0.992511 0.452415 0.647621 0.182 Uiso 1 1 calc R U . . .
C16 C 1.3377(14) 0.5544(5) 0.9005(13) 0.119(9) Uani 1 1 d . . . . .
H16A H 1.335765 0.563835 0.940582 0.143 Uiso 1 1 calc R U . . .
H16B H 1.323092 0.528967 0.902940 0.143 Uiso 1 1 calc R U . . .
C17 C 1.4189(15) 0.5561(6) 0.8829(12) 0.118(8) Uani 1 1 d . . . . .
H17A H 1.431812 0.581193 0.873581 0.141 Uiso 1 1 calc R U . . .
H17B H 1.424301 0.542368 0.846592 0.141 Uiso 1 1 calc R U . . .
C18 C 1.4871(17) 0.5422(7) 0.9271(14) 0.177(15) Uani 1 1 d . . . . .
H18A H 1.535398 0.533655 0.905509 0.266 Uiso 1 1 calc R U . . .
H18B H 1.463988 0.522769 0.950251 0.266 Uiso 1 1 calc R U . . .
H18C H 1.503876 0.561629 0.952833 0.266 Uiso 1 1 calc R U . . .
C19 C 1.2800(13) 0.6229(5) 0.8643(11) 0.105(7) Uani 1 1 d . . . . .
H19A H 1.324719 0.626783 0.835622 0.125 Uiso 1 1 calc R U . . .
H19B H 1.230359 0.635107 0.848859 0.125 Uiso 1 1 calc R U . . .
C20 C 1.3033(18) 0.6417(6) 0.9141(14) 0.173(9) Uani 1 1 d . . . . .
H20A H 1.359859 0.633980 0.924958 0.207 Uiso 1 1 calc R U . . .
H20B H 1.265774 0.634544 0.945958 0.207 Uiso 1 1 calc R U . . .
C21 C 1.3031(17) 0.6827(6) 0.9107(13) 0.173(9) Uani 1 1 d . . . . .
H21A H 1.272274 0.690290 0.876246 0.259 Uiso 1 1 calc R U . . .
H21B H 1.360263 0.691357 0.908217 0.259 Uiso 1 1 calc R U . . .
H21C H 1.276624 0.692431 0.945464 0.259 Uiso 1 1 calc R U . . .
C22 C 1.1610(17) 0.5793(7) 0.9089(12) 0.131(10) Uani 1 1 d D . . . .
H22A H 1.159969 0.602123 0.930082 0.158 Uiso 1 1 calc R U . . .
H22B H 1.109712 0.577035 0.885634 0.158 Uiso 1 1 calc R U . . .
C23 C 1.170(3) 0.5510(11) 0.9466(17) 0.28(3) Uani 1 1 d D . . . .
H23A H 1.216093 0.554737 0.974081 0.339 Uiso 1 1 calc R U . . .
H23B H 1.177972 0.528344 0.925635 0.339 Uiso 1 1 calc R U . . .
C24 C 1.085(2) 0.5524(12) 0.9772(16) 0.27(2) Uani 1 1 d . . . . .
H24A H 1.041332 0.545080 0.950084 0.398 Uiso 1 1 calc R U . . .
H24B H 1.073891 0.576749 0.990323 0.398 Uiso 1 1 calc R U . . .
H24C H 1.085185 0.536430 1.010684 0.398 Uiso 1 1 calc R U . . .
C25 C 0.7569(11) 0.7344(5) 0.7172(8) 0.057(5) Uani 1 1 d . . . . .
H25 H 0.739746 0.757885 0.708289 0.068 Uiso 1 1 calc R U . . .
C26 C 0.8361(11) 0.7237(4) 0.7188(7) 0.052(5) Uani 1 1 d . . . . .
H26 H 0.883186 0.737932 0.710395 0.062 Uiso 1 1 calc R U . . .
C27 C 0.6012(10) 0.6169(4) 0.7696(7) 0.041(4) Uani 1 1 d . . . . .
H27 H 0.545251 0.609619 0.774522 0.049 Uiso 1 1 calc R U . . .
C28 C 0.6706(11) 0.5965(4) 0.7726(8) 0.053(5) Uani 1 1 d . . . . .
H28 H 0.669051 0.571566 0.778940 0.064 Uiso 1 1 calc R U . . .
C29 C 0.7610(10) 0.6823(5) 0.7425(8) 0.051(5) Uani 1 1 d . . . . .
C30 C 0.7143(11) 0.6462(5) 0.7583(8) 0.051(5) Uani 1 1 d . . . . .
C31 C 0.4770(12) 0.6605(6) 0.6121(13) 0.122(11) Uani 1 1 d . . . . .
H31A H 0.486175 0.649721 0.573483 0.146 Uiso 1 1 calc R U . . .
H31B H 0.461869 0.641419 0.639508 0.146 Uiso 1 1 calc R U . . .
C32 C 0.4034(13) 0.6889(7) 0.6083(12) 0.138(10) Uani 1 1 d . . . . .
H32A H 0.418545 0.707757 0.580398 0.165 Uiso 1 1 calc R U . . .
H32B H 0.395457 0.700052 0.646737 0.165 Uiso 1 1 calc R U . . .
C33 C 0.3182(15) 0.6706(10) 0.5881(14) 0.26(2) Uani 1 1 d . . . . .
H33A H 0.272638 0.687658 0.592411 0.387 Uiso 1 1 calc R U . . .
H33B H 0.307256 0.649751 0.612261 0.387 Uiso 1 1 calc R U . . .
H33C H 0.322655 0.663410 0.547460 0.387 Uiso 1 1 calc R U . . .
C34 C 0.5907(14) 0.7163(5) 0.5869(9) 0.096(8) Uani 1 1 d . . . . .
H34A H 0.552258 0.736036 0.595766 0.115 Uiso 1 1 calc R U . . .
H34B H 0.647559 0.724985 0.594340 0.115 Uiso 1 1 calc R U . . .
C35 C 0.5834(16) 0.7080(6) 0.5219(9) 0.118(9) Uani 1 1 d . . . . .
H35A H 0.527558 0.698686 0.512673 0.142 Uiso 1 1 calc R U . . .
H35B H 0.625143 0.690059 0.510299 0.142 Uiso 1 1 calc R U . . .
C36 C 0.600(2) 0.7463(9) 0.4873(13) 0.25(2) Uani 1 1 d . . . . .
H36A H 0.554888 0.750644 0.459866 0.375 Uiso 1 1 calc R U . . .
H36B H 0.652759 0.744925 0.466144 0.375 Uiso 1 1 calc R U . . .
H36C H 0.602638 0.765669 0.515500 0.375 Uiso 1 1 calc R U . . .
C37 C 0.6508(12) 0.6463(5) 0.6159(8) 0.078(7) Uani 1 1 d . . . . .
H37A H 0.655229 0.629740 0.649085 0.093 Uiso 1 1 calc R U . . .
H37B H 0.628088 0.632538 0.582925 0.093 Uiso 1 1 calc R U . . .
C38 C 0.7330(13) 0.6568(5) 0.6006(8) 0.078(6) Uani 1 1 d . . . . .
H38A H 0.752386 0.675517 0.627486 0.094 Uiso 1 1 calc R U . . .
H38B H 0.733163 0.666716 0.560821 0.094 Uiso 1 1 calc R U . . .
C39 C 0.7901(12) 0.6256(6) 0.6035(9) 0.087(7) Uani 1 1 d . . . . .
H39A H 0.771485 0.609414 0.634018 0.131 Uiso 1 1 calc R U . . .
H39B H 0.846404 0.633837 0.612205 0.131 Uiso 1 1 calc R U . . .
H39C H 0.789944 0.613240 0.566143 0.131 Uiso 1 1 calc R U . . .
C40 C 0.4997(14) 0.7388(6) 0.8700(11) 0.120(9) Uani 1 1 d . . . . .
H40A H 0.456097 0.720345 0.869457 0.144 Uiso 1 1 calc R U . . .
H40B H 0.513803 0.742583 0.911325 0.144 Uiso 1 1 calc R U . . .
C41 C 0.4624(19) 0.7685(8) 0.8531(15) 0.241(19) Uani 1 1 d . . . . .
H41A H 0.455713 0.766778 0.810529 0.290 Uiso 1 1 calc R U . . .
H41B H 0.502105 0.788078 0.860214 0.290 Uiso 1 1 calc R U . . .
C42 C 0.3811(17) 0.7805(9) 0.8766(9) 0.22(2) Uani 1 1 d . . . . .
H42A H 0.342123 0.784151 0.844543 0.323 Uiso 1 1 calc R U . . .
H42B H 0.388482 0.802786 0.897789 0.323 Uiso 1 1 calc R U . . .
H42C H 0.359086 0.762336 0.902875 0.323 Uiso 1 1 calc R U . . .
C43 C 0.6781(13) 0.7503(6) 0.8502(12) 0.129(9) Uani 1 1 d . . . . .
H43A H 0.730180 0.736726 0.845315 0.155 Uiso 1 1 calc R U . . .
H43B H 0.676117 0.768125 0.818764 0.155 Uiso 1 1 calc R U . . .
C44 C 0.683(2) 0.7686(8) 0.9028(15) 0.193(11) Uani 1 1 d . . . . .
H44A H 0.691401 0.752332 0.936057 0.232 Uiso 1 1 calc R U . . .
H44B H 0.634002 0.783670 0.909723 0.232 Uiso 1 1 calc R U . . .
C45 C 0.7729(18) 0.7941(7) 0.8882(14) 0.193(11) Uani 1 1 d . . . . .
H45A H 0.756527 0.817877 0.875312 0.290 Uiso 1 1 calc R U . . .
H45B H 0.805503 0.782543 0.857723 0.290 Uiso 1 1 calc R U . . .
H45C H 0.806453 0.796043 0.923497 0.290 Uiso 1 1 calc R U . . .
C46 C 0.6261(17) 0.6831(8) 0.8898(13) 0.153(11) Uani 1 1 d . . . . .
H46A H 0.667853 0.667771 0.870823 0.183 Uiso 1 1 calc R U . . .
H46B H 0.651040 0.693840 0.924892 0.183 Uiso 1 1 calc R U . . .
C47 C 0.5544(16) 0.6636(6) 0.9041(11) 0.119(8) Uani 1 1 d . . . . .
H47A H 0.526458 0.654747 0.868680 0.143 Uiso 1 1 calc R U . . .
H47B H 0.514951 0.678269 0.926464 0.143 Uiso 1 1 calc R U . . .
C48 C 0.5912(15) 0.6287(7) 0.9454(12) 0.145(10) Uani 1 1 d . . . . .
H48A H 0.569204 0.630668 0.984916 0.217 Uiso 1 1 calc R U . . .
H48B H 0.651860 0.629593 0.946611 0.217 Uiso 1 1 calc R U . . .
H48C H 0.573310 0.606217 0.928260 0.217 Uiso 1 1 calc R U . . .
C49 C 0.5513(10) 0.9819(4) 0.6658(7) 0.040(4) Uani 1 1 d . . . . .
H49 H 0.569194 1.004885 0.654194 0.048 Uiso 1 1 calc R U . . .
C50 C 0.4706(10) 0.9692(4) 0.6669(7) 0.038(4) Uani 1 1 d . . . . .
H50 H 0.423097 0.982117 0.654624 0.045 Uiso 1 1 calc R U . . .
C51 C 0.6912(15) 0.8662(5) 0.7475(11) 0.090(8) Uani 1 1 d . . . . .
H51 H 0.746212 0.859796 0.757801 0.108 Uiso 1 1 calc R U . . .
C52 C 0.6295(11) 0.8440(5) 0.7505(7) 0.053(6) Uani 1 1 d . . . . .
H52 H 0.630899 0.819610 0.760655 0.064 Uiso 1 1 calc R U . . .
C53 C 0.5496(9) 0.9268(4) 0.6977(7) 0.038(4) Uani 1 1 d . . . . .
C54 C 0.5909(14) 0.8962(5) 0.7216(9) 0.076(7) Uani 1 1 d . . . . .
C55 C 0.8485(16) 0.9418(8) 0.5715(10) 0.137(12) Uani 1 1 d . . . . .
H55A H 0.849142 0.932340 0.531472 0.164 Uiso 1 1 calc R U . . .
H55B H 0.840587 0.967799 0.568533 0.164 Uiso 1 1 calc R U . . .
C56 C 0.9256(15) 0.9359(8) 0.5952(14) 0.141(12) Uani 1 1 d . . . . .
H56A H 0.936696 0.910132 0.597140 0.170 Uiso 1 1 calc R U . . .
H56B H 0.927645 0.945638 0.635022 0.170 Uiso 1 1 calc R U . . .
C57 C 0.9913(15) 0.9540(8) 0.5576(11) 0.151(14) Uani 1 1 d . . . . .
H57A H 0.974963 0.952549 0.516780 0.227 Uiso 1 1 calc R U . . .
H57B H 1.044705 0.942125 0.563078 0.227 Uiso 1 1 calc R U . . .
H57C H 0.996221 0.979007 0.568977 0.227 Uiso 1 1 calc R U . . .
C58 C 0.6765(15) 0.9321(5) 0.5539(9) 0.096(8) Uani 1 1 d . . . . .
H58A H 0.692324 0.917565 0.519877 0.116 Uiso 1 1 calc R U . . .
H58B H 0.623900 0.921937 0.568589 0.116 Uiso 1 1 calc R U . . .
C59 C 0.6570(12) 0.9651(6) 0.5326(10) 0.089(7) Uani 1 1 d . . . . .
H59A H 0.706865 0.975604 0.514460 0.107 Uiso 1 1 calc R U . . .
H59B H 0.640152 0.980636 0.565136 0.107 Uiso 1 1 calc R U . . .
C60 C 0.5848(16) 0.9637(7) 0.4865(10) 0.115(8) Uani 1 1 d . . . . .
H60A H 0.600396 0.947735 0.454808 0.172 Uiso 1 1 calc R U . . .
H60B H 0.575157 0.987599 0.471011 0.172 Uiso 1 1 calc R U . . .
H60C H 0.534078 0.955016 0.505005 0.172 Uiso 1 1 calc R U . . .
C61 C 0.775(2) 0.8774(7) 0.6078(15) 0.176(8) Uani 1 1 d D . . . .
H61A H 0.828727 0.874627 0.587167 0.211 Uiso 1 1 calc R U . . .
H61B H 0.785024 0.870027 0.648364 0.211 Uiso 1 1 calc R U . . .
C62 C 0.7220(18) 0.8533(7) 0.5843(14) 0.176(8) Uani 1 1 d D . . . .
H62A H 0.712520 0.859983 0.543313 0.211 Uiso 1 1 calc R U . . .
H62B H 0.668199 0.855595 0.604616 0.211 Uiso 1 1 calc R U . . .
C63 C 0.7462(19) 0.8154(6) 0.5856(13) 0.176(8) Uani 1 1 d . . . . .
H63A H 0.749564 0.807354 0.625960 0.264 Uiso 1 1 calc R U . . .
H63B H 0.800397 0.812539 0.566995 0.264 Uiso 1 1 calc R U . . .
H63C H 0.704809 0.801278 0.564851 0.264 Uiso 1 1 calc R U . . .
C64 C 0.7865(11) 0.9905(4) 0.8399(7) 0.050(5) Uani 1 1 d . . . . .
H64A H 0.767603 0.998121 0.878828 0.059 Uiso 1 1 calc R U . . .
H64B H 0.827200 0.971157 0.845284 0.059 Uiso 1 1 calc R U . . .
C65 C 0.8315(11) 1.0232(5) 0.8090(9) 0.072(6) Uani 1 1 d . . . . .
H65A H 0.853839 1.015494 0.771058 0.087 Uiso 1 1 calc R U . . .
H65B H 0.790765 1.042377 0.801892 0.087 Uiso 1 1 calc R U . . .
C66 C 0.9026(11) 1.0376(5) 0.8467(9) 0.073(6) Uani 1 1 d . . . . .
H66A H 0.884061 1.039296 0.887075 0.109 Uiso 1 1 calc R U . . .
H66B H 0.918886 1.061153 0.832804 0.109 Uiso 1 1 calc R U . . .
H66C H 0.950124 1.021456 0.844311 0.109 Uiso 1 1 calc R U . . .
C67 C 0.6245(11) 1.0111(4) 0.7973(7) 0.049(5) Uani 1 1 d . . . . .
H67A H 0.644222 1.028611 0.768391 0.059 Uiso 1 1 calc R U . . .
H67B H 0.570965 1.001579 0.783193 0.059 Uiso 1 1 calc R U . . .
C68 C 0.6097(12) 1.0300(5) 0.8534(7) 0.060(5) Uani 1 1 d . . . . .
H68A H 0.660880 1.042143 0.866329 0.072 Uiso 1 1 calc R U . . .
H68B H 0.592792 1.012881 0.883792 0.072 Uiso 1 1 calc R U . . .
C69 C 0.5388(12) 1.0578(5) 0.8424(10) 0.076(6) Uani 1 1 d . . . . .
H69A H 0.554893 1.073582 0.810569 0.114 Uiso 1 1 calc R U . . .
H69B H 0.529686 1.071780 0.877600 0.114 Uiso 1 1 calc R U . . .
H69C H 0.487592 1.045289 0.832057 0.114 Uiso 1 1 calc R U . . .
C70 C 0.6515(11) 0.9449(4) 0.8534(9) 0.065(6) Uani 1 1 d . . . . .
H70A H 0.630405 0.959369 0.885976 0.078 Uiso 1 1 calc R U . . .
H70B H 0.603354 0.933236 0.834759 0.078 Uiso 1 1 calc R U . . .
C71 C 0.7075(13) 0.9170(6) 0.8769(11) 0.108(9) Uani 1 1 d . . . . .
H71A H 0.748327 0.928051 0.903319 0.130 Uiso 1 1 calc R U . . .
H71B H 0.738398 0.905838 0.844538 0.130 Uiso 1 1 calc R U . . .
C72 C 0.6567(13) 0.8869(5) 0.9114(11) 0.111(8) Uani 1 1 d . . . . .
H72A H 0.616080 0.898197 0.936982 0.166 Uiso 1 1 calc R U . . .
H72B H 0.695216 0.872633 0.934549 0.166 Uiso 1 1 calc R U . . .
H72C H 0.627953 0.871551 0.883596 0.166 Uiso 1 1 calc R U . . .
C73 C 0.1024(9) 0.8835(4) 0.6875(6) 0.039(4) Uani 1 1 d . . . . .
H73 H 0.045767 0.890181 0.684869 0.046 Uiso 1 1 calc R U . . .
C74 C 0.1688(11) 0.9064(5) 0.6851(6) 0.043(5) Uani 1 1 d . . . . .
H74 H 0.166759 0.931381 0.679127 0.051 Uiso 1 1 calc R U . . .
C75 C 0.2570(11) 0.7615(5) 0.7192(8) 0.065(6) Uani 1 1 d . . . . .
H75 H 0.239729 0.737746 0.725897 0.078 Uiso 1 1 calc R U . . .
C76 C 0.3370(12) 0.7732(5) 0.7190(8) 0.062(6) Uani 1 1 d . . . . .
