# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_monipola
_database_code_depnum_ccdc_archive 'CCDC 1531338'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40.50 H30 Ag1.50 N2.50 O2 P2 Re'
_chemical_formula_sum            'C40.50 H30 Ag1.50 N2.50 O2 P2 Re'
_chemical_formula_weight         993.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   10.252(3)
_cell_length_b                   10.457(3)
_cell_length_c                   19.169(5)
_cell_angle_alpha                77.39(5)
_cell_angle_beta                 75.51(4)
_cell_angle_gamma                65.29(5)
_cell_volume                     1792.3(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    2356
_cell_measurement_theta_min      2.79
_cell_measurement_theta_max      30.66

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_F_000             964
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    4.314
_shelx_estimated_absorpt_T_min   0.648
_shelx_estimated_absorpt_T_max   0.813
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.711
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 
;
_exptl_special_details           ?

_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14859
_diffrn_reflns_av_unetI/netI     0.1421
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.796
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.499
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6682
_reflns_number_gt                4460
_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       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0165P)²] 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         6682
_refine_ls_number_parameters     445
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0624
_refine_ls_wR_factor_ref         0.0931
_refine_ls_wR_factor_gt          0.0814
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.004
_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
Re Re 0.45551(4) 0.28337(4) 0.23235(3) 0.02317(12) Uani 1 1 d . . . . .
P1 P 0.6466(2) 0.1747(2) 0.13479(14) 0.0214(6) Uani 1 1 d . . . . .
C1A C 0.5862(9) 0.2025(8) 0.0485(5) 0.025(2) Uani 1 1 d . . . . .
C2A C 0.6515(11) 0.2478(10) -0.0183(6) 0.045(3) Uani 1 1 d . . . . .
H2A H 0.7347 0.2692 -0.0224 0.053 Uiso 1 1 calc R U . . .
C3A C 0.5961(13) 0.2624(10) -0.0796(6) 0.058(3) Uani 1 1 d . . . . .
H3A H 0.6408 0.2952 -0.1256 0.069 Uiso 1 1 calc R U . . .
C4A C 0.4763(14) 0.2298(11) -0.0747(8) 0.063(4) Uani 1 1 d . . . . .
H4A H 0.4361 0.2442 -0.1167 0.076 Uiso 1 1 calc R U . . .
C5A C 0.4164(11) 0.1770(10) -0.0093(8) 0.054(4) Uani 1 1 d . . . . .
H5A H 0.3394 0.1472 -0.0067 0.065 Uiso 1 1 calc R U . . .
C6A C 0.4656(9) 0.1662(9) 0.0527(6) 0.036(3) Uani 1 1 d . . . . .
H6A H 0.4191 0.1344 0.0984 0.043 Uiso 1 1 calc R U . . .
C1B C 0.7961(8) 0.2366(9) 0.1125(5) 0.021(2) Uani 1 1 d . . . . .
C2B C 0.7684(9) 0.3779(9) 0.0863(5) 0.031(2) Uani 1 1 d . . . . .
H2B H 0.6736 0.4394 0.0772 0.037 Uiso 1 1 calc R U . . .
C3B C 0.8774(10) 0.4321(10) 0.0729(5) 0.038(3) Uani 1 1 d . . . . .
H3B H 0.8572 0.5285 0.0531 0.046 Uiso 1 1 calc R U . . .
C4B C 1.0138(10) 0.3457(11) 0.0884(5) 0.034(3) Uani 1 1 d . . . . .
H4B H 1.0882 0.3819 0.0796 0.041 Uiso 1 1 calc R U . . .
C5B C 1.0405(10) 0.2063(11) 0.1169(5) 0.038(3) Uani 1 1 d . . . . .
H5B H 1.1337 0.1468 0.1289 0.045 Uiso 1 1 calc R U . . .
C6B C 0.9336(9) 0.1507(10) 0.1286(5) 0.029(2) Uani 1 1 d . . . . .
H6B H 0.9549 0.0537 0.1477 0.035 Uiso 1 1 calc R U . . .
C1C C 0.7457(8) -0.0212(8) 0.1460(5) 0.021(2) Uani 1 1 d . . . . .
C2C C 0.8406(8) -0.0848(9) 0.0853(5) 0.028(2) Uani 1 1 d . . . . .
H2C H 0.8525 -0.0292 0.0396 0.033 Uiso 1 1 calc R U . . .
C3C C 0.9170(9) -0.2313(10) 0.0936(6) 0.035(3) Uani 1 1 d . . . . .
H3C H 0.9845 -0.2758 0.0536 0.042 Uiso 1 1 calc R U . . .
C4C C 0.8959(11) -0.3125(10) 0.1590(7) 0.048(3) Uani 1 1 d . . . . .
H4C H 0.9470 -0.4126 0.1631 0.057 Uiso 1 1 calc R U . . .
C5C C 0.8018(12) -0.2514(11) 0.2191(7) 0.060(4) Uani 1 1 d . . . . .
H5C H 0.7888 -0.3080 0.2642 0.072 Uiso 1 1 calc R U . . .
C6C C 0.7259(10) -0.1030(10) 0.2114(6) 0.040(3) Uani 1 1 d . . . . .
H6C H 0.6602 -0.0589 0.2519 0.048 Uiso 1 1 calc R U . . .
P2 P 0.2709(2) 0.3824(3) 0.33401(14) 0.0282(6) Uani 1 1 d . . . . .
C1D C 0.3388(19) 0.3061(19) 0.4189(9) 0.044(2) Uani 0.447(9) 1 d G U P A 1
C2D C 0.3324(17) 0.1781(19) 0.4558(10) 0.055(3) Uani 0.447(9) 1 d G U P A 1
H2D H 0.2794 0.1362 0.4408 0.066 Uiso 0.447(9) 1 calc R U P A 1
C3D C 0.4034(19) 0.1115(16) 0.5147(9) 0.059(5) Uani 0.447(9) 1 d G U P A 1
H3D H 0.3990 0.0241 0.5399 0.070 Uiso 0.447(9) 1 calc R U P A 1
C4D C 0.4810(17) 0.173(2) 0.5366(9) 0.069(3) Uani 0.447(9) 1 d G U P A 1
H4D H 0.5296 0.1274 0.5768 0.083 Uiso 0.447(9) 1 calc R U P A 1
C5D C 0.4875(19) 0.301(2) 0.4997(12) 0.066(3) Uani 0.447(9) 1 d G U P A 1
H5D H 0.5405 0.3428 0.5147 0.080 Uiso 0.447(9) 1 calc R U P A 1
C6D C 0.416(2) 0.3674(16) 0.4409(12) 0.055(3) Uani 0.447(9) 1 d G U P A 1
H6D H 0.4208 0.4549 0.4157 0.066 Uiso 0.447(9) 1 calc R U P A 1
C1G C 0.3170(17) 0.3200(14) 0.4260(7) 0.044(2) Uani 0.553(9) 1 d G U P A 2
C2G C 0.2350(14) 0.2638(14) 0.4834(8) 0.055(3) Uani 0.553(9) 1 d G U P A 2
H2G H 0.1487 0.2584 0.4769 0.066 Uiso 0.553(9) 1 calc R U P A 2
C3G C 0.2792(16) 0.2157(15) 0.5505(7) 0.066(4) Uani 0.553(9) 1 d G U P A 2
H3G H 0.2232 0.1773 0.5898 0.079 Uiso 0.553(9) 1 calc R U P A 2
C4G C 0.4054(17) 0.2236(14) 0.5602(8) 0.069(3) Uani 0.553(9) 1 d G U P A 2
H4G H 0.4356 0.1907 0.6060 0.083 Uiso 0.553(9) 1 calc R U P A 2
C5G C 0.4874(13) 0.2798(15) 0.5027(10) 0.066(3) Uani 0.553(9) 1 d G U P A 2
H5G H 0.5737 0.2852 0.5093 0.080 Uiso 0.553(9) 1 calc R U P A 2
C6G C 0.4432(16) 0.3279(15) 0.4356(9) 0.055(3) Uani 0.553(9) 1 d G U P A 2
H6G H 0.4992 0.3663 0.3963 0.066 Uiso 0.553(9) 1 calc R U P A 2
C1E C 0.0919(10) 0.3719(11) 0.3461(6) 0.040(3) Uani 1 1 d . . . . .