H76 H 0.385125 0.758903 0.722926 0.075 Uiso 1 1 calc R U . . .
C77 C 0.2135(10) 0.8523(4) 0.7017(8) 0.045(5) Uani 1 1 d . . . . .
C78 C 0.2531(9) 0.8205(4) 0.7066(7) 0.034(4) Uani 1 1 d . U . . .
C79 C 0.0271(17) 0.7545(8) 0.5629(11) 0.206(18) Uani 1 1 d . . . . .
H79A H 0.038344 0.753901 0.520753 0.247 Uiso 1 1 calc R U . . .
H79B H 0.051527 0.732711 0.579676 0.247 Uiso 1 1 calc R U . . .
C80 C -0.0539(19) 0.7524(9) 0.5697(16) 0.27(2) Uani 1 1 d . . . . .
H80A H -0.080357 0.770588 0.544943 0.329 Uiso 1 1 calc R U . . .
H80B H -0.067315 0.758220 0.610497 0.329 Uiso 1 1 calc R U . . .
C81 C -0.092(2) 0.7168(9) 0.5555(12) 0.24(2) Uani 1 1 d . . . . .
H81A H -0.081313 0.700231 0.587404 0.366 Uiso 1 1 calc R U . . .
H81B H -0.067092 0.707571 0.519801 0.366 Uiso 1 1 calc R U . . .
H81C H -0.151740 0.719590 0.550166 0.366 Uiso 1 1 calc R U . . .
C82 C 0.065(3) 0.8322(11) 0.5514(12) 0.280(15) Uani 1 1 d . . . . .
H82A H 0.013033 0.841166 0.569238 0.337 Uiso 1 1 calc R U . . .
H82B H 0.108532 0.848549 0.565227 0.337 Uiso 1 1 calc R U . . .
C83 C 0.056(3) 0.8424(9) 0.4951(12) 0.280(15) Uani 1 1 d . . . . .
H83A H 0.006795 0.829283 0.480420 0.337 Uiso 1 1 calc R U . . .
H83B H 0.104223 0.832649 0.474315 0.337 Uiso 1 1 calc R U . . .
C84 C 0.047(3) 0.8749(11) 0.4767(15) 0.280(15) Uani 1 1 d . . . . .
H84A H 0.042296 0.874865 0.434312 0.421 Uiso 1 1 calc R U . . .
H84B H 0.095641 0.888894 0.488123 0.421 Uiso 1 1 calc R U . . .
H84C H -0.002883 0.885352 0.493648 0.421 Uiso 1 1 calc R U . . .
C85 C 0.1933(18) 0.7823(9) 0.5707(14) 0.183(13) Uani 1 1 d D U . . .
H85A H 0.221056 0.805599 0.567487 0.219 Uiso 1 1 calc R U . . .
H85B H 0.218263 0.770552 0.604929 0.219 Uiso 1 1 calc R U . . .
C86 C 0.225(3) 0.7612(13) 0.5193(17) 0.33(2) Uani 1 1 d D U . . .
H86A H 0.191248 0.768960 0.485705 0.396 Uiso 1 1 calc R U . . .
H86B H 0.209193 0.736215 0.526872 0.396 Uiso 1 1 calc R U . . .
C87 C 0.319(2) 0.7600(10) 0.4967(18) 0.252(19) Uani 1 1 d D U . . .
H87A H 0.333730 0.783057 0.479907 0.377 Uiso 1 1 calc R U . . .
H87B H 0.324676 0.741479 0.467190 0.377 Uiso 1 1 calc R U . . .
H87C H 0.356015 0.754803 0.529308 0.377 Uiso 1 1 calc R U . . .
C88 C 0.0475(17) 0.7643(6) 0.8420(11) 0.135(11) Uani 1 1 d . . . . .
H88A H 0.033280 0.769733 0.882760 0.162 Uiso 1 1 calc R U . . .
H88B H -0.002214 0.753578 0.823965 0.162 Uiso 1 1 calc R U . . .
C89 C 0.1151(15) 0.7366(6) 0.8423(15) 0.156(12) Uani 1 1 d . . . . .
H89A H 0.163966 0.746551 0.862588 0.187 Uiso 1 1 calc R U . . .
H89B H 0.131732 0.731846 0.801726 0.187 Uiso 1 1 calc R U . . .
C90 C 0.092(3) 0.7004(7) 0.8717(13) 0.30(3) Uani 1 1 d . . . . .
H90A H 0.141091 0.685266 0.874145 0.449 Uiso 1 1 calc R U . . .
H90B H 0.049171 0.688369 0.848580 0.449 Uiso 1 1 calc R U . . .
H90C H 0.070326 0.704803 0.910817 0.449 Uiso 1 1 calc R U . . .
C91 C -0.0205(11) 0.8345(5) 0.8304(8) 0.057(5) Uani 1 1 d . . . . .
H91A H -0.016603 0.857756 0.810489 0.068 Uiso 1 1 calc R U . . .
H91B H -0.071752 0.822983 0.816185 0.068 Uiso 1 1 calc R U . . .
C92 C -0.0322(14) 0.8416(6) 0.8900(10) 0.109(9) Uani 1 1 d . . . . .
H92A H 0.019324 0.852039 0.905797 0.131 Uiso 1 1 calc R U . . .
H92B H -0.042082 0.818876 0.910381 0.131 Uiso 1 1 calc R U . . .
C93 C -0.1016(13) 0.8658(6) 0.9025(11) 0.124(10) Uani 1 1 d . . . . .
H93A H -0.080327 0.887391 0.920925 0.185 Uiso 1 1 calc R U . . .
H93B H -0.140884 0.854077 0.928592 0.185 Uiso 1 1 calc R U . . .
H93C H -0.129683 0.872043 0.866218 0.185 Uiso 1 1 calc R U . . .
C94 C 0.1601(11) 0.8216(5) 0.8391(8) 0.070(5) Uani 1 1 d . . . . .
H94A H 0.160039 0.813065 0.879700 0.084 Uiso 1 1 calc R U . . .
H94B H 0.208525 0.810933 0.819320 0.084 Uiso 1 1 calc R U . . .
C95 C 0.1695(14) 0.8615(5) 0.8390(7) 0.078(7) Uani 1 1 d . . . . .
H95A H 0.133103 0.872241 0.868844 0.093 Uiso 1 1 calc R U . . .
H95B H 0.153768 0.871298 0.800729 0.093 Uiso 1 1 calc R U . . .
C96 C 0.2686(14) 0.8708(6) 0.8534(10) 0.098(8) Uani 1 1 d . . . . .
H96A H 0.298318 0.848785 0.862247 0.146 Uiso 1 1 calc R U . . .
H96B H 0.271651 0.886842 0.886777 0.146 Uiso 1 1 calc R U . . .
H96C H 0.293909 0.882232 0.819594 0.146 Uiso 1 1 calc R U . . .
Cl1 Cl 1.3599(3) 0.56890(14) 0.7340(3) 0.0771(16) Uani 1 1 d . . . . .
Cl2 Cl 1.2547(3) 0.49334(12) 0.8026(2) 0.0555(13) Uani 1 1 d . . . . .
Cl3 Cl 0.5511(3) 0.75985(11) 0.7087(3) 0.0718(15) Uani 1 1 d . . . . .
Cl4 Cl 0.4421(3) 0.68010(15) 0.7581(2) 0.0766(18) Uani 1 1 d . . . . .
Cl5 Cl 0.7574(3) 1.00524(11) 0.6679(2) 0.0478(11) Uani 1 1 d . . . . .
Cl6 Cl 0.8581(3) 0.92872(13) 0.7382(2) 0.0601(13) Uani 1 1 d . . . . .
Cl7 Cl -0.0601(3) 0.82017(13) 0.6892(2) 0.0579(13) Uani 1 1 d . . . . .
Cl8 Cl 0.0489(3) 0.73740(11) 0.7045(3) 0.0802(16) Uani 1 1 d . . . . .
N1 N 1.1761(10) 0.6001(4) 0.7447(7) 0.068(5) Uani 1 1 d . . . . .
N2 N 1.0611(7) 0.6369(3) 0.7356(6) 0.049(4) Uani 1 1 d . . . . .
N3 N 1.1001(8) 0.5446(4) 0.7824(6) 0.046(4) Uani 1 1 d . . . . .
N4 N 0.9700(8) 0.5652(4) 0.7806(6) 0.044(4) Uani 1 1 d . . . . .
N5 N 0.7064(8) 0.7085(4) 0.7294(7) 0.055(4) Uani 1 1 d . . . . .
N6 N 0.8374(9) 0.6891(4) 0.7343(7) 0.060(5) Uani 1 1 d . . . . .
N7 N 0.6302(8) 0.6500(3) 0.7578(5) 0.032(3) Uani 1 1 d . . . . .
N8 N 0.7413(8) 0.6147(4) 0.7658(6) 0.042(4) Uani 1 1 d . . . . .
N9 N 0.6005(7) 0.9541(3) 0.6854(5) 0.036(4) Uani 1 1 d . . . . .
N10 N 0.4697(7) 0.9359(3) 0.6879(6) 0.040(4) Uani 1 1 d . . . . .
N11 N 0.6704(9) 0.8995(3) 0.7284(7) 0.046(4) Uani 1 1 d . . . . .
N12 N 0.5602(10) 0.8647(4) 0.7353(7) 0.071(5) Uani 1 1 d . . . . .
N13 N 0.1302(8) 0.8503(3) 0.6942(6) 0.043(4) Uani 1 1 d . . . . .
N14 N 0.2397(8) 0.8856(4) 0.6931(6) 0.042(4) Uani 1 1 d . . . . .
N15 N 0.2031(8) 0.7912(3) 0.7076(7) 0.054(4) Uani 1 1 d . . . . .
N16 N 0.3357(8) 0.8106(3) 0.7121(6) 0.041(4) Uani 1 1 d . . . . .
P1 P 1.1974(3) 0.52616(14) 0.6696(2) 0.0593(15) Uani 1 1 d . . . . .
P2 P 1.2565(3) 0.57562(15) 0.8616(3) 0.0712(17) Uani 1 1 d . . . . .
P3 P 0.5704(4) 0.68187(15) 0.6360(2) 0.0677(16) Uani 1 1 d . . . . .
P4 P 0.5889(3) 0.71846(14) 0.8387(2) 0.0672(15) Uani 1 1 d . . . . .
P5 P 0.7540(3) 0.92277(15) 0.6094(3) 0.0677(17) Uani 1 1 d . . . . .
P6 P 0.7008(3) 0.97394(14) 0.8011(2) 0.0497(13) Uani 1 1 d . . . . .
P7 P 0.0849(4) 0.79295(18) 0.5935(3) 0.089(2) Uani 1 1 d . . . . .
P8 P 0.0684(3) 0.80707(14) 0.8045(3) 0.0668(17) Uani 1 1 d . . . . .
Re1 Re 1.22621(5) 0.55160(2) 0.76567(4) 0.0496(2) Uani 1 1 d . . . . .
Re2 Re 0.57832(4) 0.70008(2) 0.73823(4) 0.0522(2) Uani 1 1 d . . . . .
Re3 Re 0.72657(4) 0.94765(2) 0.70555(3) 0.03981(18) Uani 1 1 d . . . . .
Re4 Re 0.07792(4) 0.79955(2) 0.70037(4) 0.04809(19) Uani 1 1 d . . . . .


_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 N2 2.037(12) . ?
Ag1 N6 2.083(15) . ?
Ag1 Ag2 2.9855(19) . ?
Ag2 N8 2.069(13) . ?
Ag2 N4 2.089(13) . ?
Ag3 N10 2.083(12) . ?
Ag3 N14 2.095(13) . ?
Ag3 Ag4 2.9815(18) . ?
Ag4 N16 2.084(13) . ?
Ag4 N12 2.116(14) . ?
C1 C2 1.30(2) . ?
C1 N1 1.40(2) . ?
C1 H1 0.9500 . ?
C2 N2 1.41(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.31(2) . ?
C3 N3 1.34(2) . ?
C3 H3 0.9500 . ?
C4 N4 1.41(2) . ?
C4 H4 0.9500 . ?
C5 N2 1.374(17) . ?
C5 C6 1.39(2) . ?
C5 N1 1.44(2) . ?
C6 N4 1.338(18) . ?
C6 N3 1.357(19) . ?
C7 C8 1.46(2) . ?
C7 P1 1.87(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.55(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.37(3) . ?
C10 P1 1.92(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.76(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.52(3) . ?
C13 P1 1.821(19) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.52(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.37(3) . ?
C16 P2 1.78(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.59(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.40(3) . ?
C19 P2 1.820(18) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.55(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.38(2) . ?
C22 P2 1.89(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.54(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 N5 1.302(19) . ?
C25 C26 1.34(2) . ?
C25 H25 0.9500 . ?
C26 N6 1.35(2) . ?
C26 H26 0.9500 . ?
C27 N7 1.362(18) . ?
C27 C28 1.36(2) . ?
C27 H27 0.9500 . ?
C28 N8 1.340(19) . ?
C28 C30 2.03(2) . ?
C28 H28 0.9500 . ?
C29 N6 1.27(2) . ?
C29 N5 1.357(19) . ?
C29 C30 1.60(2) . ?
C30 N8 1.28(2) . ?
C30 N7 1.36(2) . ?
C31 C32 1.60(3) . ?
C31 P3 1.79(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.61(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.54(3) . ?
C34 P3 1.75(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.67(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.43(2) . ?
C37 P3 1.92(2) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.49(2) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.33(2) . ?
C40 P4 1.78(2) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.49(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.40(4) . ?
C43 P4 1.89(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.77(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.41(3) . ?
C46 P4 1.88(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.73(3) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.39(2) . ?
C49 N9 1.389(18) . ?
C49 H49 0.9500 . ?
C50 N10 1.345(19) . ?
C50 H50 0.9500 . ?
C51 C52 1.30(2) . ?
C51 N11 1.37(2) . ?
C51 H51 0.9500 . ?
C52 N12 1.41(2) . ?
C52 H52 0.9500 . ?
C53 N9 1.348(18) . ?
C53 N10 1.353(18) . ?
C53 C54 1.44(2) . ?
C54 N11 1.30(2) . ?
C54 N12 1.32(2) . ?
C55 C56 1.38(3) . ?
C55 P5 1.90(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.53(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.37(3) . ?
C58 P5 1.82(2) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.58(3) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.36(2) . ?
C61 P5 1.74(3) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.48(3) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C65 1.60(2) . ?
C64 P6 1.762(17) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.54(2) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.50(2) . ?
C67 P6 1.868(17) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.57(2) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.49(2) . ?
C70 P6 1.814(16) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.61(3) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 N13 1.338(18) . ?
C73 C74 1.38(2) . ?
C73 H73 0.9500 . ?
C74 N14 1.401(19) . ?
C74 H74 0.9500 . ?
C75 C76 1.36(2) . ?
C75 N15 1.44(2) . ?
C75 H75 0.9500 . ?
C76 N16 1.42(2) . ?
C76 H76 0.9500 . ?
C77 N14 1.339(19) . ?
C77 N13 1.358(18) . ?
C77 C78 1.36(2) . ?
C78 N15 1.366(18) . ?
C78 N16 1.389(19) . ?
C79 C80 1.32(2) . ?
C79 P7 1.86(2) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.51(4) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C83 1.36(3) . ?
C82 P7 1.80(3) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.30(2) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C86 1.52(2) . ?
C85 P7 1.87(3) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.61(3) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.51(3) . ?
C88 P8 1.86(2) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.57(3) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.41(2) . ?
C91 P8 1.867(18) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.47(3) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C95 1.51(2) . ?
C94 P8 1.769(17) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.67(3) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
Cl1 Re1 2.369(5) . ?
Cl2 Re1 2.399(5) . ?
Cl3 Re2 2.393(4) . ?
Cl4 Re2 2.367(5) . ?
Cl5 Re3 2.389(4) . ?
Cl6 Re3 2.362(5) . ?
Cl7 Re4 2.372(4) . ?
Cl8 Re4 2.390(4) . ?
N1 Re1 2.056(16) . ?
N3 Re1 2.087(14) . ?
N5 Re2 2.100(13) . ?
N7 Re2 2.112(12) . ?
N9 Re3 2.101(12) . ?
N11 Re3 2.095(12) . ?
N13 Re4 2.093(12) . ?
N15 Re4 2.051(13) . ?
P1 Re1 2.459(6) . ?
P2 Re1 2.440(6) . ?
P3 Re2 2.459(6) . ?
P4 Re2 2.425(6) . ?
P5 Re3 2.448(5) . ?
P6 Re3 2.451(5) . ?
P7 Re4 2.482(6) . ?
P8 Re4 2.423(6) . ?

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 Ag1 N6 172.9(6) . . ?
N2 Ag1 Ag2 94.3(3) . . ?
N6 Ag1 Ag2 92.8(4) . . ?
N8 Ag2 N4 171.8(6) . . ?
N8 Ag2 Ag1 95.4(4) . . ?
N4 Ag2 Ag1 92.7(4) . . ?
N10 Ag3 N14 172.7(5) . . ?
N10 Ag3 Ag4 92.6(4) . . ?
N14 Ag3 Ag4 94.5(4) . . ?
N16 Ag4 N12 172.9(5) . . ?
N16 Ag4 Ag3 92.7(3) . . ?
N12 Ag4 Ag3 93.9(4) . . ?
C2 C1 N1 108.2(18) . . ?
C2 C1 H1 125.9 . . ?
N1 C1 H1 125.9 . . ?
C1 C2 N2 114.0(18) . . ?
C1 C2 H2 123.0 . . ?
N2 C2 H2 123.0 . . ?
C4 C3 N3 110.8(16) . . ?
C4 C3 H3 124.6 . . ?
N3 C3 H3 124.6 . . ?
C3 C4 N4 108.6(16) . . ?
C3 C4 H4 125.7 . . ?
N4 C4 H4 125.7 . . ?
N2 C5 C6 135.8(15) . . ?
N2 C5 N1 111.2(13) . . ?
C6 C5 N1 113.0(14) . . ?
N4 C6 N3 112.4(15) . . ?
N4 C6 C5 130.5(16) . . ?
N3 C6 C5 117.0(15) . . ?
C8 C7 P1 118.9(18) . . ?
C8 C7 H7A 107.6 . . ?
P1 C7 H7A 107.6 . . ?
C8 C7 H7B 107.6 . . ?
P1 C7 H7B 107.6 . . ?
H7A C7 H7B 107.0 . . ?
C7 C8 C9 115.4(18) . . ?
C7 C8 H8A 108.4 . . ?
C9 C8 H8A 108.4 . . ?
C7 C8 H8B 108.4 . . ?
C9 C8 H8B 108.4 . . ?
H8A C8 H8B 107.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 P1 112(2) . . ?
C11 C10 H10A 109.2 . . ?
P1 C10 H10A 109.2 . . ?
C11 C10 H10B 109.2 . . ?
P1 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 C12 104(2) . . ?
C10 C11 H11A 111.0 . . ?
C12 C11 H11A 111.0 . . ?
C10 C11 H11B 111.0 . . ?