C2E C 0.0527(9) 0.3326(9) 0.2933(6) 0.037(3) Uani 1 1 d . . . . .
H2E H 0.1235 0.2996 0.2517 0.044 Uiso 1 1 calc R U . . .
C3E C -0.0880(10) 0.3398(11) 0.2990(6) 0.048(3) Uani 1 1 d . . . . .
H3E H -0.1116 0.3086 0.2625 0.057 Uiso 1 1 calc R U . . .
C4E C -0.1893(12) 0.3904(13) 0.3556(7) 0.070(4) Uani 1 1 d . . . . .
H4E H -0.2860 0.3975 0.3589 0.084 Uiso 1 1 calc R U . . .
C5E C -0.1560(12) 0.4323(18) 0.4093(8) 0.123(7) Uani 1 1 d . . . . .
H5E H -0.2289 0.4668 0.4500 0.147 Uiso 1 1 calc R U . . .
C6E C -0.0142(12) 0.4244(16) 0.4043(7) 0.106(6) Uani 1 1 d . . . . .
H6E H 0.0087 0.4553 0.4411 0.127 Uiso 1 1 calc R U . . .
C1F C 0.217(2) 0.568(2) 0.3281(16) 0.028(3) Uani 0.5 1 d G . P A 3
C2F C 0.112(3) 0.649(3) 0.2853(15) 0.046(7) Uani 0.5 1 d G . P A 3
H2F H 0.0655 0.6056 0.2667 0.055 Uiso 0.5 1 calc R U P A 3
C3F C 0.075(2) 0.795(3) 0.2696(16) 0.042(5) Uani 0.5 1 d G . P A 3
H3F H 0.0033 0.8510 0.2403 0.051 Uiso 0.5 1 calc R U P A 3
C4F C 0.143(2) 0.859(2) 0.2967(18) 0.066(7) Uani 0.5 1 d G . P A 3
H4F H 0.1179 0.9588 0.2860 0.079 Uiso 0.5 1 calc R U P A 3
C5F C 0.248(2) 0.777(3) 0.3396(16) 0.109(14) Uani 0.5 1 d G . P A 3
H5F H 0.2947 0.8212 0.3582 0.131 Uiso 0.5 1 calc R U P A 3
C6F C 0.285(2) 0.632(3) 0.3553(14) 0.087(11) Uani 0.5 1 d G . P A 3
H6F H 0.3569 0.5758 0.3846 0.105 Uiso 0.5 1 calc R U P A 3
C1H C 0.204(2) 0.587(2) 0.3291(15) 0.028(3) Uani 0.5 1 d G . P A 4
C2H C 0.164(3) 0.670(3) 0.2646(14) 0.046(7) Uani 0.5 1 d G . P A 4
H2H H 0.1661 0.6264 0.2255 0.055 Uiso 0.5 1 calc R U P A 4
C3H C 0.122(2) 0.816(3) 0.2574(15) 0.042(5) Uani 0.5 1 d G . P A 4
H3H H 0.0946 0.8729 0.2134 0.051 Uiso 0.5 1 calc R U P A 4
C4H C 0.119(2) 0.880(2) 0.3146(18) 0.066(7) Uani 0.5 1 d G . P A 4
H4H H 0.0900 0.9798 0.3097 0.079 Uiso 0.5 1 calc R U P A 4
C5H C 0.159(2) 0.797(3) 0.3791(15) 0.109(14) Uani 0.5 1 d G . P A 4
H5H H 0.1570 0.8404 0.4181 0.131 Uiso 0.5 1 calc R U P A 4
C6H C 0.201(2) 0.651(3) 0.3863(13) 0.087(11) Uani 0.5 1 d G . P A 4
H6H H 0.2284 0.5939 0.4303 0.105 Uiso 0.5 1 calc R U P A 4
C1 C 0.3273(9) 0.3993(9) 0.1634(6) 0.030(3) Uani 1 1 d . . . . .
O1 O 0.2546(6) 0.4689(6) 0.1203(4) 0.0352(18) Uani 1 1 d . . . . .
C2 C 0.5207(8) 0.4435(8) 0.2268(5) 0.02317(12) Uani 1 1 d . . . . .
N2 N 0.5266(17) 0.5614(16) 0.2379(9) 0.026(4) Uiso 0.5 1 d . . P A .
C3 C 0.3956(10) 0.1185(12) 0.2482(6) 0.049(3) Uani 1 1 d . . . . .
N3 N 0.3972(18) -0.007(2) 0.2616(14) 0.049(3) Uani 0.5 1 d . . P B .
O2X O 0.5725(14) 0.5120(14) 0.2229(7) 0.026(3) Uiso 0.5 1 d . . P A 4
O3X O 0.3396(14) 0.0455(16) 0.2500(11) 0.049(3) Uani 0.5 1 d . . P B 4
C4 C 0.6096(10) 0.1679(9) 0.3023(6) 0.028(3) Uani 1 1 d . . . . .
N4 N 0.7012(8) 0.1140(8) 0.3343(5) 0.041(2) Uani 1 1 d . . . . .
Ag1 Ag 0.46105(15) 0.77135(13) 0.25247(8) 0.0277(4) Uani 0.5 1 d . . P . .
Ag2 Ag 0.8450(7) 0.0654(2) 0.4002(3) 0.0728(13) Uani 0.810(14) 1 d . . P C 5
N5 N 0.989(3) 0.024(2) 0.4662(13) 0.091(8) Uiso 0.405(7) 1 d . . P C 5
C5 C 1.087(3) 0.004(3) 0.492(2) 0.099(10) Uiso 0.405(7) 1 d . . P C 5
Ag3 Ag 0.771(2) 0.0527(10) 0.4377(13) 0.065(5) Uani 0.190(14) 1 d . . P C 6
N50 N 0.989(3) 0.024(2) 0.4662(13) 0.091(8) Uiso 0.095(7) 1 d . . P C 6
C50 C 1.087(3) 0.004(3) 0.492(2) 0.099(10) Uiso 0.095(7) 1 d . . P C 6


_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
Re C1 1.944(11) . ?
Re C3 2.001(10) . ?
Re C2 2.021(8) . ?
Re C4 2.123(11) . ?
Re P2 2.419(3) . ?
Re P1 2.421(3) . ?
P1 C1B 1.825(8) . ?
P1 C1A 1.832(10) . ?
P1 C1C 1.857(8) . ?
C1A C2A 1.373(13) . ?
C1A C6A 1.417(11) . ?
C2A C3A 1.382(13) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.383(14) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.360(15) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.370(14) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C2B 1.383(11) . ?
C1B C6B 1.389(10) . ?
C2B C3B 1.398(10) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.376(12) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.375(12) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.394(10) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C6C 1.377(12) . ?
C1C C2C 1.404(11) . ?
C2C C3C 1.392(11) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.376(14) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.383(14) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.408(12) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1F 1.764(19) . ?
P2 C1D 1.819(15) . ?
P2 C1E 1.838(9) . ?
P2 C1G 1.847(12) . ?
P2 C1H 1.943(19) . ?
C1D C2D 1.3900 . ?
C1D C6D 1.3900 . ?
C2D C3D 1.3900 . ?
C2D H2D 0.9500 . ?
C3D C4D 1.3900 . ?
C3D H3D 0.9500 . ?
C4D C5D 1.3900 . ?
C4D H4D 0.9500 . ?
C5D C6D 1.3900 . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1G C2G 1.3900 . ?
C1G C6G 1.3900 . ?
C2G C3G 1.3900 . ?
C2G H2G 0.9500 . ?
C3G C4G 1.3900 . ?
C3G H3G 0.9500 . ?
C4G C5G 1.3900 . ?
C4G H4G 0.9500 . ?
C5G C6G 1.3900 . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1E C2E 1.370(12) . ?
C1E C6E 1.376(14) . ?
C2E C3E 1.390(11) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.329(14) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.366(15) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.401(13) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.3900 . ?