C12 C11 H11B 111.0 . . ?
H11A C11 H11B 109.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 121.5(15) . . ?
C14 C13 H13A 106.9 . . ?
P1 C13 H13A 106.9 . . ?
C14 C13 H13B 106.9 . . ?
P1 C13 H13B 106.9 . . ?
H13A C13 H13B 106.7 . . ?
C15 C14 C13 112.9(18) . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 P2 122(2) . . ?
C17 C16 H16A 106.8 . . ?
P2 C16 H16A 106.8 . . ?
C17 C16 H16B 106.8 . . ?
P2 C16 H16B 106.8 . . ?
H16A C16 H16B 106.6 . . ?
C16 C17 C18 117(3) . . ?
C16 C17 H17A 108.0 . . ?
C18 C17 H17A 108.0 . . ?
C16 C17 H17B 108.0 . . ?
C18 C17 H17B 108.0 . . ?
H17A C17 H17B 107.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P2 125(2) . . ?
C20 C19 H19A 106.0 . . ?
P2 C19 H19A 106.0 . . ?
C20 C19 H19B 106.0 . . ?
P2 C19 H19B 106.0 . . ?
H19A C19 H19B 106.3 . . ?
C19 C20 C21 118(3) . . ?
C19 C20 H20A 107.9 . . ?
C21 C20 H20A 107.9 . . ?
C19 C20 H20B 107.9 . . ?
C21 C20 H20B 107.9 . . ?
H20A C20 H20B 107.2 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 P2 103(2) . . ?
C23 C22 H22A 111.2 . . ?
P2 C22 H22A 111.2 . . ?
C23 C22 H22B 111.2 . . ?
P2 C22 H22B 111.2 . . ?
H22A C22 H22B 109.1 . . ?
C22 C23 C24 100(3) . . ?
C22 C23 H23A 111.8 . . ?
C24 C23 H23A 111.8 . . ?
C22 C23 H23B 111.8 . . ?
C24 C23 H23B 111.8 . . ?
H23A C23 H23B 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N5 C25 C26 111.4(17) . . ?
N5 C25 H25 124.3 . . ?
C26 C25 H25 124.3 . . ?
C25 C26 N6 108.1(16) . . ?
C25 C26 H26 125.9 . . ?
N6 C26 H26 125.9 . . ?
N7 C27 C28 104.2(15) . . ?
N7 C27 H27 127.9 . . ?
C28 C27 H27 127.9 . . ?
N8 C28 C27 113.9(16) . . ?
N8 C28 C30 38.1(9) . . ?
C27 C28 C30 75.9(12) . . ?
N8 C28 H28 123.0 . . ?
C27 C28 H28 123.0 . . ?
C30 C28 H28 161.1 . . ?
N6 C29 N5 116.6(16) . . ?
N6 C29 C30 131.6(17) . . ?
N5 C29 C30 111.3(14) . . ?
N8 C30 N7 116.0(16) . . ?
N8 C30 C29 131.5(17) . . ?
N7 C30 C29 112.2(15) . . ?
N8 C30 C28 40.3(9) . . ?
N7 C30 C28 75.7(11) . . ?
C29 C30 C28 171.0(15) . . ?
C32 C31 P3 110.0(15) . . ?
C32 C31 H31A 109.7 . . ?
P3 C31 H31A 109.7 . . ?
C32 C31 H31B 109.7 . . ?
P3 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 C33 112(2) . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32B 109.3 . . ?
C33 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P3 117.8(14) . . ?
C35 C34 H34A 107.9 . . ?
P3 C34 H34A 107.9 . . ?
C35 C34 H34B 107.8 . . ?
P3 C34 H34B 107.8 . . ?
H34A C34 H34B 107.2 . . ?
C34 C35 C36 106(2) . . ?
C34 C35 H35A 110.5 . . ?
C36 C35 H35A 110.5 . . ?
C34 C35 H35B 110.5 . . ?
C36 C35 H35B 110.5 . . ?
H35A C35 H35B 108.7 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 P3 119.5(14) . . ?
C38 C37 H37A 107.4 . . ?
P3 C37 H37A 107.4 . . ?
C38 C37 H37B 107.4 . . ?
P3 C37 H37B 107.4 . . ?
H37A C37 H37B 107.0 . . ?
C37 C38 C39 110.1(16) . . ?
C37 C38 H38A 109.6 . . ?
C39 C38 H38A 109.6 . . ?
C37 C38 H38B 109.6 . . ?
C39 C38 H38B 109.6 . . ?
H38A C38 H38B 108.2 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 P4 127.5(18) . . ?
C41 C40 H40A 105.4 . . ?
P4 C40 H40A 105.4 . . ?
C41 C40 H40B 105.4 . . ?
P4 C40 H40B 105.4 . . ?
H40A C40 H40B 106.0 . . ?
C40 C41 C42 123(2) . . ?
C40 C41 H41A 106.5 . . ?
C42 C41 H41A 106.5 . . ?
C40 C41 H41B 106.5 . . ?
C42 C41 H41B 106.5 . . ?
H41A C41 H41B 106.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 P4 119(2) . . ?
C44 C43 H43A 107.6 . . ?
P4 C43 H43A 107.6 . . ?
C44 C43 H43B 107.6 . . ?
P4 C43 H43B 107.6 . . ?
H43A C43 H43B 107.1 . . ?
C43 C44 C45 99(3) . . ?
C43 C44 H44A 112.0 . . ?
C45 C44 H44A 112.0 . . ?
C43 C44 H44B 112.0 . . ?
C45 C44 H44B 112.0 . . ?
H44A C44 H44B 109.7 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 P4 105(2) . . ?
C47 C46 H46A 110.8 . . ?
P4 C46 H46A 110.8 . . ?
C47 C46 H46B 110.8 . . ?
P4 C46 H46B 110.8 . . ?
H46A C46 H46B 108.9 . . ?
C46 C47 C48 104(2) . . ?
C46 C47 H47A 110.9 . . ?
C48 C47 H47A 110.9 . . ?
C46 C47 H47B 110.9 . . ?
C48 C47 H47B 110.9 . . ?
H47A C47 H47B 108.9 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 N9 105.7(13) . . ?
C50 C49 H49 127.1 . . ?
N9 C49 H49 127.1 . . ?
N10 C50 C49 109.7(14) . . ?
N10 C50 H50 125.1 . . ?
C49 C50 H50 125.1 . . ?
C52 C51 N11 114.6(19) . . ?
C52 C51 H51 122.7 . . ?
N11 C51 H51 122.7 . . ?
C51 C52 N12 103.9(17) . . ?
C51 C52 H52 128.0 . . ?
N12 C52 H52 128.0 . . ?
N9 C53 N10 110.5(14) . . ?
N9 C53 C54 114.2(15) . . ?
N10 C53 C54 135.1(16) . . ?
N11 C54 N12 115.3(18) . . ?
N11 C54 C53 115.2(19) . . ?
N12 C54 C53 129(2) . . ?
C56 C55 P5 119(2) . . ?
C56 C55 H55A 107.6 . . ?
P5 C55 H55A 107.6 . . ?
C56 C55 H55B 107.6 . . ?
P5 C55 H55B 107.6 . . ?
H55A C55 H55B 107.0 . . ?
C55 C56 C57 109(3) . . ?
C55 C56 H56A 109.8 . . ?
C57 C56 H56A 109.8 . . ?
C55 C56 H56B 109.8 . . ?
C57 C56 H56B 109.8 . . ?
H56A C56 H56B 108.3 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 P5 125.6(18) . . ?
C59 C58 H58A 105.9 . . ?
P5 C58 H58A 105.9 . . ?
C59 C58 H58B 105.9 . . ?
P5 C58 H58B 105.9 . . ?
H58A C58 H58B 106.2 . . ?
C58 C59 C60 112(2) . . ?
C58 C59 H59A 109.1 . . ?
C60 C59 H59A 109.1 . . ?
C58 C59 H59B 109.1 . . ?
C60 C59 H59B 109.1 . . ?
H59A C59 H59B 107.9 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 P5 123(2) . . ?
C62 C61 H61A 106.7 . . ?
P5 C61 H61A 106.7 . . ?
C62 C61 H61B 106.7 . . ?
P5 C61 H61B 106.7 . . ?
H61A C61 H61B 106.6 . . ?
C61 C62 C63 118(3) . . ?
C61 C62 H62A 107.8 . . ?
C63 C62 H62A 107.8 . . ?
C61 C62 H62B 107.8 . . ?
C63 C62 H62B 107.8 . . ?
H62A C62 H62B 107.2 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 P6 113.8(12) . . ?
C65 C64 H64A 108.8 . . ?
P6 C64 H64A 108.8 . . ?
C65 C64 H64B 108.8 . . ?
P6 C64 H64B 108.8 . . ?
H64A C64 H64B 107.7 . . ?
C66 C65 C64 111.0(17) . . ?
C66 C65 H65A 109.4 . . ?
C64 C65 H65A 109.4 . . ?
C66 C65 H65B 109.4 . . ?
C64 C65 H65B 109.4 . . ?
H65A C65 H65B 108.0 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 P6 114.9(13) . . ?
C68 C67 H67A 108.5 . . ?
P6 C67 H67A 108.5 . . ?
C68 C67 H67B 108.5 . . ?
P6 C67 H67B 108.5 . . ?
H67A C67 H67B 107.5 . . ?
C67 C68 C69 107.0(15) . . ?
C67 C68 H68A 110.3 . . ?
C69 C68 H68A 110.3 . . ?
C67 C68 H68B 110.3 . . ?
C69 C68 H68B 110.3 . . ?
H68A C68 H68B 108.6 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 P6 113.7(14) . . ?
C71 C70 H70A 108.8 . . ?
P6 C70 H70A 108.8 . . ?
C71 C70 H70B 108.8 . . ?
P6 C70 H70B 108.8 . . ?
H70A C70 H70B 107.7 . . ?
C70 C71 C72 111.6(16) . . ?
C70 C71 H71A 109.3 . . ?
C72 C71 H71A 109.3 . . ?
C70 C71 H71B 109.3 . . ?
C72 C71 H71B 109.3 . . ?
H71A C71 H71B 108.0 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N13 C73 C74 109.4(14) . . ?
N13 C73 H73 125.3 . . ?
C74 C73 H73 125.3 . . ?
C73 C74 N14 106.2(15) . . ?
C73 C74 H74 126.9 . . ?
N14 C74 H74 126.9 . . ?
C76 C75 N15 108.5(15) . . ?
C76 C75 H75 125.7 . . ?
N15 C75 H75 125.7 . . ?
C75 C76 N16 107.9(16) . . ?
C75 C76 H76 126.0 . . ?
N16 C76 H76 126.0 . . ?
N14 C77 N13 110.3(15) . . ?
N14 C77 C78 133.5(16) . . ?
N13 C77 C78 115.2(14) . . ?
C77 C78 N15 115.7(14) . . ?
C77 C78 N16 133.9(15) . . ?
N15 C78 N16 110.4(13) . . ?
C80 C79 P7 120(2) . . ?
C80 C79 H79A 107.3 . . ?
P7 C79 H79A 107.3 . . ?
C80 C79 H79B 107.3 . . ?
P7 C79 H79B 107.3 . . ?
H79A C79 H79B 106.9 . . ?
C79 C80 C81 116(3) . . ?
C79 C80 H80A 108.4 . . ?
C81 C80 H80A 108.4 . . ?
C79 C80 H80B 108.4 . . ?
C81 C80 H80B 108.4 . . ?
H80A C80 H80B 107.5 . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 P7 140(3) . . ?
C83 C82 H82A 102.1 . . ?
P7 C82 H82A 102.1 . . ?
C83 C82 H82B 102.1 . . ?
P7 C82 H82B 102.1 . . ?
H82A C82 H82B 104.8 . . ?
C82 C83 C84 126(3) . . ?
C82 C83 H83A 105.8 . . ?
C84 C83 H83A 105.8 . . ?
C82 C83 H83B 105.8 . . ?
C84 C83 H83B 105.8 . . ?
H83A C83 H83B 106.2 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C86 C85 P7 130(3) . . ?
C86 C85 H85A 104.7 . . ?
P7 C85 H85A 104.7 . . ?
C86 C85 H85B 104.7 . . ?
P7 C85 H85B 104.7 . . ?
H85A C85 H85B 105.7 . . ?
C85 C86 C87 126(4) . . ?
C85 C86 H86A 105.8 . . ?
C87 C86 H86A 105.8 . . ?
C85 C86 H86B 105.8 . . ?
C87 C86 H86B 105.8 . . ?
H86A C86 H86B 106.2 . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C89 C88 P8 118.1(18) . . ?
C89 C88 H88A 107.8 . . ?
P8 C88 H88A 107.8 . . ?
C89 C88 H88B 107.8 . . ?
P8 C88 H88B 107.8 . . ?
H88A C88 H88B 107.1 . . ?
C88 C89 C90 115(2) . . ?
C88 C89 H89A 108.4 . . ?
C90 C89 H89A 108.4 . . ?
C88 C89 H89B 108.4 . . ?
C90 C89 H89B 108.4 . . ?
H89A C89 H89B 107.5 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 P8 121.3(17) . . ?
C92 C91 H91A 107.0 . . ?
P8 C91 H91A 107.0 . . ?
C92 C91 H91B 107.0 . . ?
P8 C91 H91B 107.0 . . ?
H91A C91 H91B 106.8 . . ?
C91 C92 C93 114(2) . . ?
C91 C92 H92A 108.7 . . ?
C93 C92 H92A 108.7 . . ?
C91 C92 H92B 108.7 . . ?
C93 C92 H92B 108.7 . . ?
H92A C92 H92B 107.6 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C94 P8 113.0(13) . . ?
C95 C94 H94A 109.0 . . ?
P8 C94 H94A 109.0 . . ?
C95 C94 H94B 109.0 . . ?
P8 C94 H94B 109.0 . . ?
H94A C94 H94B 107.8 . . ?
C94 C95 C96 107.7(17) . . ?
C94 C95 H95A 110.2 . . ?
C96 C95 H95A 110.2 . . ?
C94 C95 H95B 110.2 . . ?
C96 C95 H95B 110.2 . . ?
H95A C95 H95B 108.5 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C1 N1 C5 103.6(15) . . ?
C1 N1 Re1 139.6(13) . . ?
C5 N1 Re1 116.4(11) . . ?
C5 N2 C2 102.1(13) . . ?
C5 N2 Ag1 131.8(10) . . ?
C2 N2 Ag1 126.1(11) . . ?
C3 N3 C6 104.6(14) . . ?
C3 N3 Re1 138.6(11) . . ?
C6 N3 Re1 116.6(11) . . ?
C6 N4 C4 103.5(14) . . ?
C6 N4 Ag2 134.5(12) . . ?
C4 N4 Ag2 121.9(11) . . ?
C25 N5 C29 100.8(15) . . ?
C25 N5 Re2 138.5(13) . . ?
C29 N5 Re2 120.5(11) . . ?
C29 N6 C26 102.8(15) . . ?
C29 N6 Ag1 135.2(14) . . ?
C26 N6 Ag1 122.0(12) . . ?
C30 N7 C27 104.1(14) . . ?
C30 N7 Re2 119.4(11) . . ?
C27 N7 Re2 136.5(11) . . ?
C30 N8 C28 101.6(14) . . ?
C30 N8 Ag2 133.0(13) . . ?
C28 N8 Ag2 125.3(12) . . ?
C53 N9 C49 107.2(13) . . ?
C53 N9 Re3 117.0(10) . . ?
C49 N9 Re3 135.5(10) . . ?
C50 N10 C53 106.7(13) . . ?
C50 N10 Ag3 120.0(11) . . ?
C53 N10 Ag3 133.1(11) . . ?
C54 N11 C51 101.0(16) . . ?
C54 N11 Re3 118.8(13) . . ?
C51 N11 Re3 140.1(14) . . ?
C54 N12 C52 104.9(17) . . ?
C54 N12 Ag4 133.3(14) . . ?
C52 N12 Ag4 120.0(11) . . ?
C73 N13 C77 107.1(13) . . ?
C73 N13 Re4 136.6(11) . . ?
C77 N13 Re4 116.2(11) . . ?
C77 N14 C74 106.6(14) . . ?
C77 N14 Ag3 131.9(12) . . ?
C74 N14 Ag3 121.5(11) . . ?
C78 N15 C75 105.8(13) . . ?
C78 N15 Re4 117.2(10) . . ?
C75 N15 Re4 136.7(11) . . ?
C78 N16 C76 107.0(13) . . ?
C78 N16 Ag4 132.2(10) . . ?
C76 N16 Ag4 120.4(11) . . ?
C13 P1 C7 103.5(9) . . ?
C13 P1 C10 98.0(10) . . ?
C7 P1 C10 110.9(12) . . ?
C13 P1 Re1 113.6(7) . . ?
C7 P1 Re1 115.4(8) . . ?
C10 P1 Re1 113.7(8) . . ?
C16 P2 C19 105.5(11) . . ?
C16 P2 C22 109.9(14) . . ?
C19 P2 C22 94.5(10) . . ?
C16 P2 Re1 116.1(9) . . ?
C19 P2 Re1 115.8(9) . . ?
C22 P2 Re1 112.8(9) . . ?
C34 P3 C31 106.8(11) . . ?
C34 P3 C37 103.5(9) . . ?
C31 P3 C37 100.4(10) . . ?
C34 P3 Re2 113.8(7) . . ?
C31 P3 Re2 117.6(10) . . ?
C37 P3 Re2 113.0(7) . . ?
C40 P4 C46 108.0(13) . . ?
C40 P4 C43 106.5(11) . . ?
C46 P4 C43 96.8(12) . . ?
C40 P4 Re2 116.9(9) . . ?
C46 P4 Re2 114.9(10) . . ?
C43 P4 Re2 111.7(9) . . ?
C61 P5 C58 107.9(11) . . ?
C61 P5 C55 101.6(16) . . ?
C58 P5 C55 98.9(12) . . ?
C61 P5 Re3 115.5(12) . . ?
C58 P5 Re3 116.0(7) . . ?
C55 P5 Re3 114.7(8) . . ?
C64 P6 C70 102.7(9) . . ?
C64 P6 C67 106.0(8) . . ?
C70 P6 C67 101.2(8) . . ?
C64 P6 Re3 117.9(6) . . ?
C70 P6 Re3 115.4(7) . . ?
C67 P6 Re3 111.9(5) . . ?
C82 P7 C85 101.2(17) . . ?
C82 P7 C79 110.2(17) . . ?
C85 P7 C79 101.3(13) . . ?
C82 P7 Re4 116.5(11) . . ?
C85 P7 Re4 110.1(11) . . ?
C79 P7 Re4 115.6(9) . . ?
C94 P8 C88 102.1(11) . . ?
C94 P8 C91 109.1(9) . . ?
C88 P8 C91 101.1(9) . . ?
C94 P8 Re4 115.5(7) . . ?
C88 P8 Re4 111.8(9) . . ?
C91 P8 Re4 115.5(6) . . ?
N1 Re1 N3 76.8(6) . . ?
N1 Re1 Cl1 92.4(5) . . ?