C1F C6F 1.3900 . ?
C2F C3F 1.3900 . ?
C2F H2F 0.9500 . ?
C3F C4F 1.3900 . ?
C3F H3F 0.9500 . ?
C4F C5F 1.3900 . ?
C4F H4F 0.9500 . ?
C5F C6F 1.3900 . ?
C5F Ag1 2.38(2) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
C1H C2H 1.3900 . ?
C1H C6H 1.3900 . ?
C2H C3H 1.3900 . ?
C2H H2H 0.9500 . ?
C3H C4H 1.3900 . ?
C3H H3H 0.9500 . ?
C4H C5H 1.3900 . ?
C4H H4H 0.9500 . ?
C5H C6H 1.3900 . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1 O1 1.166(10) . ?
C2 O2X 1.037(13) . ?
C2 N2 1.324(17) . ?
N2 O2X 0.604(17) . ?
N2 Ag1 2.071(15) . ?
C3 O3X 1.122(16) . ?
C3 N3 1.28(2) . ?
N3 O3X 0.66(2) . ?
N3 Ag1 2.16(2) 1_545 ?
C4 N4 1.128(11) . ?
N4 Ag2 2.012(9) . ?
N4 Ag3 2.151(16) . ?
Ag1 N3 2.16(2) 1_565 ?
Ag2 N5 2.03(3) . ?
Ag2 C5 2.23(4) 2_756 ?
N5 C5 1.05(3) 2_756 ?
N5 C5 1.14(3) . ?
N5 N5 1.32(5) 2_756 ?
C5 N5 1.05(3) 2_756 ?
C5 C5 1.76(6) 2_756 ?
C5 Ag2 2.23(4) 2_756 ?
Ag3 C50 2.05(4) 2_756 ?
Ag3 N50 2.31(3) . ?
N50 C50 1.05(3) 2_756 ?
N50 C50 1.14(3) . ?
N50 N50 1.32(5) 2_756 ?
C50 N50 1.05(3) 2_756 ?
C50 C50 1.76(6) 2_756 ?
C50 Ag3 2.05(4) 2_756 ?

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
C1 Re C3 95.4(4) . . ?
C1 Re C2 89.8(3) . . ?
C3 Re C2 174.1(4) . . ?
C1 Re C4 174.2(4) . . ?
C3 Re C4 89.8(4) . . ?
C2 Re C4 85.2(3) . . ?
C1 Re P2 91.9(3) . . ?
C3 Re P2 90.5(3) . . ?
C2 Re P2 86.6(2) . . ?
C4 Re P2 90.7(2) . . ?
C1 Re P1 90.8(3) . . ?
C3 Re P1 88.4(3) . . ?
C2 Re P1 94.3(2) . . ?
C4 Re P1 86.7(2) . . ?
P2 Re P1 177.17(9) . . ?
C1B P1 C1A 105.0(4) . . ?
C1B P1 C1C 102.0(4) . . ?
C1A P1 C1C 100.6(4) . . ?
C1B P1 Re 113.8(3) . . ?
C1A P1 Re 114.7(3) . . ?
C1C P1 Re 118.9(3) . . ?
C2A C1A C6A 118.8(9) . . ?
C2A C1A P1 125.7(7) . . ?
C6A C1A P1 115.3(8) . . ?
C1A C2A C3A 120.0(10) . . ?
C1A C2A H2A 120.0 . . ?
C3A C2A H2A 120.0 . . ?
C2A C3A C4A 120.8(12) . . ?
C2A C3A H3A 119.6 . . ?
C4A C3A H3A 119.6 . . ?
C5A C4A C3A 119.5(11) . . ?
C5A C4A H4A 120.2 . . ?
C3A C4A H4A 120.2 . . ?
C4A C5A C6A 120.9(11) . . ?
C4A C5A H5A 119.5 . . ?
C6A C5A H5A 119.5 . . ?
C5A C6A C1A 119.8(11) . . ?
C5A C6A H6A 120.1 . . ?
C1A C6A H6A 120.1 . . ?
C2B C1B C6B 118.2(7) . . ?
C2B C1B P1 119.3(6) . . ?