N3 Re1 Cl1 168.3(4) . . ?
N1 Re1 Cl2 166.4(5) . . ?
N3 Re1 Cl2 90.4(4) . . ?
Cl1 Re1 Cl2 100.76(17) . . ?
N1 Re1 P2 87.8(5) . . ?
N3 Re1 P2 94.2(4) . . ?
Cl1 Re1 P2 89.8(2) . . ?
Cl2 Re1 P2 88.81(19) . . ?
N1 Re1 P1 93.5(5) . . ?
N3 Re1 P1 86.2(4) . . ?
Cl1 Re1 P1 90.1(2) . . ?
Cl2 Re1 P1 89.96(17) . . ?
P2 Re1 P1 178.70(19) . . ?
N5 Re2 N7 76.4(5) . . ?
N5 Re2 Cl4 168.4(4) . . ?
N7 Re2 Cl4 92.5(4) . . ?
N5 Re2 Cl3 90.7(4) . . ?
N7 Re2 Cl3 166.8(4) . . ?
Cl4 Re2 Cl3 100.59(17) . . ?
N5 Re2 P4 88.9(5) . . ?
N7 Re2 P4 91.3(3) . . ?
Cl4 Re2 P4 88.3(2) . . ?
Cl3 Re2 P4 90.92(18) . . ?
N5 Re2 P3 90.0(5) . . ?
N7 Re2 P3 88.6(3) . . ?
Cl4 Re2 P3 92.8(2) . . ?
Cl3 Re2 P3 88.87(19) . . ?
P4 Re2 P3 178.9(2) . . ?
N11 Re3 N9 74.8(5) . . ?
N11 Re3 Cl6 92.7(4) . . ?
N9 Re3 Cl6 167.3(4) . . ?
N11 Re3 Cl5 165.4(4) . . ?
N9 Re3 Cl5 90.9(3) . . ?
Cl6 Re3 Cl5 101.71(16) . . ?
N11 Re3 P5 88.5(4) . . ?
N9 Re3 P5 91.1(4) . . ?
Cl6 Re3 P5 90.62(19) . . ?
Cl5 Re3 P5 88.92(18) . . ?
N11 Re3 P6 92.9(4) . . ?
N9 Re3 P6 89.3(4) . . ?
Cl6 Re3 P6 89.29(17) . . ?
Cl5 Re3 P6 89.70(16) . . ?
P5 Re3 P6 178.56(19) . . ?
N15 Re4 N13 75.4(5) . . ?
N15 Re4 Cl7 169.5(4) . . ?
N13 Re4 Cl7 94.1(4) . . ?
N15 Re4 Cl8 92.3(4) . . ?
N13 Re4 Cl8 167.4(4) . . ?
Cl7 Re4 Cl8 98.13(16) . . ?
N15 Re4 P8 90.0(5) . . ?
N13 Re4 P8 89.2(4) . . ?
Cl7 Re4 P8 90.57(17) . . ?
Cl8 Re4 P8 93.6(2) . . ?
N15 Re4 P7 91.2(5) . . ?
N13 Re4 P7 90.3(4) . . ?
Cl7 Re4 P7 88.1(2) . . ?
Cl8 Re4 P7 87.1(2) . . ?
P8 Re4 P7 178.6(2) . . ?

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
N1 C1 C2 N2 -10(3) . . . . ?
N3 C3 C4 N4 3(2) . . . . ?
N2 C5 C6 N4 -3(3) . . . . ?
N1 C5 C6 N4 179.2(17) . . . . ?
N2 C5 C6 N3 -177.9(16) . . . . ?
N1 C5 C6 N3 5(2) . . . . ?
P1 C7 C8 C9 170.5(15) . . . . ?
P1 C10 C11 C12 -164.1(16) . . . . ?
P1 C13 C14 C15 -171.5(15) . . . . ?
P2 C16 C17 C18 169.2(17) . . . . ?
P2 C19 C20 C21 -167.6(17) . . . . ?
P2 C22 C23 C24 -172(3) . . . . ?
N5 C25 C26 N6 -2(2) . . . . ?
N7 C27 C28 N8 2(2) . . . . ?
N7 C27 C28 C30 2.2(12) . . . . ?
N6 C29 C30 N8 -1(4) . . . . ?
N5 C29 C30 N8 170.0(19) . . . . ?
N6 C29 C30 N7 -174.2(19) . . . . ?
N5 C29 C30 N7 -3(2) . . . . ?
P3 C31 C32 C33 -178.9(19) . . . . ?
P3 C34 C35 C36 176.4(18) . . . . ?
P3 C37 C38 C39 163.6(14) . . . . ?
P4 C40 C41 C42 171(2) . . . . ?
P4 C43 C44 C45 -178.3(17) . . . . ?
P4 C46 C47 C48 174.5(15) . . . . ?
N9 C49 C50 N10 2.1(18) . . . . ?
N11 C51 C52 N12 -4(3) . . . . ?
N9 C53 C54 N11 1(3) . . . . ?
N10 C53 C54 N11 -173.7(19) . . . . ?
N9 C53 C54 N12 -176.0(19) . . . . ?
N10 C53 C54 N12 10(4) . . . . ?
P5 C55 C56 C57 -179.4(19) . . . . ?
P5 C58 C59 C60 -178.0(16) . . . . ?
P5 C61 C62 C63 -180(3) . . . . ?
P6 C64 C65 C66 177.0(13) . . . . ?
P6 C67 C68 C69 -175.2(12) . . . . ?
P6 C70 C71 C72 -167.1(16) . . . . ?
N13 C73 C74 N14 -2.4(18) . . . . ?
N15 C75 C76 N16 5(2) . . . . ?
N14 C77 C78 N15 -171.6(19) . . . . ?
N13 C77 C78 N15 -5(2) . . . . ?
N14 C77 C78 N16 10(4) . . . . ?
N13 C77 C78 N16 176.8(17) . . . . ?
P7 C79 C80 C81 -167(3) . . . . ?
P7 C82 C83 C84 -174(4) . . . . ?
P7 C85 C86 C87 167(3) . . . . ?
P8 C88 C89 C90 -177(2) . . . . ?
P8 C91 C92 C93 175.7(14) . . . . ?
P8 C94 C95 C96 -162.6(13) . . . . ?
C2 C1 N1 C5 9(3) . . . . ?
C2 C1 N1 Re1 -179.2(19) . . . . ?
N2 C5 N1 C1 -6(2) . . . . ?
C6 C5 N1 C1 172.3(16) . . . . ?
N2 C5 N1 Re1 -179.7(11) . . . . ?
C6 C5 N1 Re1 -1.6(17) . . . . ?
C6 C5 N2 C2 -177(2) . . . . ?
N1 C5 N2 C2 0(2) . . . . ?
C6 C5 N2 Ag1 5(3) . . . . ?
N1 C5 N2 Ag1 -177.6(12) . . . . ?
C1 C2 N2 C5 6(3) . . . . ?
C1 C2 N2 Ag1 -175.8(18) . . . . ?
C4 C3 N3 C6 -4(2) . . . . ?
C4 C3 N3 Re1 -177.4(14) . . . . ?
N4 C6 N3 C3 4(2) . . . . ?
C5 C6 N3 C3 179.4(15) . . . . ?
N4 C6 N3 Re1 178.9(11) . . . . ?
C5 C6 N3 Re1 -5.5(19) . . . . ?
N3 C6 N4 C4 -2.1(19) . . . . ?
C5 C6 N4 C4 -176.9(17) . . . . ?
N3 C6 N4 Ag2 -179.0(11) . . . . ?
C5 C6 N4 Ag2 6(3) . . . . ?
C3 C4 N4 C6 -1(2) . . . . ?
C3 C4 N4 Ag2 176.9(12) . . . . ?
C26 C25 N5 C29 4(2) . . . . ?
C26 C25 N5 Re2 179.1(14) . . . . ?
N6 C29 N5 C25 -6(2) . . . . ?
C30 C29 N5 C25 -178.8(15) . . . . ?
N6 C29 N5 Re2 177.9(13) . . . . ?
C30 C29 N5 Re2 5(2) . . . . ?
N5 C29 N6 C26 5(2) . . . . ?
C30 C29 N6 C26 176.1(19) . . . . ?
N5 C29 N6 Ag1 -171.9(13) . . . . ?
C30 C29 N6 Ag1 -1(3) . . . . ?
C25 C26 N6 C29 -2(2) . . . . ?
C25 C26 N6 Ag1 175.5(12) . . . . ?
N8 C30 N7 C27 3(2) . . . . ?
C29 C30 N7 C27 177.6(14) . . . . ?
C28 C30 N7 C27 2.2(12) . . . . ?
N8 C30 N7 Re2 -174.6(12) . . . . ?
C29 C30 N7 Re2 -0.5(19) . . . . ?
C28 C30 N7 Re2 -175.9(10) . . . . ?
C28 C27 N7 C30 -3.3(18) . . . . ?
C28 C27 N7 Re2 174.3(12) . . . . ?
N7 C30 N8 C28 -2(2) . . . . ?
C29 C30 N8 C28 -175(2) . . . . ?
N7 C30 N8 Ag2 -179.4(11) . . . . ?
C29 C30 N8 Ag2 8(3) . . . . ?
C28 C30 N8 Ag2 -177(2) . . . . ?
C27 C28 N8 C30 0(2) . . . . ?
C27 C28 N8 Ag2 177.3(12) . . . . ?
C30 C28 N8 Ag2 178(2) . . . . ?
N10 C53 N9 C49 -1.1(18) . . . . ?
C54 C53 N9 C49 -176.9(15) . . . . ?
N10 C53 N9 Re3 173.9(10) . . . . ?
C54 C53 N9 Re3 -1.9(19) . . . . ?
C50 C49 N9 C53 -0.6(17) . . . . ?
C50 C49 N9 Re3 -174.2(11) . . . . ?
C49 C50 N10 C53 -2.8(19) . . . . ?
C49 C50 N10 Ag3 -178.0(10) . . . . ?
N9 C53 N10 C50 2.4(19) . . . . ?
C54 C53 N10 C50 177(2) . . . . ?
N9 C53 N10 Ag3 176.7(11) . . . . ?
C54 C53 N10 Ag3 -9(3) . . . . ?
N12 C54 N11 C51 1(2) . . . . ?
C53 C54 N11 C51 -176.2(18) . . . . ?
N12 C54 N11 Re3 178.1(13) . . . . ?
C53 C54 N11 Re3 1(2) . . . . ?
C52 C51 N11 C54 2(3) . . . . ?
C52 C51 N11 Re3 -174.2(15) . . . . ?
N11 C54 N12 C52 -3(2) . . . . ?
C53 C54 N12 C52 174(2) . . . . ?
N11 C54 N12 Ag4 -167.2(14) . . . . ?
C53 C54 N12 Ag4 9(4) . . . . ?
C51 C52 N12 C54 4(2) . . . . ?
C51 C52 N12 Ag4 170.5(15) . . . . ?
C74 C73 N13 C77 5.8(18) . . . . ?
C74 C73 N13 Re4 -178.6(12) . . . . ?
N14 C77 N13 C73 -7.2(19) . . . . ?
C78 C77 N13 C73 -177.2(15) . . . . ?
N14 C77 N13 Re4 176.1(11) . . . . ?
C78 C77 N13 Re4 6(2) . . . . ?
N13 C77 N14 C74 5.7(19) . . . . ?
C78 C77 N14 C74 173(2) . . . . ?
N13 C77 N14 Ag3 -176.5(11) . . . . ?
C78 C77 N14 Ag3 -9(3) . . . . ?
C73 C74 N14 C77 -2.0(18) . . . . ?
C73 C74 N14 Ag3 179.9(10) . . . . ?
C77 C78 N15 C75 -174.0(15) . . . . ?
N16 C78 N15 C75 5.0(19) . . . . ?
C77 C78 N15 Re4 1(2) . . . . ?
N16 C78 N15 Re4 179.8(11) . . . . ?
C76 C75 N15 C78 -6(2) . . . . ?
C76 C75 N15 Re4 -179.2(14) . . . . ?
C77 C78 N16 C76 176.4(19) . . . . ?
N15 C78 N16 C76 -2.3(18) . . . . ?
C77 C78 N16 Ag4 4(3) . . . . ?
N15 C78 N16 Ag4 -174.6(11) . . . . ?
C75 C76 N16 C78 -2(2) . . . . ?
C75 C76 N16 Ag4 171.9(12) . . . . ?
C14 C13 P1 C7 -43.8(19) . . . . ?
C14 C13 P1 C10 70.0(18) . . . . ?
C14 C13 P1 Re1 -169.6(14) . . . . ?
C8 C7 P1 C13 -66.6(18) . . . . ?
C8 C7 P1 C10 -170.8(16) . . . . ?
C8 C7 P1 Re1 58.1(18) . . . . ?
C17 C16 P2 C19 -62(2) . . . . ?
C17 C16 P2 C22 -163(2) . . . . ?
C17 C16 P2 Re1 67(2) . . . . ?
C20 C19 P2 C16 -47(2) . . . . ?
C20 C19 P2 C22 66(2) . . . . ?
C20 C19 P2 Re1 -176.4(19) . . . . ?
C23 C22 P2 C16 -27(3) . . . . ?
C23 C22 P2 C19 -135(3) . . . . ?
C23 C22 P2 Re1 104(3) . . . . ?
C35 C34 P3 C31 -46(2) . . . . ?
C35 C34 P3 C37 59.6(19) . . . . ?
C35 C34 P3 Re2 -177.3(15) . . . . ?
C32 C31 P3 C34 -57(2) . . . . ?
C32 C31 P3 C37 -164.8(18) . . . . ?
C32 C31 P3 Re2 72(2) . . . . ?
C41 C40 P4 C46 168(3) . . . . ?
C41 C40 P4 C43 65(3) . . . . ?
C41 C40 P4 Re2 -61(3) . . . . ?
C47 C46 P4 C40 48(2) . . . . ?
C47 C46 P4 C43 158(2) . . . . ?
C47 C46 P4 Re2 -84(2) . . . . ?
C44 C43 P4 C40 39(3) . . . . ?
C44 C43 P4 C46 -72(3) . . . . ?
C44 C43 P4 Re2 168(2) . . . . ?
C62 C61 P5 C58 -21(4) . . . . ?
C62 C61 P5 C55 -124(3) . . . . ?
C62 C61 P5 Re3 111(3) . . . . ?
C59 C58 P5 C61 -164(2) . . . . ?
C59 C58 P5 C55 -59(2) . . . . ?
C59 C58 P5 Re3 64(2) . . . . ?
C56 C55 P5 C61 -60(3) . . . . ?
C56 C55 P5 C58 -171(2) . . . . ?
C56 C55 P5 Re3 65(3) . . . . ?
C65 C64 P6 C70 -168.0(12) . . . . ?
C65 C64 P6 C67 -62.3(14) . . . . ?
C65 C64 P6 Re3 63.9(13) . . . . ?
C71 C70 P6 C64 -56.0(19) . . . . ?
C71 C70 P6 C67 -165.4(17) . . . . ?
C71 C70 P6 Re3 73.6(18) . . . . ?
C68 C67 P6 C64 -46.6(16) . . . . ?
C68 C67 P6 C70 60.3(15) . . . . ?
C68 C67 P6 Re3 -176.3(11) . . . . ?
C83 C82 P7 C85 66(6) . . . . ?
C83 C82 P7 C79 -40(6) . . . . ?
C83 C82 P7 Re4 -175(5) . . . . ?
C86 C85 P7 C82 -86(4) . . . . ?
C86 C85 P7 C79 28(4) . . . . ?
C86 C85 P7 Re4 151(4) . . . . ?
C80 C79 P7 C82 -73(3) . . . . ?
C80 C79 P7 C85 -180(3) . . . . ?
C80 C79 P7 Re4 62(3) . . . . ?
C95 C94 P8 C88 -152.6(14) . . . . ?
C95 C94 P8 C91 -46.2(15) . . . . ?
C95 C94 P8 Re4 85.8(13) . . . . ?
C89 C88 P8 C94 -55(2) . . . . ?
C89 C88 P8 C91 -168(2) . . . . ?
C89 C88 P8 Re4 69(2) . . . . ?
C92 C91 P8 C94 -46.6(18) . . . . ?
C92 C91 P8 C88 60.5(19) . . . . ?
C92 C91 P8 Re4 -178.7(14) . . . . ?

_refine_diff_density_max         2.532
_refine_diff_density_min         -1.482
_refine_diff_density_rms         0.135



####################################################################### 
# 
# 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_OsPPr3Cl2Agbim_dimer_100_sq
_database_code_depnum_ccdc_archive 'CCDC 1870901'
_audit_update_record             
;
2018-10-01 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H184 Ag4 Cl8 N16 Os4 P8'
_chemical_formula_weight         3286.22

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'
N N 0.0061 0.0033 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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'

_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                   16.5298(16)
_cell_length_b                   18.9862(19)
_cell_length_c                   24.131(2)
_cell_angle_alpha                77.147(2)
_cell_angle_beta                 72.7960(10)
_cell_angle_gamma                89.845(2)
_cell_volume                     7036.8(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8774
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.43

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_F_000             3240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.425
_shelx_estimated_absorpt_T_min   0.332
_shelx_estimated_absorpt_T_max   0.642
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.35
_exptl_absorpt_correction_T_max  0.64
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            37414
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.908
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             24555
_reflns_number_gt                18117
_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.1000P)²+0.8134P] 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         24555
_refine_ls_number_parameters     1225
_refine_ls_number_restraints     29
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_ref         0.1545
_refine_ls_wR_factor_gt          0.1371
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_restrained_S_all      0.964
_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
Ag1 Ag -0.03375(4) 0.62775(3) 0.27058(3) 0.02719(15) Uani 1 1 d . . . . .
Ag2 Ag 0.06829(4) 0.49892(3) 0.26590(3) 0.02855(15) Uani 1 1 d . . . . .
Ag3 Ag -0.53129(4) 0.00319(3) 0.26648(3) 0.03083(16) Uani 1 1 d . . . . .
Ag4 Ag -0.42959(4) 0.13475(3) 0.26098(3) 0.03055(16) Uani 1 1 d . . . . .
C1 C 0.1418(5) 0.8019(4) 0.2430(4) 0.0309(19) Uani 1 1 d . . . . .
H1 H 0.155044 0.852267 0.236572 0.037 Uiso 1 1 calc R U . . .
C2 C 0.0684(5) 0.7716(4) 0.2440(4) 0.031(2) Uani 1 1 d . . . . .
H2 H 0.020936 0.797493 0.238640 0.038 Uiso 1 1 calc R U . . .
C3 C 0.2975(5) 0.5635(4) 0.2922(4) 0.035(2) Uani 1 1 d . . . . .
H3 H 0.349456 0.552539 0.300468 0.042 Uiso 1 1 calc R U . . .
C4 C 0.2380(6) 0.5155(5) 0.2910(4) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.242944 0.464645 0.297188 0.049 Uiso 1 1 calc R U . . .
C5 C 0.1475(5) 0.6850(4) 0.2602(3) 0.0275(18) Uani 1 1 d . . . . .
C6 C 0.1893(5) 0.6213(4) 0.2724(4) 0.0286(19) Uani 1 1 d . . . . .
C7 C 0.4765(7) 0.7861(6) 0.1246(4) 0.054(3) Uani 1 1 d . . . . .
H7A H 0.471340 0.836564 0.129233 0.065 Uiso 1 1 calc R U . . .
H7B H 0.515623 0.763620 0.146444 0.065 Uiso 1 1 calc R U . . .
C8 C 0.5167(8) 0.7882(8) 0.0587(6) 0.086(4) Uani 1 1 d . . . . .
H8A H 0.526954 0.738247 0.053744 0.103 Uiso 1 1 calc R U . . .
H8B H 0.476754 0.807859 0.036551 0.103 Uiso 1 1 calc R U . . .
C9 C 0.5962(11) 0.8321(10) 0.0335(7) 0.152(8) Uani 1 1 d . . . . .
H9A H 0.604344 0.858002 0.062521 0.229 Uiso 1 1 calc R U . . .
H9B H 0.594898 0.867197 -0.002783 0.229 Uiso 1 1 calc R U . . .
H9C H 0.643127 0.800938 0.023570 0.229 Uiso 1 1 calc R U . . .
C10 C 0.3045(8) 0.7793(7) 0.1139(5) 0.072(3) Uani 1 1 d . . . . .
H10A H 0.322513 0.763437 0.075957 0.086 Uiso 1 1 calc R U . . .
H10B H 0.244966 0.760321 0.134692 0.086 Uiso 1 1 calc R U . . .
C11 C 0.3066(10) 0.8592(8) 0.0996(6) 0.090(4) Uani 1 1 d . . . . .
H11A H 0.364304 0.878825 0.074198 0.108 Uiso 1 1 calc R U . . .
H11B H 0.294755 0.876013 0.137052 0.108 Uiso 1 1 calc R U . . .
C12 C 0.2430(13) 0.8891(13) 0.0677(9) 0.209(12) Uani 1 1 d . . . . .
H12A H 0.249195 0.867478 0.033502 0.314 Uiso 1 1 calc R U . . .
H12B H 0.253318 0.941755 0.053804 0.314 Uiso 1 1 calc R U . . .
H12C H 0.185306 0.877259 0.095249 0.314 Uiso 1 1 calc R U . . .
C13 C 0.3793(7) 0.6483(6) 0.1413(5) 0.062(3) Uani 1 1 d . . . . .
H13A H 0.324792 0.619270 0.162059 0.074 Uiso 1 1 calc R U . . .
H13B H 0.388967 0.655549 0.097848 0.074 Uiso 1 1 calc R U . . .
C14 C 0.4488(7) 0.6071(7) 0.1575(6) 0.078(4) Uani 1 1 d . . . . .
H14A H 0.446433 0.607515 0.198900 0.094 Uiso 1 1 calc R U . . .
H14B H 0.504527 0.629899 0.130549 0.094 Uiso 1 1 calc R U . . .
C15 C 0.4379(9) 0.5251(6) 0.1516(6) 0.093(5) Uani 1 1 d . . . . .
H15A H 0.381089 0.504130 0.176185 0.139 Uiso 1 1 calc R U . . .
H15B H 0.480711 0.496502 0.165258 0.139 Uiso 1 1 calc R U . . .
H15C H 0.445313 0.524881 0.109847 0.139 Uiso 1 1 calc R U . . .
C16 C 0.3301(7) 0.7663(5) 0.4030(5) 0.056(3) Uani 1 1 d . . . . .
H16A H 0.298007 0.760860 0.445630 0.067 Uiso 1 1 calc R U . . .
H16B H 0.375605 0.732153 0.400995 0.067 Uiso 1 1 calc R U . . .
C17 C 0.3711(6) 0.8420(6) 0.3793(5) 0.053(3) Uani 1 1 d . . . . .
H17A H 0.326773 0.877205 0.379472 0.063 Uiso 1 1 calc R U . . .
H17B H 0.407477 0.847579 0.337555 0.063 Uiso 1 1 calc R U . . .
C18 C 0.4241(8) 0.8575(7) 0.4170(5) 0.065(3) Uani 1 1 d . . . . .
H18A H 0.387646 0.853936 0.457843 0.097 Uiso 1 1 calc R U . . .
H18B H 0.451734 0.906457 0.400377 0.097 Uiso 1 1 calc R U . . .
H18C H 0.467490 0.822228 0.417136 0.097 Uiso 1 1 calc R U . . .
C19 C 0.1735(6) 0.8003(7) 0.3777(5) 0.064(4) Uani 1 1 d . . . . .
H19A H 0.194055 0.846890 0.348251 0.077 Uiso 1 1 calc R U . . .
H19B H 0.125539 0.780176 0.368022 0.077 Uiso 1 1 calc R U . . .
C20 C 0.1384(8) 0.8171(8) 0.4392(6) 0.087(5) Uani 1 1 d . . . . .
H20A H 0.114781 0.771802 0.469457 0.104 Uiso 1 1 calc R U . . .
H20B H 0.184735 0.838230 0.449891 0.104 Uiso 1 1 calc R U . . .
C21 C 0.0693(8) 0.8701(10) 0.4388(8) 0.138(8) Uani 1 1 d . . . . .
H21A H 0.092896 0.914979 0.408976 0.207 Uiso 1 1 calc R U . . .
H21B H 0.047566 0.880715 0.478317 0.207 Uiso 1 1 calc R U . . .
H21C H 0.022984 0.848664 0.429002 0.207 Uiso 1 1 calc R U . . .
C22 C 0.2202(9) 0.6434(8) 0.4198(5) 0.089(5) Uani 1 1 d . . . . .
H22A H 0.262298 0.608222 0.407805 0.106 Uiso 1 1 calc R U . . .
H22B H 0.216824 0.646223 0.460857 0.106 Uiso 1 1 calc R U . . .
C23 C 0.1442(12) 0.6200(10) 0.4191(7) 0.147(9) Uani 1 1 d D . . . .
H23A H 0.143680 0.623719 0.377645 0.176 Uiso 1 1 calc R U . . .
H23B H 0.099140 0.648999 0.438333 0.176 Uiso 1 1 calc R U . . .
C24 C 0.1298(14) 0.5366(7) 0.4559(7) 0.163(10) Uani 1 1 d D . . . .
H24A H 0.177793 0.509797 0.438455 0.244 Uiso 1 1 calc R U . . .
H24B H 0.077238 0.515100 0.453912 0.244 Uiso 1 1 calc R U . . .
H24C H 0.125762 0.534326 0.497602 0.244 Uiso 1 1 calc R U . . .
C25 C -0.2860(5) 0.5488(4) 0.3021(4) 0.034(2) Uani 1 1 d . . . . .
H25 H -0.345083 0.555368 0.311147 0.041 Uiso 1 1 calc R U . . .
C26 C -0.2255(5) 0.5960(4) 0.3025(4) 0.037(2) Uani 1 1 d . . . . .
H26 H -0.235443 0.642183 0.311413 0.044 Uiso 1 1 calc R U . . .
C27 C -0.0879(5) 0.3434(4) 0.2365(4) 0.032(2) Uani 1 1 d . . . . .
H27 H -0.095723 0.298639 0.226813 0.038 Uiso 1 1 calc R U . . .
C28 C -0.0131(5) 0.3727(4) 0.2377(4) 0.034(2) Uani 1 1 d . . . . .
H28 H 0.039988 0.351578 0.228581 0.040 Uiso 1 1 calc R U . . .
C29 C -0.1631(5) 0.5028(4) 0.2791(4) 0.0244(17) Uani 1 1 d . . . . .
C30 C -0.1098(5) 0.4469(4) 0.2609(4) 0.0272(18) Uani 1 1 d . . . . .
C31 C -0.3195(6) 0.4421(6) 0.1241(4) 0.050(3) Uani 1 1 d . . . . .
H31A H -0.318331 0.389794 0.124728 0.060 Uiso 1 1 calc R U . . .
H31B H -0.377760 0.450862 0.146687 0.060 Uiso 1 1 calc R U . . .
C32 C -0.3007(8) 0.4852(7) 0.0585(5) 0.069(4) Uani 1 1 d . . . . .
H32A H -0.305934 0.537413 0.057349 0.083 Uiso 1 1 calc R U . . .
H32B H -0.241823 0.478621 0.035648 0.083 Uiso 1 1 calc R U . . .
C33 C -0.3615(10) 0.4598(10) 0.0303(6) 0.128(7) Uani 1 1 d . . . . .
H33A H -0.419810 0.459464 0.056112 0.192 Uiso 1 1 calc R U . . .
H33B H -0.349425 0.410702 0.025000 0.192 Uiso 1 1 calc R U . . .
H33C H -0.354890 0.492517 -0.008616 0.192 Uiso 1 1 calc R U . . .
C34 C -0.2441(6) 0.5628(5) 0.1517(4) 0.047(2) Uani 1 1 d . . . . .
H34A H -0.208942 0.577336 0.174621 0.056 Uiso 1 1 calc R U . . .
H34B H -0.215800 0.584859 0.108973 0.056 Uiso 1 1 calc R U . . .
C35 C -0.3308(6) 0.5944(5) 0.1702(5) 0.051(3) Uani 1 1 d . . . . .
H35A H -0.362722 0.588107 0.142549 0.061 Uiso 1 1 calc R U . . .
H35B H -0.363544 0.567342 0.210761 0.061 Uiso 1 1 calc R U . . .
C36 C -0.3226(7) 0.6725(5) 0.1696(5) 0.062(3) Uani 1 1 d . . . . .
H36A H -0.282804 0.680055 0.191128 0.093 Uiso 1 1 calc R U . . .
H36B H -0.378264 0.688293 0.188955 0.093 Uiso 1 1 calc R U . . .
H36C H -0.301434 0.700733 0.128261 0.093 Uiso 1 1 calc R U . . .
C37 C -0.1388(7) 0.4564(6) 0.1149(5) 0.063(3) Uani 1 1 d . . . . .
H37A H -0.126950 0.495344 0.078110 0.076 Uiso 1 1 calc R U . . .
H37B H -0.098064 0.465048 0.136012 0.076 Uiso 1 1 calc R U . . .
C38 C -0.1223(7) 0.3856(6) 0.0974(5) 0.061(3) Uani 1 1 d . . . . .
H38A H -0.154800 0.380326 0.069876 0.074 Uiso 1 1 calc R U . . .
H38B H -0.142242 0.345435 0.133379 0.074 Uiso 1 1 calc R U . . .
C39 C -0.0276(8) 0.3805(8) 0.0670(6) 0.101(5) Uani 1 1 d . . . . .
H39A H -0.014731 0.399308 0.023828 0.151 Uiso 1 1 calc R U . . .
H39B H -0.013551 0.329832 0.075142 0.151 Uiso 1 1 calc R U . . .
H39C H 0.006012 0.409188 0.082476 0.151 Uiso 1 1 calc R U . . .
C40 C -0.4063(8) 0.2805(6) 0.4009(5) 0.062(3) Uani 1 1 d . . . . .
H40A H -0.406264 0.256141 0.441679 0.074 Uiso 1 1 calc R U . . .
H40B H -0.449088 0.317134 0.404910 0.074 Uiso 1 1 calc R U . . .
C41 C -0.4345(7) 0.2265(6) 0.3745(5) 0.062(3) Uani 1 1 d . . . . .
H41A H -0.392090 0.189512 0.370283 0.074 Uiso 1 1 calc R U . . .
H41B H -0.436037 0.250467 0.334053 0.074 Uiso 1 1 calc R U . . .
C42 C -0.5227(8) 0.1878(6) 0.4108(5) 0.072(4) Uani 1 1 d . . . . .
H42A H -0.520967 0.161148 0.450111 0.108 Uiso 1 1 calc R U . . .
H42B H -0.537776 0.153941 0.389548 0.108 Uiso 1 1 calc R U . . .
H42C H -0.565237 0.223840 0.415586 0.108 Uiso 1 1 calc R U . . .
C43 C -0.2896(10) 0.3808(6) 0.4158(5) 0.079(4) Uani 1 1 d . . . . .
H43A H -0.282332 0.346843 0.451304 0.095 Uiso 1 1 calc R U . . .
H43B H -0.236680 0.412410 0.396457 0.095 Uiso 1 1 calc R U . . .
C44 C -0.3588(11) 0.4254(7) 0.4353(5) 0.099(5) Uani 1 1 d . . . . .
H44A H -0.408545 0.393852 0.462857 0.118 Uiso 1 1 calc R U . . .
H44B H -0.375044 0.451568 0.400254 0.118 Uiso 1 1 calc R U . . .
C45 C -0.3347(12) 0.4816(7) 0.4674(6) 0.111(6) Uani 1 1 d . . . . .
H45A H -0.320964 0.455910 0.503139 0.167 Uiso 1 1 calc R U . . .
H45B H -0.382797 0.511204 0.478979 0.167 Uiso 1 1 calc R U . . .
H45C H -0.285400 0.512945 0.440338 0.167 Uiso 1 1 calc R U . . .
C46 C -0.2252(7) 0.2590(5) 0.3676(5) 0.053(3) Uani 1 1 d . . . . .
H46A H -0.219646 0.234310 0.334721 0.064 Uiso 1 1 calc R U . . .
H46B H -0.169893 0.285684 0.359253 0.064 Uiso 1 1 calc R U . . .
C47 C -0.2372(10) 0.2021(7) 0.4227(5) 0.080(4) Uani 1 1 d . . . . .
H47A H -0.290434 0.172413 0.430952 0.096 Uiso 1 1 calc R U . . .
H47B H -0.242916 0.225055 0.456530 0.096 Uiso 1 1 calc R U . . .
C48 C -0.1642(9) 0.1535(7) 0.4180(6) 0.080(4) Uani 1 1 d . . . . .
H48A H -0.162444 0.126207 0.387661 0.121 Uiso 1 1 calc R U . . .
H48B H -0.171899 0.119630 0.456598 0.121 Uiso 1 1 calc R U . . .
H48C H -0.110760 0.183001 0.406696 0.121 Uiso 1 1 calc R U . . .
C49 C -0.7843(5) 0.0652(4) 0.3008(4) 0.034(2) Uani 1 1 d . . . . .
H49 H -0.843405 0.053826 0.310013 0.041 Uiso 1 1 calc R U . . .
C50 C -0.7230(5) 0.0165(5) 0.3028(4) 0.040(2) Uani 1 1 d . . . . .
H50 H -0.733048 -0.034670 0.314592 0.048 Uiso 1 1 calc R U . . .
C51 C -0.5861(5) 0.3066(4) 0.2293(4) 0.031(2) Uani 1 1 d . . . . .
H51 H -0.595073 0.356759 0.220596 0.037 Uiso 1 1 calc R U . . .
C52 C -0.5102(5) 0.2773(4) 0.2286(4) 0.0292(19) Uani 1 1 d . . . . .
H52 H -0.457232 0.303867 0.218398 0.035 Uiso 1 1 calc R U . . .
C53 C -0.6599(5) 0.1245(4) 0.2739(4) 0.0292(19) Uani 1 1 d . . . . .
C54 C -0.6066(5) 0.1892(4) 0.2550(4) 0.0266(18) Uani 1 1 d . . . . .
C55 C -0.8332(8) 0.2652(6) 0.1274(5) 0.064(3) Uani 1 1 d . . . . .
H55A H -0.889498 0.242209 0.152876 0.076 Uiso 1 1 calc R U . . .
H55B H -0.833810 0.317422 0.127207 0.076 Uiso 1 1 calc R U . . .
C56 C -0.8210(14) 0.2572(7) 0.0622(6) 0.130(8) Uani 1 1 d . . . . .
H56A H -0.764856 0.237300 0.049370 0.156 Uiso 1 1 calc R U . . .
H56B H -0.863680 0.218803 0.065625 0.156 Uiso 1 1 calc R U . . .
C57 C -0.8242(17) 0.3087(11) 0.0179(6) 0.225(15) Uani 1 1 d . . . . .
H57A H -0.780596 0.347263 0.010916 0.338 Uiso 1 1 calc R U . . .
H57B H -0.880331 0.328212 0.027064 0.338 Uiso 1 1 calc R U . . .
H57C H -0.814125 0.289607 -0.017941 0.338 Uiso 1 1 calc R U . . .
C58 C -0.7528(7) 0.1323(5) 0.1539(5) 0.050(3) Uani 1 1 d . . . . .
H58A H -0.726346 0.132345 0.111371 0.061 Uiso 1 1 calc R U . . .
H58B H -0.716077 0.106301 0.176357 0.061 Uiso 1 1 calc R U . . .
C59 C -0.8371(8) 0.0905(5) 0.1749(5) 0.061(3) Uani 1 1 d . . . . .
H59A H -0.870805 0.110877 0.148146 0.073 Uiso 1 1 calc R U . . .
H59B H -0.868005 0.096291 0.215419 0.073 Uiso 1 1 calc R U . . .
C60 C -0.8297(8) 0.0102(5) 0.1766(6) 0.078(4) Uani 1 1 d . . . . .
H60A H -0.806693 0.003597 0.135906 0.117 Uiso 1 1 calc R U . . .
H60B H -0.886008 -0.015336 0.195238 0.117 Uiso 1 1 calc R U . . .
H60C H -0.791791 -0.009368 0.199896 0.117 Uiso 1 1 calc R U . . .
C61 C -0.6532(7) 0.2633(6) 0.1091(5) 0.061(3) Uani 1 1 d . . . . .
H61A H -0.608439 0.242265 0.126123 0.074 Uiso 1 1 calc R U . . .
H61B H -0.646915 0.245607 0.072495 0.074 Uiso 1 1 calc R U . . .
C62 C -0.6344(6) 0.3454(5) 0.0902(5) 0.053(3) Uani 1 1 d . . . . .
H62A H -0.681747 0.367921 0.077088 0.063 Uiso 1 1 calc R U . . .
H62B H -0.631999 0.363288 0.125262 0.063 Uiso 1 1 calc R U . . .
C63 C -0.5532(10) 0.3694(7) 0.0411(8) 0.142(8) Uani 1 1 d . . . . .
H63A H -0.507193 0.341808 0.050958 0.212 Uiso 1 1 calc R U . . .
H63B H -0.540024 0.421146 0.036265 0.212 Uiso 1 1 calc R U . . .
H63C H -0.559235 0.361094 0.003800 0.212 Uiso 1 1 calc R U . . .
C64 C -0.8962(7) 0.2754(6) 0.4019(5) 0.063(3) Uani 1 1 d . . . . .
H64A H -0.939686 0.236476 0.407601 0.076 Uiso 1 1 calc R U . . .
H64B H -0.892930 0.277414 0.441839 0.076 Uiso 1 1 calc R U . . .
C65 C -0.9243(7) 0.3443(7) 0.3754(5) 0.071(4) Uani 1 1 d . . . . .
H65A H -0.927172 0.342715 0.335253 0.085 Uiso 1 1 calc R U . . .
H65B H -0.881623 0.383520 0.370346 0.085 Uiso 1 1 calc R U . . .