C6B C1B P1 122.1(7) . . ?
C1B C2B C3B 121.3(9) . . ?
C1B C2B H2B 119.4 . . ?
C3B C2B H2B 119.4 . . ?
C4B C3B C2B 120.1(9) . . ?
C4B C3B H3B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C3B C4B C5B 118.9(8) . . ?
C3B C4B H4B 120.5 . . ?
C5B C4B H4B 120.5 . . ?
C4B C5B C6B 121.3(9) . . ?
C4B C5B H5B 119.4 . . ?
C6B C5B H5B 119.4 . . ?
C1B C6B C5B 120.2(9) . . ?
C1B C6B H6B 119.9 . . ?
C5B C6B H6B 119.9 . . ?
C6C C1C C2C 120.4(8) . . ?
C6C C1C P1 121.4(7) . . ?
C2C C1C P1 118.2(7) . . ?
C3C C2C C1C 118.5(9) . . ?
C3C C2C H2C 120.8 . . ?
C1C C2C H2C 120.8 . . ?
C4C C3C C2C 120.7(9) . . ?
C4C C3C H3C 119.6 . . ?
C2C C3C H3C 119.6 . . ?
C3C C4C C5C 121.4(9) . . ?
C3C C4C H4C 119.3 . . ?
C5C C4C H4C 119.3 . . ?
C4C C5C C6C 118.2(11) . . ?
C4C C5C H5C 120.9 . . ?
C6C C5C H5C 120.9 . . ?
C1C C6C C5C 120.7(10) . . ?
C1C C6C H6C 119.6 . . ?
C5C C6C H6C 119.6 . . ?
C1F P2 C1E 100.1(8) . . ?
C1D P2 C1E 107.8(7) . . ?
C1E P2 C1G 103.1(6) . . ?
C1E P2 C1H 98.0(8) . . ?
C1F P2 Re 112.6(8) . . ?
C1D P2 Re 110.7(6) . . ?
C1E P2 Re 118.2(3) . . ?
C1G P2 Re 118.1(5) . . ?
C1H P2 Re 114.4(7) . . ?
C2D C1D C6D 120.0 . . ?
C2D C1D P2 121.0(12) . . ?
C6D C1D P2 118.4(12) . . ?
C1D C2D C3D 120.0 . . ?
C1D C2D H2D 120.0 . . ?
C3D C2D H2D 120.0 . . ?
C4D C3D C2D 120.0 . . ?
C4D C3D H3D 120.0 . . ?
C2D C3D H3D 120.0 . . ?
C3D C4D C5D 120.0 . . ?
C3D C4D H4D 120.0 . . ?
C5D C4D H4D 120.0 . . ?
C6D C5D C4D 120.0 . . ?
C6D C5D H5D 120.0 . . ?
C4D C5D H5D 120.0 . . ?
C5D C6D C1D 120.0 . . ?
C5D C6D H6D 120.0 . . ?
C1D C6D H6D 120.0 . . ?
C2G C1G C6G 120.0 . . ?
C2G C1G P2 123.5(10) . . ?
C6G C1G P2 116.5(10) . . ?
C3G C2G C1G 120.0 . . ?
C3G C2G H2G 120.0 . . ?
C1G C2G H2G 120.0 . . ?
C2G C3G C4G 120.0 . . ?
C2G C3G H3G 120.0 . . ?
C4G C3G H3G 120.0 . . ?
C5G C4G C3G 120.0 . . ?
C5G C4G H4G 120.0 . . ?
C3G C4G H4G 120.0 . . ?
C4G C5G C6G 120.0 . . ?
C4G C5G H5G 120.0 . . ?
C6G C5G H5G 120.0 . . ?
C5G C6G C1G 120.0 . . ?
C5G C6G H6G 120.0 . . ?
C1G C6G H6G 120.0 . . ?
C2E C1E C6E 117.9(9) . . ?
C2E C1E P2 121.8(8) . . ?
C6E C1E P2 119.6(8) . . ?
C1E C2E C3E 121.8(9) . . ?
C1E C2E H2E 119.1 . . ?
C3E C2E H2E 119.1 . . ?