C66 C -1.0161(8) 0.3633(7) 0.4146(5) 0.081(4) Uani 1 1 d . . . . .
H66A H -1.059216 0.325623 0.418652 0.122 Uiso 1 1 calc R U . . .
H66B H -1.030930 0.410174 0.394707 0.122 Uiso 1 1 calc R U . . .
H66C H -1.013688 0.365707 0.454271 0.122 Uiso 1 1 calc R U . . .
C67 C -0.7780(8) 0.1672(6) 0.4116(5) 0.061(3) Uani 1 1 d . . . . .
H67A H -0.728260 0.144486 0.389862 0.073 Uiso 1 1 calc R U . . .
H67B H -0.765123 0.180253 0.445665 0.073 Uiso 1 1 calc R U . . .
C68 C -0.8536(9) 0.1140(6) 0.4344(5) 0.073(4) Uani 1 1 d . . . . .
H68A H -0.874160 0.107977 0.400985 0.087 Uiso 1 1 calc R U . . .
H68B H -0.900073 0.131675 0.463464 0.087 Uiso 1 1 calc R U . . .
C69 C -0.8272(10) 0.0404(7) 0.4648(6) 0.091(5) Uani 1 1 d . . . . .
H69A H -0.797956 0.014795 0.434268 0.137 Uiso 1 1 calc R U . . .
H69B H -0.877971 0.010967 0.492004 0.137 Uiso 1 1 calc R U . . .
H69C H -0.789151 0.049033 0.487285 0.137 Uiso 1 1 calc R U . . .
C70 C -0.7179(6) 0.3167(5) 0.3627(4) 0.043(2) Uani 1 1 d . . . . .
H70A H -0.662157 0.295629 0.351938 0.052 Uiso 1 1 calc R U . . .
H70B H -0.715303 0.360638 0.330933 0.052 Uiso 1 1 calc R U . . .
C71 C -0.7273(9) 0.3408(6) 0.4192(5) 0.068(3) Uani 1 1 d . . . . .
H71A H -0.728521 0.298116 0.451691 0.082 Uiso 1 1 calc R U . . .
H71B H -0.781897 0.363628 0.430502 0.082 Uiso 1 1 calc R U . . .
C72 C -0.6548(8) 0.3947(7) 0.4123(5) 0.068(3) Uani 1 1 d . . . . .
H72A H -0.600541 0.372749 0.399859 0.103 Uiso 1 1 calc R U . . .
H72B H -0.661247 0.407459 0.450446 0.103 Uiso 1 1 calc R U . . .
H72C H -0.655801 0.438396 0.382009 0.103 Uiso 1 1 calc R U . . .
C73 C -0.3543(5) -0.1559(5) 0.2385(4) 0.037(2) Uani 1 1 d . . . . .
H73 H -0.339897 -0.202194 0.231341 0.045 Uiso 1 1 calc R U . . .
C74 C -0.4279(5) -0.1250(4) 0.2384(4) 0.038(2) Uani 1 1 d . . . . .
H74 H -0.474561 -0.147110 0.231686 0.045 Uiso 1 1 calc R U . . .
C75 C -0.2072(7) 0.0514(5) 0.2961(5) 0.058(3) Uani 1 1 d . . . . .
H75 H -0.156130 0.056653 0.305683 0.070 Uiso 1 1 calc R U . . .
C76 C -0.2663(6) 0.1022(5) 0.2944(5) 0.051(3) Uani 1 1 d . . . . .
H76 H -0.262870 0.148687 0.302512 0.062 Uiso 1 1 calc R U . . .
C77 C -0.3491(5) -0.0491(4) 0.2572(4) 0.0279(19) Uani 1 1 d . . . . .
C78 C -0.3094(5) 0.0073(4) 0.2721(4) 0.0292(19) Uani 1 1 d . . . . .
C79 C -0.0197(10) -0.0874(11) 0.1340(6) 0.150(5) Uani 1 1 d . . . . .
H79A H 0.018604 -0.084291 0.158211 0.180 Uiso 1 1 calc R U . . .
H79B H -0.033871 -0.139400 0.138530 0.180 Uiso 1 1 calc R U . . .
C80 C 0.0295(11) -0.0552(10) 0.0683(7) 0.150(5) Uani 1 1 d D . . . .
H80A H 0.078127 -0.022966 0.065775 0.180 Uiso 1 1 calc R U . . .
H80B H -0.008009 -0.025903 0.048367 0.180 Uiso 1 1 calc R U . . .
C81 C 0.0633(9) -0.1188(10) 0.0353(6) 0.150(5) Uani 1 1 d D . . . .
H81A H 0.123838 -0.122938 0.030986 0.224 Uiso 1 1 calc R U . . .
H81B H 0.054988 -0.107693 -0.004213 0.224 Uiso 1 1 calc R U . . .
H81C H 0.031709 -0.164587 0.058955 0.224 Uiso 1 1 calc R U . . .
C82 C -0.0764(14) 0.0456(8) 0.1522(7) 0.169(9) Uani 1 1 d D . . . .
H82A H -0.050978 0.046830 0.184354 0.203 Uiso 1 1 calc R U . . .
H82B H -0.028783 0.053980 0.114674 0.203 Uiso 1 1 calc R U . . .
C83 C -0.1238(15) 0.1055(9) 0.1477(11) 0.210(11) Uani 1 1 d D . . . .
H83A H -0.180108 0.094693 0.178209 0.253 Uiso 1 1 calc R U . . .
H83B H -0.132409 0.118005 0.107865 0.253 Uiso 1 1 calc R U . . .
C84 C -0.0745(11) 0.1724(8) 0.1574(10) 0.196(11) Uani 1 1 d D . . . .
H84A H -0.066164 0.159745 0.196883 0.294 Uiso 1 1 calc R U . . .
H84B H -0.108075 0.214946 0.154533 0.294 Uiso 1 1 calc R U . . .
H84C H -0.019171 0.183380 0.126661 0.294 Uiso 1 1 calc R U . . .
C85 C -0.1790(12) -0.0448(9) 0.1158(8) 0.121(4) Uani 1 1 d . . . . .
H85A H -0.235146 -0.027092 0.132940 0.145 Uiso 1 1 calc R U . . .
H85B H -0.150222 -0.009741 0.077872 0.145 Uiso 1 1 calc R U . . .
C86 C -0.1918(12) -0.1129(9) 0.1028(7) 0.121(4) Uani 1 1 d . . . . .
H86A H -0.242431 -0.139489 0.133886 0.145 Uiso 1 1 calc R U . . .
H86B H -0.142345 -0.141568 0.105406 0.145 Uiso 1 1 calc R U . . .
C87 C -0.2040(11) -0.1084(9) 0.0407(7) 0.121(4) Uani 1 1 d . . . . .
H87A H -0.250700 -0.077815 0.036563 0.182 Uiso 1 1 calc R U . . .
H87B H -0.217432 -0.157123 0.037081 0.182 Uiso 1 1 calc R U . . .
H87C H -0.151664 -0.087496 0.009351 0.182 Uiso 1 1 calc R U . . .
C88 C -0.1824(9) -0.2137(6) 0.4081(5) 0.070(4) Uani 1 1 d . . . . .
H88A H -0.140189 -0.178181 0.410070 0.084 Uiso 1 1 calc R U . . .
H88B H -0.218429 -0.234255 0.449481 0.084 Uiso 1 1 calc R U . . .
C89 C -0.1339(7) -0.2757(5) 0.3839(4) 0.049(3) Uani 1 1 d . . . . .
H89A H -0.175366 -0.312453 0.382753 0.059 Uiso 1 1 calc R U . . .
H89B H -0.097411 -0.255972 0.342454 0.059 Uiso 1 1 calc R U . . .
C90 C -0.0796(8) -0.3117(6) 0.4207(5) 0.062(3) Uani 1 1 d . . . . .
H90A H -0.037332 -0.275877 0.421177 0.093 Uiso 1 1 calc R U . . .
H90B H -0.050552 -0.350386 0.403374 0.093 Uiso 1 1 calc R U . . .
H90C H -0.115382 -0.332295 0.461575 0.093 Uiso 1 1 calc R U . . .
C91 C -0.3322(7) -0.2355(7) 0.3757(6) 0.095(5) Uani 1 1 d . . . . .
H91A H -0.379975 -0.210602 0.364908 0.114 Uiso 1 1 calc R U . . .
H91B H -0.308668 -0.264828 0.346110 0.114 Uiso 1 1 calc R U . . .
C92 C -0.3677(9) -0.2868(8) 0.4360(7) 0.135(8) Uani 1 1 d . . . . .
H92A H -0.391269 -0.259187 0.466798 0.162 Uiso 1 1 calc R U . . .
H92B H -0.322179 -0.315524 0.446761 0.162 Uiso 1 1 calc R U . . .
C93 C -0.4378(9) -0.3373(9) 0.4328(10) 0.194(13) Uani 1 1 d . . . . .
H93A H -0.412949 -0.367600 0.404899 0.290 Uiso 1 1 calc R U . . .
H93B H -0.480232 -0.308277 0.418992 0.290 Uiso 1 1 calc R U . . .
H93C H -0.465063 -0.368255 0.472471 0.290 Uiso 1 1 calc R U . . .
C94 C -0.2847(8) -0.0919(9) 0.4253(6) 0.100(5) Uani 1 1 d . . . . .
H94A H -0.285380 -0.113884 0.466689 0.120 Uiso 1 1 calc R U . . .
H94B H -0.248885 -0.045848 0.410000 0.120 Uiso 1 1 calc R U . . .
C95 C -0.3624(11) -0.0841(16) 0.4201(7) 0.214(16) Uani 1 1 d . . . . .
H95A H -0.402808 -0.126404 0.442467 0.257 Uiso 1 1 calc R U . . .
H95B H -0.363485 -0.068928 0.378330 0.257 Uiso 1 1 calc R U . . .
C96 C -0.3718(12) -0.0116(8) 0.4573(7) 0.118(7) Uani 1 1 d . . . . .
H96A H -0.351720 -0.026049 0.492327 0.177 Uiso 1 1 calc R U . . .
H96B H -0.431373 -0.000203 0.470053 0.177 Uiso 1 1 calc R U . . .
H96C H -0.337439 0.031254 0.430064 0.177 Uiso 1 1 calc R U . . .
Cl1 Cl 0.34636(12) 0.86419(10) 0.23907(9) 0.0269(4) Uani 1 1 d . . . . .
Cl2 Cl 0.44488(13) 0.70315(11) 0.27946(11) 0.0373(5) Uani 1 1 d . . . . .
Cl3 Cl -0.42351(13) 0.42023(11) 0.28210(10) 0.0366(5) Uani 1 1 d . . . . .
Cl4 Cl -0.28852(13) 0.28821(11) 0.23079(10) 0.0326(5) Uani 1 1 d . . . . .
Cl5 Cl -0.92319(13) 0.20354(11) 0.28539(11) 0.0380(5) Uani 1 1 d . . . . .
Cl6 Cl -0.78850(12) 0.36525(10) 0.22851(10) 0.0313(5) Uani 1 1 d . . . . .
Cl7 Cl -0.15554(12) -0.21792(10) 0.24173(10) 0.0326(5) Uani 1 1 d . . . . .
Cl8 Cl -0.06002(15) -0.08240(12) 0.28881(12) 0.0458(6) Uani 1 1 d . . . . .
N1 N 0.1950(4) 0.7481(4) 0.2529(3) 0.0270(15) Uani 1 1 d . . . . .
N2 N 0.0714(4) 0.6975(3) 0.2541(3) 0.0285(16) Uani 1 1 d . . . . .
N3 N 0.2683(4) 0.6318(3) 0.2791(3) 0.0295(16) Uani 1 1 d . . . . .
N4 N 0.1685(4) 0.5506(3) 0.2795(3) 0.0325(17) Uani 1 1 d . . . . .
N5 N -0.2460(4) 0.4888(3) 0.2860(3) 0.0297(16) Uani 1 1 d . . . . .
N6 N -0.1467(4) 0.5676(4) 0.2882(3) 0.0332(17) Uani 1 1 d . . . . .
N7 N -0.1498(4) 0.3901(3) 0.2519(3) 0.0291(16) Uani 1 1 d . . . . .
N8 N -0.0270(4) 0.4382(3) 0.2542(3) 0.0295(16) Uani 1 1 d . . . . .
N9 N -0.7440(4) 0.1338(3) 0.2830(3) 0.0275(15) Uani 1 1 d . . . . .
N10 N -0.6455(4) 0.0534(3) 0.2852(3) 0.0338(17) Uani 1 1 d . . . . .
N11 N -0.6465(4) 0.2510(4) 0.2448(3) 0.0304(16) Uani 1 1 d . . . . .
N12 N -0.5231(4) 0.2033(3) 0.2449(3) 0.0294(16) Uani 1 1 d . . . . .
N13 N -0.3037(4) -0.1074(3) 0.2511(3) 0.0292(16) Uani 1 1 d . . . . .
N14 N -0.4260(4) -0.0571(4) 0.2492(3) 0.0326(17) Uani 1 1 d . . . . .
N15 N -0.2342(5) -0.0073(4) 0.2817(3) 0.0366(18) Uani 1 1 d . . . . .
N16 N -0.3310(5) 0.0745(4) 0.2791(3) 0.0393(19) Uani 1 1 d . . . . .
Os1 Os 0.31422(2) 0.73713(2) 0.26323(2) 0.02455(9) Uani 1 1 d . . . . .
Os2 Os -0.27816(2) 0.39662(2) 0.26322(2) 0.02657(10) Uani 1 1 d . . . . .
Os3 Os -0.77721(2) 0.23874(2) 0.26095(2) 0.02535(9) Uani 1 1 d . . . . .
Os4 Os -0.18661(2) -0.10465(2) 0.26651(2) 0.02885(10) Uani 1 1 d . . . . .
P1 P 0.37098(16) 0.73697(14) 0.16046(11) 0.0404(6) Uani 1 1 d . . . . .
P2 P 0.25834(17) 0.73902(13) 0.36574(11) 0.0417(6) Uani 1 1 d . . . . .
P3 P -0.24651(14) 0.46405(13) 0.16256(11) 0.0357(5) Uani 1 1 d . . . . .
P4 P -0.30445(18) 0.32731(13) 0.36256(11) 0.0441(6) Uani 1 1 d . . . . .
P5 P -0.75370(16) 0.22655(13) 0.16131(11) 0.0368(6) Uani 1 1 d . . . . .
P6 P -0.79712(18) 0.25205(13) 0.35995(11) 0.0438(6) Uani 1 1 d . . . . .
P7 P -0.11841(16) -0.04579(14) 0.16569(12) 0.0439(6) Uani 1 1 d . . . . .
P8 P -0.2487(2) -0.16529(15) 0.36748(12) 0.0609(9) Uani 1 1 d . . . . .


_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 N6 2.073(7) . ?
Ag1 N2 2.075(7) . ?
Ag1 Ag2 2.9712(9) . ?
Ag2 N4 2.071(7) . ?
Ag2 N8 2.075(6) . ?
Ag3 N14 2.071(6) . ?
Ag3 N10 2.086(6) . ?
Ag3 Ag4 2.9710(10) . ?
Ag4 N16 2.085(7) . ?
Ag4 N12 2.086(6) . ?
C1 C2 1.336(11) . ?
C1 N1 1.372(10) . ?
C1 H1 0.9500 . ?
C2 N2 1.377(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.355(12) . ?
C3 N3 1.385(10) . ?
C3 H3 0.9500 . ?
C4 N4 1.394(10) . ?
C4 H4 0.9500 . ?
C5 N2 1.324(10) . ?
C5 N1 1.381(10) . ?
C5 C6 1.410(11) . ?
C6 N4 1.346(10) . ?
C6 N3 1.382(10) . ?
C7 C8 1.522(15) . ?
C7 P1 1.848(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.449(19) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.476(17) . ?
C10 P1 1.854(12) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.517(18) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.487(15) . ?
C13 P1 1.837(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.610(16) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.505(14) . ?
C16 P2 1.823(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.508(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.530(13) . ?
C19 P2 1.818(11) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.52(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.34(2) . ?
C22 P2 1.964(14) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.614(16) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.349(11) . ?
C25 N5 1.388(10) . ?
C25 H25 0.9500 . ?
C26 N6 1.386(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.368(11) . ?
C27 N7 1.374(9) . ?
C27 H27 0.9500 . ?
C28 N8 1.386(10) . ?
C28 H28 0.9500 . ?
C29 N6 1.338(10) . ?
C29 N5 1.350(10) . ?
C29 C30 1.439(10) . ?
C30 N8 1.344(10) . ?
C30 N7 1.356(9) . ?
C31 C32 1.551(14) . ?
C31 P3 1.825(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.503(17) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.532(12) . ?
C34 P3 1.834(9) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.487(13) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.498(14) . ?
C37 P3 1.837(10) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.533(15) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.464(14) . ?
C40 P4 1.789(12) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.548(15) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.448(17) . ?
C43 P4 1.873(11) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.567(17) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.476(14) . ?
C46 P4 1.852(10) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.510(16) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.373(11) . ?
C49 N9 1.383(10) . ?
C49 H49 0.9500 . ?
C50 N10 1.366(11) . ?
C50 H50 0.9500 . ?
C51 N11 1.364(10) . ?
C51 C52 1.367(10) . ?
C51 H51 0.9500 . ?
C52 N12 1.371(10) . ?
C52 H52 0.9500 . ?
C53 N10 1.353(10) . ?
C53 N9 1.359(10) . ?
C53 C54 1.418(11) . ?
C54 N12 1.346(10) . ?
C54 N11 1.356(9) . ?
C55 C56 1.566(16) . ?
C55 P5 1.816(10) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.292(13) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.495(14) . ?
C58 P5 1.837(9) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.521(13) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.530(13) . ?
C61 P5 1.792(11) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.495(15) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 C65 1.461(14) . ?
C64 P6 1.767(11) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.622(15) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.496(16) . ?
C67 P6 1.893(11) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.552(16) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.499(13) . ?
C70 P6 1.823(10) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.524(16) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.350(11) . ?
C73 N13 1.385(10) . ?
C73 H73 0.9500 . ?
C74 N14 1.373(10) . ?
C74 H74 0.9500 . ?
C75 N15 1.352(11) . ?
C75 C76 1.373(12) . ?
C75 H75 0.9500 . ?
C76 N16 1.372(11) . ?
C76 H76 0.9500 . ?
C77 N13 1.346(9) . ?
C77 N14 1.353(10) . ?
C77 C78 1.422(11) . ?
C78 N15 1.348(10) . ?
C78 N16 1.357(10) . ?
C79 C80 1.536(19) . ?
C79 P7 1.842(15) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.602(16) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C83 1.381(17) . ?
C82 P7 1.795(16) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.607(16) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 C86 1.43(2) . ?
C85 P7 1.776(15) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.554(19) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 C89 1.548(13) . ?
C88 P8 1.798(11) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.504(13) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 C92 1.510(16) . ?
C91 P8 1.859(14) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.54(3) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 C95 1.33(2) . ?
C94 P8 2.148(17) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.79(3) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
Cl1 Os1 2.3749(19) . ?
Cl2 Os1 2.370(2) . ?
Cl3 Os2 2.370(2) . ?
Cl4 Os2 2.382(2) . ?
Cl5 Os3 2.368(2) . ?
Cl6 Os3 2.3800(19) . ?
Cl7 Os4 2.3729(19) . ?
Cl8 Os4 2.370(2) . ?
N1 Os1 2.064(6) . ?
N3 Os1 2.055(6) . ?
N5 Os2 2.062(6) . ?
N7 Os2 2.064(6) . ?
N9 Os3 2.061(6) . ?
N11 Os3 2.082(7) . ?
N13 Os4 2.079(6) . ?
N15 Os4 2.071(6) . ?
Os1 P1 2.379(2) . ?
Os1 P2 2.379(2) . ?
Os2 P4 2.377(3) . ?
Os2 P3 2.383(2) . ?
Os3 P5 2.383(2) . ?
Os3 P6 2.384(2) . ?
Os4 P8 2.365(3) . ?
Os4 P7 2.369(3) . ?

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
N6 Ag1 N2 173.8(2) . . ?
N6 Ag1 Ag2 93.01(18) . . ?
N2 Ag1 Ag2 93.19(17) . . ?
N4 Ag2 N8 174.7(2) . . ?
N4 Ag2 Ag1 92.39(17) . . ?
N8 Ag2 Ag1 92.76(17) . . ?
N14 Ag3 N10 173.6(3) . . ?
N14 Ag3 Ag4 93.22(19) . . ?
N10 Ag3 Ag4 93.15(18) . . ?
N16 Ag4 N12 174.5(3) . . ?
N16 Ag4 Ag3 92.4(2) . . ?
N12 Ag4 Ag3 92.89(18) . . ?
C2 C1 N1 108.7(7) . . ?
C2 C1 H1 125.7 . . ?
N1 C1 H1 125.7 . . ?
C1 C2 N2 110.1(7) . . ?
C1 C2 H2 124.9 . . ?
N2 C2 H2 124.9 . . ?
C4 C3 N3 107.0(7) . . ?
C4 C3 H3 126.5 . . ?
N3 C3 H3 126.5 . . ?
C3 C4 N4 110.8(7) . . ?
C3 C4 H4 124.6 . . ?
N4 C4 H4 124.6 . . ?
N2 C5 N1 112.4(7) . . ?
N2 C5 C6 133.3(8) . . ?
N1 C5 C6 114.3(7) . . ?
N4 C6 N3 111.5(7) . . ?
N4 C6 C5 133.6(7) . . ?
N3 C6 C5 114.9(7) . . ?
C8 C7 P1 116.3(8) . . ?
C8 C7 H7A 108.2 . . ?
P1 C7 H7A 108.2 . . ?
C8 C7 H7B 108.2 . . ?
P1 C7 H7B 108.2 . . ?
H7A C7 H7B 107.4 . . ?
C9 C8 C7 112.4(13) . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.9 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 P1 116.6(9) . . ?
C11 C10 H10A 108.1 . . ?
P1 C10 H10A 108.1 . . ?
C11 C10 H10B 108.1 . . ?
P1 C10 H10B 108.1 . . ?
H10A C10 H10B 107.3 . . ?
C10 C11 C12 113.2(15) . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
C12 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 113.3(8) . . ?
C14 C13 H13A 108.9 . . ?
P1 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
P1 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 C15 108.8(10) . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 P2 116.9(7) . . ?
C17 C16 H16A 108.1 . . ?
P2 C16 H16A 108.1 . . ?
C17 C16 H16B 108.1 . . ?
P2 C16 H16B 108.1 . . ?
H16A C16 H16B 107.3 . . ?
C16 C17 C18 110.3(9) . . ?
C16 C17 H17A 109.6 . . ?
C18 C17 H17A 109.6 . . ?
C16 C17 H17B 109.6 . . ?
C18 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P2 119.0(9) . . ?
C20 C19 H19A 107.6 . . ?
P2 C19 H19A 107.6 . . ?
C20 C19 H19B 107.6 . . ?
P2 C19 H19B 107.6 . . ?
H19A C19 H19B 107.0 . . ?
C21 C20 C19 110.2(12) . . ?
C21 C20 H20A 109.6 . . ?
C19 C20 H20A 109.6 . . ?
C21 C20 H20B 109.6 . . ?
C19 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 P2 111.9(13) . . ?
C23 C22 H22A 109.2 . . ?
P2 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
P2 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C22 C23 C24 105.7(15) . . ?
C22 C23 H23A 110.6 . . ?
C24 C23 H23A 110.6 . . ?
C22 C23 H23B 110.6 . . ?
C24 C23 H23B 110.6 . . ?
H23A C23 H23B 108.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N5 107.4(7) . . ?
C26 C25 H25 126.3 . . ?
N5 C25 H25 126.3 . . ?
C25 C26 N6 110.2(7) . . ?
C25 C26 H26 124.9 . . ?
N6 C26 H26 124.9 . . ?
C28 C27 N7 108.1(7) . . ?
C28 C27 H27 126.0 . . ?
N7 C27 H27 126.0 . . ?
C27 C28 N8 109.2(7) . . ?
C27 C28 H28 125.4 . . ?
N8 C28 H28 125.4 . . ?
N6 C29 N5 113.1(7) . . ?
N6 C29 C30 132.9(7) . . ?
N5 C29 C30 113.9(7) . . ?
N8 C30 N7 112.8(6) . . ?
N8 C30 C29 131.6(7) . . ?
N7 C30 C29 115.5(7) . . ?
C32 C31 P3 115.2(8) . . ?
C32 C31 H31A 108.5 . . ?
P3 C31 H31A 108.5 . . ?
C32 C31 H31B 108.5 . . ?
P3 C31 H31B 108.5 . . ?
H31A C31 H31B 107.5 . . ?
C33 C32 C31 110.6(12) . . ?
C33 C32 H32A 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 108.1 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P3 115.5(7) . . ?
C35 C34 H34A 108.4 . . ?
P3 C34 H34A 108.4 . . ?
C35 C34 H34B 108.4 . . ?
P3 C34 H34B 108.4 . . ?
H34A C34 H34B 107.5 . . ?
C36 C35 C34 112.0(9) . . ?
C36 C35 H35A 109.2 . . ?
C34 C35 H35A 109.2 . . ?
C36 C35 H35B 109.2 . . ?
C34 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 P3 115.9(9) . . ?
C38 C37 H37A 108.3 . . ?
P3 C37 H37A 108.3 . . ?
C38 C37 H37B 108.3 . . ?
P3 C37 H37B 108.3 . . ?
H37A C37 H37B 107.4 . . ?
C37 C38 C39 111.3(10) . . ?
C37 C38 H38A 109.4 . . ?
C39 C38 H38A 109.4 . . ?
C37 C38 H38B 109.4 . . ?
C39 C38 H38B 109.4 . . ?
H38A C38 H38B 108.0 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 P4 117.7(8) . . ?
C41 C40 H40A 107.9 . . ?
P4 C40 H40A 107.9 . . ?
C41 C40 H40B 107.9 . . ?
P4 C40 H40B 107.9 . . ?
H40A C40 H40B 107.2 . . ?
C40 C41 C42 114.5(9) . . ?
C40 C41 H41A 108.6 . . ?
C42 C41 H41A 108.6 . . ?
C40 C41 H41B 108.6 . . ?
C42 C41 H41B 108.6 . . ?
H41A C41 H41B 107.6 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 P4 114.6(11) . . ?
C44 C43 H43A 108.6 . . ?
P4 C43 H43A 108.6 . . ?
C44 C43 H43B 108.6 . . ?
P4 C43 H43B 108.6 . . ?
H43A C43 H43B 107.6 . . ?
C43 C44 C45 112.3(14) . . ?
C43 C44 H44A 109.1 . . ?
C45 C44 H44A 109.1 . . ?
C43 C44 H44B 109.1 . . ?
C45 C44 H44B 109.1 . . ?
H44A C44 H44B 107.9 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 P4 120.7(9) . . ?
C47 C46 H46A 107.2 . . ?
P4 C46 H46A 107.2 . . ?
C47 C46 H46B 107.2 . . ?
P4 C46 H46B 107.2 . . ?
H46A C46 H46B 106.8 . . ?
C46 C47 C48 112.1(11) . . ?
C46 C47 H47A 109.2 . . ?
C48 C47 H47A 109.2 . . ?
C46 C47 H47B 109.2 . . ?
C48 C47 H47B 109.2 . . ?
H47A C47 H47B 107.9 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 N9 107.3(7) . . ?
C50 C49 H49 126.3 . . ?
N9 C49 H49 126.3 . . ?
N10 C50 C49 109.2(7) . . ?
N10 C50 H50 125.4 . . ?
C49 C50 H50 125.4 . . ?
N11 C51 C52 107.9(7) . . ?
N11 C51 H51 126.0 . . ?
C52 C51 H51 126.0 . . ?
C51 C52 N12 108.9(7) . . ?
C51 C52 H52 125.5 . . ?
N12 C52 H52 125.5 . . ?
N10 C53 N9 110.9(7) . . ?
N10 C53 C54 133.7(7) . . ?
N9 C53 C54 115.4(6) . . ?
N12 C54 N11 111.3(7) . . ?
N12 C54 C53 133.7(7) . . ?
N11 C54 C53 115.0(7) . . ?
C56 C55 P5 115.9(10) . . ?
C56 C55 H55A 108.3 . . ?
P5 C55 H55A 108.3 . . ?
C56 C55 H55B 108.3 . . ?
P5 C55 H55B 108.3 . . ?
H55A C55 H55B 107.4 . . ?
C57 C56 C55 125.6(13) . . ?
C57 C56 H56A 105.9 . . ?
C55 C56 H56A 105.9 . . ?
C57 C56 H56B 105.9 . . ?
C55 C56 H56B 105.9 . . ?
H56A C56 H56B 106.2 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 P5 116.5(7) . . ?
C59 C58 H58A 108.2 . . ?
P5 C58 H58A 108.2 . . ?
C59 C58 H58B 108.2 . . ?
P5 C58 H58B 108.2 . . ?
H58A C58 H58B 107.3 . . ?
C58 C59 C60 113.1(10) . . ?
C58 C59 H59A 109.0 . . ?
C60 C59 H59A 109.0 . . ?
C58 C59 H59B 109.0 . . ?
C60 C59 H59B 109.0 . . ?
H59A C59 H59B 107.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 P5 119.2(8) . . ?
C62 C61 H61A 107.5 . . ?
P5 C61 H61A 107.5 . . ?
C62 C61 H61B 107.5 . . ?
P5 C61 H61B 107.5 . . ?
H61A C61 H61B 107.0 . . ?
C63 C62 C61 113.9(9) . . ?
C63 C62 H62A 108.8 . . ?
C61 C62 H62A 108.8 . . ?
C63 C62 H62B 108.8 . . ?
C61 C62 H62B 108.8 . . ?
H62A C62 H62B 107.7 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C65 C64 P6 114.9(8) . . ?
C65 C64 H64A 108.5 . . ?
P6 C64 H64A 108.5 . . ?
C65 C64 H64B 108.5 . . ?
P6 C64 H64B 108.5 . . ?
H64A C64 H64B 107.5 . . ?
C64 C65 C66 113.5(9) . . ?
C64 C65 H65A 108.9 . . ?
C66 C65 H65A 108.9 . . ?
C64 C65 H65B 108.9 . . ?
C66 C65 H65B 108.9 . . ?
H65A C65 H65B 107.7 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 P6 111.5(8) . . ?
C68 C67 H67A 109.3 . . ?
P6 C67 H67A 109.3 . . ?
C68 C67 H67B 109.3 . . ?
P6 C67 H67B 109.3 . . ?
H67A C67 H67B 108.0 . . ?
C67 C68 C69 108.5(11) . . ?
C67 C68 H68A 110.0 . . ?
C69 C68 H68A 110.0 . . ?
C67 C68 H68B 110.0 . . ?
C69 C68 H68B 110.0 . . ?
H68A C68 H68B 108.4 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 P6 119.7(8) . . ?
C71 C70 H70A 107.4 . . ?
P6 C70 H70A 107.4 . . ?
C71 C70 H70B 107.4 . . ?
P6 C70 H70B 107.4 . . ?
H70A C70 H70B 106.9 . . ?
C70 C71 C72 111.5(10) . . ?
C70 C71 H71A 109.3 . . ?
C72 C71 H71A 109.3 . . ?
C70 C71 H71B 109.3 . . ?
C72 C71 H71B 109.3 . . ?
H71A C71 H71B 108.0 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 N13 107.2(7) . . ?
C74 C73 H73 126.4 . . ?
N13 C73 H73 126.4 . . ?
C73 C74 N14 110.5(8) . . ?
C73 C74 H74 124.7 . . ?
N14 C74 H74 124.7 . . ?
N15 C75 C76 108.3(8) . . ?
N15 C75 H75 125.8 . . ?
C76 C75 H75 125.8 . . ?
N16 C76 C75 108.4(8) . . ?
N16 C76 H76 125.8 . . ?
C75 C76 H76 125.8 . . ?
N13 C77 N14 112.3(7) . . ?
N13 C77 C78 115.2(7) . . ?
N14 C77 C78 132.5(7) . . ?
N15 C78 N16 111.1(7) . . ?
N15 C78 C77 115.2(7) . . ?
N16 C78 C77 133.6(7) . . ?
C80 C79 P7 117.0(13) . . ?
C80 C79 H79A 108.1 . . ?
P7 C79 H79A 108.1 . . ?
C80 C79 H79B 108.1 . . ?
P7 C79 H79B 108.1 . . ?
H79A C79 H79B 107.3 . . ?
C79 C80 C81 110.0(14) . . ?
C79 C80 H80A 109.7 . . ?
C81 C80 H80A 109.7 . . ?
C79 C80 H80B 109.7 . . ?
C81 C80 H80B 109.7 . . ?
H80A C80 H80B 108.2 . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C83 C82 P7 124.2(17) . . ?
C83 C82 H82A 106.3 . . ?
P7 C82 H82A 106.3 . . ?
C83 C82 H82B 106.3 . . ?
P7 C82 H82B 106.3 . . ?
H82A C82 H82B 106.4 . . ?
C82 C83 C84 109.2(18) . . ?
C82 C83 H83A 109.8 . . ?
C84 C83 H83A 109.8 . . ?
C82 C83 H83B 109.8 . . ?
C84 C83 H83B 109.8 . . ?
H83A C83 H83B 108.3 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C86 C85 P7 115.3(12) . . ?
C86 C85 H85A 108.5 . . ?
P7 C85 H85A 108.5 . . ?
C86 C85 H85B 108.5 . . ?
P7 C85 H85B 108.5 . . ?
H85A C85 H85B 107.5 . . ?
C85 C86 C87 115.1(15) . . ?
C85 C86 H86A 108.5 . . ?
C87 C86 H86A 108.5 . . ?
C85 C86 H86B 108.5 . . ?
C87 C86 H86B 108.5 . . ?
H86A C86 H86B 107.5 . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C89 C88 P8 117.6(7) . . ?
C89 C88 H88A 107.9 . . ?
P8 C88 H88A 107.9 . . ?
C89 C88 H88B 107.9 . . ?
P8 C88 H88B 107.9 . . ?
H88A C88 H88B 107.2 . . ?
C90 C89 C88 113.1(9) . . ?
C90 C89 H89A 109.0 . . ?
C88 C89 H89A 109.0 . . ?
C90 C89 H89B 109.0 . . ?
C88 C89 H89B 109.0 . . ?
H89A C89 H89B 107.8 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C92 C91 P8 117.5(13) . . ?
C92 C91 H91A 107.9 . . ?
P8 C91 H91A 107.9 . . ?
C92 C91 H91B 107.9 . . ?
P8 C91 H91B 107.9 . . ?
H91A C91 H91B 107.2 . . ?
C91 C92 C93 108.2(16) . . ?
C91 C92 H92A 110.1 . . ?
C93 C92 H92A 110.1 . . ?
C91 C92 H92B 110.1 . . ?
C93 C92 H92B 110.1 . . ?
H92A C92 H92B 108.4 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C94 P8 95.8(16) . . ?
C95 C94 H94A 112.6 . . ?
P8 C94 H94A 112.6 . . ?
C95 C94 H94B 112.6 . . ?
P8 C94 H94B 112.6 . . ?
H94A C94 H94B 110.1 . . ?
C94 C95 C96 88.6(15) . . ?
C94 C95 H95A 113.9 . . ?
C96 C95 H95A 113.9 . . ?
C94 C95 H95B 113.9 . . ?
C96 C95 H95B 113.9 . . ?
H95A C95 H95B 111.1 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C1 N1 C5 104.1(6) . . ?
C1 N1 Os1 138.9(6) . . ?
C5 N1 Os1 116.9(5) . . ?
C5 N2 C2 104.6(7) . . ?
C5 N2 Ag1 131.2(6) . . ?
C2 N2 Ag1 123.2(5) . . ?
C6 N3 C3 106.2(7) . . ?
C6 N3 Os1 116.8(5) . . ?
C3 N3 Os1 136.9(6) . . ?
C6 N4 C4 104.4(7) . . ?
C6 N4 Ag2 131.4(5) . . ?
C4 N4 Ag2 123.6(5) . . ?
C29 N5 C25 105.3(6) . . ?
C29 N5 Os2 117.2(5) . . ?
C25 N5 Os2 137.1(5) . . ?
C29 N6 C26 104.0(7) . . ?
C29 N6 Ag1 131.9(5) . . ?
C26 N6 Ag1 123.1(5) . . ?
C30 N7 C27 105.4(6) . . ?
C30 N7 Os2 116.1(5) . . ?
C27 N7 Os2 138.5(6) . . ?
C30 N8 C28 104.5(7) . . ?
C30 N8 Ag2 133.2(5) . . ?
C28 N8 Ag2 122.3(5) . . ?
C53 N9 C49 106.3(6) . . ?
C53 N9 Os3 116.5(5) . . ?
C49 N9 Os3 136.9(5) . . ?
C53 N10 C50 106.2(7) . . ?
C53 N10 Ag3 129.8(6) . . ?
C50 N10 Ag3 123.1(5) . . ?
C54 N11 C51 106.2(6) . . ?
C54 N11 Os3 116.1(5) . . ?
C51 N11 Os3 137.5(5) . . ?
C54 N12 C52 105.5(6) . . ?
C54 N12 Ag4 130.6(5) . . ?
C52 N12 Ag4 123.2(5) . . ?
C77 N13 C73 105.8(6) . . ?
C77 N13 Os4 116.4(5) . . ?
C73 N13 Os4 137.7(5) . . ?
C77 N14 C74 104.2(7) . . ?
C77 N14 Ag3 130.8(5) . . ?
C74 N14 Ag3 123.7(6) . . ?
C78 N15 C75 106.7(7) . . ?
C78 N15 Os4 116.4(6) . . ?
C75 N15 Os4 136.7(6) . . ?
C78 N16 C76 105.4(7) . . ?
C78 N16 Ag4 130.7(6) . . ?
C76 N16 Ag4 123.4(6) . . ?
N3 Os1 N1 76.9(3) . . ?
N3 Os1 Cl2 93.34(19) . . ?
N1 Os1 Cl2 170.25(19) . . ?
N3 Os1 Cl1 169.96(19) . . ?
N1 Os1 Cl1 93.21(19) . . ?
Cl2 Os1 Cl1 96.54(7) . . ?
N3 Os1 P1 88.7(2) . . ?
N1 Os1 P1 89.60(19) . . ?
Cl2 Os1 P1 90.65(8) . . ?
Cl1 Os1 P1 89.38(8) . . ?
N3 Os1 P2 92.1(2) . . ?
N1 Os1 P2 90.63(19) . . ?
Cl2 Os1 P2 89.26(9) . . ?
Cl1 Os1 P2 89.82(8) . . ?
P1 Os1 P2 179.17(9) . . ?
N5 Os2 N7 77.1(3) . . ?
N5 Os2 Cl3 93.99(18) . . ?
N7 Os2 Cl3 171.02(19) . . ?
N5 Os2 P4 91.6(2) . . ?
N7 Os2 P4 88.5(2) . . ?
Cl3 Os2 P4 91.04(9) . . ?
N5 Os2 Cl4 169.70(19) . . ?
N7 Os2 Cl4 92.78(18) . . ?
Cl3 Os2 Cl4 96.18(7) . . ?
P4 Os2 Cl4 89.79(8) . . ?
N5 Os2 P3 88.8(2) . . ?
N7 Os2 P3 89.5(2) . . ?
Cl3 Os2 P3 91.15(8) . . ?
P4 Os2 P3 177.72(9) . . ?
Cl4 Os2 P3 89.36(8) . . ?
N9 Os3 N11 76.8(3) . . ?
N9 Os3 Cl5 93.42(19) . . ?
N11 Os3 Cl5 170.22(19) . . ?
N9 Os3 Cl6 169.58(19) . . ?
N11 Os3 Cl6 92.90(18) . . ?
Cl5 Os3 Cl6 96.87(7) . . ?
N9 Os3 P5 88.8(2) . . ?
N11 Os3 P5 89.6(2) . . ?
Cl5 Os3 P5 90.91(8) . . ?
Cl6 Os3 P5 89.45(8) . . ?
N9 Os3 P6 91.2(2) . . ?
N11 Os3 P6 89.0(2) . . ?
Cl5 Os3 P6 90.53(9) . . ?
Cl6 Os3 P6 90.27(8) . . ?
P5 Os3 P6 178.56(9) . . ?
N15 Os4 N13 76.6(3) . . ?
N15 Os4 P8 92.3(2) . . ?
N13 Os4 P8 90.8(2) . . ?
N15 Os4 P7 89.2(2) . . ?
N13 Os4 P7 91.6(2) . . ?
P8 Os4 P7 177.40(10) . . ?
N15 Os4 Cl8 93.5(2) . . ?
N13 Os4 Cl8 170.05(18) . . ?
P8 Os4 Cl8 88.92(11) . . ?
P7 Os4 Cl8 88.89(9) . . ?
N15 Os4 Cl7 168.5(2) . . ?
N13 Os4 Cl7 92.09(18) . . ?
P8 Os4 Cl7 89.64(8) . . ?
P7 Os4 Cl7 89.27(8) . . ?
Cl8 Os4 Cl7 97.86(7) . . ?
C13 P1 C7 106.8(5) . . ?
C13 P1 C10 99.1(5) . . ?
C7 P1 C10 104.8(6) . . ?
C13 P1 Os1 116.9(4) . . ?
C7 P1 Os1 113.5(3) . . ?
C10 P1 Os1 114.2(4) . . ?
C19 P2 C16 104.0(5) . . ?
C19 P2 C22 110.0(6) . . ?
C16 P2 C22 97.2(5) . . ?
C19 P2 Os1 111.5(4) . . ?
C16 P2 Os1 118.4(4) . . ?
C22 P2 Os1 114.5(4) . . ?
C31 P3 C34 105.1(5) . . ?
C31 P3 C37 106.7(5) . . ?
C34 P3 C37 98.8(5) . . ?
C31 P3 Os2 114.0(4) . . ?
C34 P3 Os2 115.8(3) . . ?
C37 P3 Os2 114.8(3) . . ?
C40 P4 C46 106.3(5) . . ?
C40 P4 C43 102.9(6) . . ?
C46 P4 C43 101.2(5) . . ?
C40 P4 Os2 119.1(4) . . ?
C46 P4 Os2 111.5(4) . . ?
C43 P4 Os2 114.0(4) . . ?
C61 P5 C55 105.8(6) . . ?
C61 P5 C58 101.0(5) . . ?
C55 P5 C58 104.2(5) . . ?
C61 P5 Os3 116.1(4) . . ?
C55 P5 Os3 114.3(4) . . ?
C58 P5 Os3 114.0(3) . . ?
C64 P6 C70 106.1(5) . . ?
C64 P6 C67 102.3(5) . . ?
C70 P6 C67 101.4(5) . . ?
C64 P6 Os3 120.0(4) . . ?
C70 P6 Os3 111.8(3) . . ?
C67 P6 Os3 113.2(4) . . ?
C85 P7 C82 106.3(9) . . ?
C85 P7 C79 105.4(8) . . ?
C82 P7 C79 99.3(10) . . ?
C85 P7 Os4 115.7(7) . . ?
C82 P7 Os4 116.4(5) . . ?
C79 P7 Os4 111.9(5) . . ?
C88 P8 C91 103.2(5) . . ?
C88 P8 C94 93.9(5) . . ?
C91 P8 C94 115.6(6) . . ?
C88 P8 Os4 119.0(4) . . ?
C91 P8 Os4 111.5(4) . . ?
C94 P8 Os4 112.6(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 N2 -0.5(10) . . . . ?
N3 C3 C4 N4 -2.2(11) . . . . ?
N2 C5 C6 N4 3.4(17) . . . . ?
N1 C5 C6 N4 -176.3(9) . . . . ?
N2 C5 C6 N3 -176.0(8) . . . . ?
N1 C5 C6 N3 4.3(10) . . . . ?
P1 C7 C8 C9 175.8(12) . . . . ?
P1 C10 C11 C12 -173.2(12) . . . . ?
P1 C13 C14 C15 168.3(8) . . . . ?
P2 C16 C17 C18 176.7(8) . . . . ?
P2 C19 C20 C21 179.2(9) . . . . ?
P2 C22 C23 C24 170.3(9) . . . . ?
N5 C25 C26 N6 -1.2(11) . . . . ?
N7 C27 C28 N8 0.4(10) . . . . ?
N6 C29 C30 N8 9.3(16) . . . . ?
N5 C29 C30 N8 -173.9(8) . . . . ?
N6 C29 C30 N7 -175.0(8) . . . . ?
N5 C29 C30 N7 1.8(11) . . . . ?
P3 C31 C32 C33 176.7(9) . . . . ?
P3 C34 C35 C36 170.4(8) . . . . ?
P3 C37 C38 C39 -170.4(9) . . . . ?
P4 C40 C41 C42 179.3(8) . . . . ?
P4 C43 C44 C45 -166.9(9) . . . . ?
P4 C46 C47 C48 -178.3(9) . . . . ?
N9 C49 C50 N10 -1.5(11) . . . . ?
N11 C51 C52 N12 -1.4(10) . . . . ?
N10 C53 C54 N12 -4.9(17) . . . . ?
N9 C53 C54 N12 175.4(8) . . . . ?
N10 C53 C54 N11 175.5(9) . . . . ?
N9 C53 C54 N11 -4.2(11) . . . . ?
P5 C55 C56 C57 -132(2) . . . . ?
P5 C58 C59 C60 -170.7(8) . . . . ?
P5 C61 C62 C63 -172.9(12) . . . . ?
P6 C64 C65 C66 179.2(9) . . . . ?
P6 C67 C68 C69 168.0(8) . . . . ?
P6 C70 C71 C72 179.9(8) . . . . ?
N13 C73 C74 N14 1.3(11) . . . . ?
N15 C75 C76 N16 0.3(13) . . . . ?
N13 C77 C78 N15 -4.0(11) . . . . ?
N14 C77 C78 N15 173.9(9) . . . . ?
N13 C77 C78 N16 176.2(9) . . . . ?
N14 C77 C78 N16 -5.9(17) . . . . ?
P7 C79 C80 C81 -138.3(13) . . . . ?
P7 C82 C83 C84 161.4(14) . . . . ?
P7 C85 C86 C87 -151.9(14) . . . . ?
P8 C88 C89 C90 179.2(9) . . . . ?
P8 C91 C92 C93 177.5(9) . . . . ?
P8 C94 C95 C96 -169.7(8) . . . . ?
C2 C1 N1 C5 -0.6(9) . . . . ?
C2 C1 N1 Os1 -176.5(6) . . . . ?
N2 C5 N1 C1 1.5(9) . . . . ?
C6 C5 N1 C1 -178.7(7) . . . . ?
N2 C5 N1 Os1 178.5(5) . . . . ?
C6 C5 N1 Os1 -1.7(9) . . . . ?
N1 C5 N2 C2 -1.8(9) . . . . ?
C6 C5 N2 C2 178.5(9) . . . . ?
N1 C5 N2 Ag1 -170.7(5) . . . . ?
C6 C5 N2 Ag1 9.6(14) . . . . ?
C1 C2 N2 C5 1.4(10) . . . . ?
C1 C2 N2 Ag1 171.4(6) . . . . ?
N4 C6 N3 C3 -1.1(10) . . . . ?
C5 C6 N3 C3 178.4(7) . . . . ?
N4 C6 N3 Os1 175.4(5) . . . . ?
C5 C6 N3 Os1 -5.1(9) . . . . ?
C4 C3 N3 C6 2.0(10) . . . . ?
C4 C3 N3 Os1 -173.5(7) . . . . ?
N3 C6 N4 C4 -0.2(10) . . . . ?
C5 C6 N4 C4 -179.6(9) . . . . ?
N3 C6 N4 Ag2 -171.8(6) . . . . ?
C5 C6 N4 Ag2 8.8(15) . . . . ?
C3 C4 N4 C6 1.5(11) . . . . ?
C3 C4 N4 Ag2 174.0(6) . . . . ?
N6 C29 N5 C25 -1.3(10) . . . . ?
C30 C29 N5 C25 -178.8(7) . . . . ?
N6 C29 N5 Os2 172.7(5) . . . . ?
C30 C29 N5 Os2 -4.8(9) . . . . ?
C26 C25 N5 C29 1.5(10) . . . . ?
C26 C25 N5 Os2 -170.6(7) . . . . ?
N5 C29 N6 C26 0.6(10) . . . . ?
C30 C29 N6 C26 177.5(9) . . . . ?
N5 C29 N6 Ag1 -167.7(6) . . . . ?
C30 C29 N6 Ag1 9.2(14) . . . . ?
C25 C26 N6 C29 0.4(10) . . . . ?
C25 C26 N6 Ag1 170.0(6) . . . . ?
N8 C30 N7 C27 -2.1(9) . . . . ?
C29 C30 N7 C27 -178.6(7) . . . . ?
N8 C30 N7 Os2 178.5(5) . . . . ?
C29 C30 N7 Os2 1.9(9) . . . . ?
C28 C27 N7 C30 1.0(9) . . . . ?
C28 C27 N7 Os2 -179.8(7) . . . . ?
N7 C30 N8 C28 2.3(9) . . . . ?
C29 C30 N8 C28 178.1(9) . . . . ?
N7 C30 N8 Ag2 -175.9(6) . . . . ?
C29 C30 N8 Ag2 -0.1(14) . . . . ?
C27 C28 N8 C30 -1.6(10) . . . . ?
C27 C28 N8 Ag2 176.8(6) . . . . ?
N10 C53 N9 C49 0.0(10) . . . . ?
C54 C53 N9 C49 179.8(7) . . . . ?
N10 C53 N9 Os3 -174.8(5) . . . . ?
C54 C53 N9 Os3 5.0(9) . . . . ?
C50 C49 N9 C53 0.9(10) . . . . ?
C50 C49 N9 Os3 174.1(6) . . . . ?
N9 C53 N10 C50 -0.9(10) . . . . ?
C54 C53 N10 C50 179.3(9) . . . . ?
N9 C53 N10 Ag3 168.5(6) . . . . ?
C54 C53 N10 Ag3 -11.2(15) . . . . ?
C49 C50 N10 C53 1.5(10) . . . . ?
C49 C50 N10 Ag3 -168.8(6) . . . . ?
N12 C54 N11 C51 -1.9(9) . . . . ?
C53 C54 N11 C51 177.8(7) . . . . ?
N12 C54 N11 Os3 -178.2(5) . . . . ?
C53 C54 N11 Os3 1.5(9) . . . . ?
C52 C51 N11 C54 2.0(9) . . . . ?
C52 C51 N11 Os3 177.0(6) . . . . ?
N11 C54 N12 C52 1.0(9) . . . . ?
C53 C54 N12 C52 -178.6(9) . . . . ?
N11 C54 N12 Ag4 172.3(5) . . . . ?
C53 C54 N12 Ag4 -7.3(14) . . . . ?
C51 C52 N12 C54 0.2(9) . . . . ?
C51 C52 N12 Ag4 -171.9(6) . . . . ?
N14 C77 N13 C73 0.0(10) . . . . ?
C78 C77 N13 C73 178.3(7) . . . . ?
N14 C77 N13 Os4 -177.0(5) . . . . ?
C78 C77 N13 Os4 1.3(10) . . . . ?
C74 C73 N13 C77 -0.8(10) . . . . ?
C74 C73 N13 Os4 175.2(7) . . . . ?
N13 C77 N14 C74 0.8(10) . . . . ?
C78 C77 N14 C74 -177.1(9) . . . . ?
N13 C77 N14 Ag3 168.1(6) . . . . ?
C78 C77 N14 Ag3 -9.9(14) . . . . ?
C73 C74 N14 C77 -1.3(10) . . . . ?
C73 C74 N14 Ag3 -169.7(6) . . . . ?
N16 C78 N15 C75 0.8(11) . . . . ?
C77 C78 N15 C75 -179.0(8) . . . . ?
N16 C78 N15 Os4 -175.4(6) . . . . ?
C77 C78 N15 Os4 4.8(10) . . . . ?
C76 C75 N15 C78 -0.7(12) . . . . ?
C76 C75 N15 Os4 174.4(8) . . . . ?
N15 C78 N16 C76 -0.6(11) . . . . ?
C77 C78 N16 C76 179.2(10) . . . . ?
N15 C78 N16 Ag4 171.6(6) . . . . ?
C77 C78 N16 Ag4 -8.6(15) . . . . ?
C75 C76 N16 C78 0.2(12) . . . . ?
C75 C76 N16 Ag4 -172.7(8) . . . . ?
C14 C13 P1 C7 54.9(10) . . . . ?
C14 C13 P1 C10 163.5(9) . . . . ?
C14 C13 P1 Os1 -73.4(9) . . . . ?
C8 C7 P1 C13 49.7(10) . . . . ?
C8 C7 P1 C10 -54.8(10) . . . . ?
C8 C7 P1 Os1 180.0(8) . . . . ?
C11 C10 P1 C13 -159.4(11) . . . . ?
C11 C10 P1 C7 -49.2(11) . . . . ?
C11 C10 P1 Os1 75.6(11) . . . . ?
C20 C19 P2 C16 -42.7(11) . . . . ?
C20 C19 P2 C22 60.5(11) . . . . ?
C20 C19 P2 Os1 -171.3(8) . . . . ?
C17 C16 P2 C19 -62.5(10) . . . . ?
C17 C16 P2 C22 -175.2(9) . . . . ?
C17 C16 P2 Os1 61.8(9) . . . . ?
C32 C31 P3 C34 52.0(8) . . . . ?
C32 C31 P3 C37 -52.3(8) . . . . ?
C32 C31 P3 Os2 179.9(6) . . . . ?
C35 C34 P3 C31 53.5(9) . . . . ?
C35 C34 P3 C37 163.6(8) . . . . ?
C35 C34 P3 Os2 -73.3(8) . . . . ?
C38 C37 P3 C31 -54.6(9) . . . . ?
C38 C37 P3 C34 -163.3(9) . . . . ?
C38 C37 P3 Os2 72.8(9) . . . . ?
C41 C40 P4 C46 -67.3(10) . . . . ?
C41 C40 P4 C43 -173.3(9) . . . . ?
C41 C40 P4 Os2 59.5(10) . . . . ?
C47 C46 P4 C40 -38.4(11) . . . . ?
C47 C46 P4 C43 68.8(10) . . . . ?
C47 C46 P4 Os2 -169.7(8) . . . . ?
C44 C43 P4 C40 -53.0(11) . . . . ?
C44 C43 P4 C46 -162.9(10) . . . . ?
C44 C43 P4 Os2 77.4(11) . . . . ?
C62 C61 P5 C55 58.6(10) . . . . ?
C62 C61 P5 C58 166.9(9) . . . . ?
C62 C61 P5 Os3 -69.3(10) . . . . ?
C56 C55 P5 C61 52.0(10) . . . . ?
C56 C55 P5 C58 -53.9(11) . . . . ?
C56 C55 P5 Os3 -179.0(8) . . . . ?
C59 C58 P5 C61 -160.2(9) . . . . ?
C59 C58 P5 C55 -50.7(9) . . . . ?
C59 C58 P5 Os3 74.6(9) . . . . ?
C65 C64 P6 C70 68.3(10) . . . . ?
C65 C64 P6 C67 174.2(10) . . . . ?
C65 C64 P6 Os3 -59.5(11) . . . . ?
C71 C70 P6 C64 38.4(9) . . . . ?
C71 C70 P6 C67 -68.1(9) . . . . ?
C71 C70 P6 Os3 170.9(7) . . . . ?
C68 C67 P6 C64 49.8(9) . . . . ?
C68 C67 P6 C70 159.3(8) . . . . ?
C68 C67 P6 Os3 -80.8(8) . . . . ?
C86 C85 P7 C82 157.8(15) . . . . ?
C86 C85 P7 C79 53.0(18) . . . . ?
C86 C85 P7 Os4 -71.3(17) . . . . ?
C83 C82 P7 C85 47(2) . . . . ?
C83 C82 P7 C79 156.4(19) . . . . ?
C83 C82 P7 Os4 -83.4(19) . . . . ?
C80 C79 P7 C85 52.0(17) . . . . ?
C80 C79 P7 C82 -57.9(16) . . . . ?
C80 C79 P7 Os4 178.6(13) . . . . ?
C89 C88 P8 C91 64.7(11) . . . . ?
C89 C88 P8 C94 -177.9(10) . . . . ?
C89 C88 P8 Os4 -59.4(10) . . . . ?
C92 C91 P8 C88 41.5(10) . . . . ?
C92 C91 P8 C94 -59.4(10) . . . . ?
C92 C91 P8 Os4 170.4(8) . . . . ?

_refine_diff_density_max         1.872
_refine_diff_density_min         -1.594
_refine_diff_density_rms         0.161