C4E C3E C2E 119.6(10) . . ?
C4E C3E H3E 120.2 . . ?
C2E C3E H3E 120.2 . . ?
C3E C4E C5E 120.8(10) . . ?
C3E C4E H4E 119.6 . . ?
C5E C4E H4E 119.6 . . ?
C4E C5E C6E 119.9(11) . . ?
C4E C5E H5E 120.1 . . ?
C6E C5E H5E 120.1 . . ?
C1E C6E C5E 120.0(11) . . ?
C1E C6E H6E 120.0 . . ?
C5E C6E H6E 120.0 . . ?
C2F C1F C6F 120.0 . . ?
C2F C1F P2 115.3(16) . . ?
C6F C1F P2 124.1(15) . . ?
C1F C2F C3F 120.0 . . ?
C1F C2F H2F 120.0 . . ?
C3F C2F H2F 120.0 . . ?
C2F C3F C4F 120.0 . . ?
C2F C3F H3F 120.0 . . ?
C4F C3F H3F 120.0 . . ?
C3F C4F C5F 120.0 . . ?
C3F C4F H4F 120.0 . . ?
C5F C4F H4F 120.0 . . ?
C6F C5F C4F 120.0 . . ?
C6F C5F Ag1 97.3(10) . . ?
C4F C5F Ag1 99.1(10) . . ?
C6F C5F H5F 120.0 . . ?
C4F C5F H5F 120.0 . . ?
Ag1 C5F H5F 73.4 . . ?
C5F C6F C1F 120.0 . . ?
C5F C6F H6F 120.0 . . ?
C1F C6F H6F 120.0 . . ?
C2H C1H C6H 120.0 . . ?
C2H C1H P2 117.9(15) . . ?
C6H C1H P2 122.0(15) . . ?
C3H C2H C1H 120.0 . . ?
C3H C2H H2H 120.0 . . ?
C1H C2H H2H 120.0 . . ?
C2H C3H C4H 120.0 . . ?
C2H C3H H3H 120.0 . . ?
C4H C3H H3H 120.0 . . ?
C3H C4H C5H 120.0 . . ?
C3H C4H H4H 120.0 . . ?
C5H C4H H4H 120.0 . . ?
C6H C5H C4H 120.0 . . ?
C6H C5H H5H 120.0 . . ?
C4H C5H H5H 120.0 . . ?
C5H C6H C1H 120.0 . . ?
C5H C6H H6H 120.0 . . ?
C1H C6H H6H 120.0 . . ?
O1 C1 Re 177.6(8) . . ?
O2X C2 N2 26.2(10) . . ?
O2X C2 Re 169.9(10) . . ?
N2 C2 Re 162.6(10) . . ?
O2X N2 C2 49(2) . . ?
O2X N2 Ag1 146(3) . . ?
C2 N2 Ag1 160.2(12) . . ?
O3X C3 N3 31.3(11) . . ?
O3X C3 Re 165.8(12) . . ?
N3 C3 Re 162.5(11) . . ?
O3X N3 C3 61(2) . . ?
O3X N3 Ag1 125(3) . 1_545 ?
C3 N3 Ag1 160.0(17) . 1_545 ?
N2 O2X C2 104(3) . . ?
N3 O3X C3 87(3) . . ?
N4 C4 Re 172.2(9) . . ?
C4 N4 Ag2 165.7(8) . . ?
C4 N4 Ag3 148.9(11) . . ?
N2 Ag1 N3 177.0(8) . 1_565 ?
N2 Ag1 C5F 94.9(7) . . ?
N3 Ag1 C5F 87.6(8) 1_565 . ?
N4 Ag2 N5 178.0(7) . . ?
N4 Ag2 C5 152.7(9) . 2_756 ?
N5 Ag2 C5 28.1(9) . 2_756 ?
C5 N5 C5 106(3) 2_756 . ?
C5 N5 N5 56(2) 2_756 2_756 ?
C5 N5 N5 50(2) . 2_756 ?
C5 N5 Ag2 86(4) 2_756 . ?
C5 N5 Ag2 168(4) . . ?
N5 N5 Ag2 142(4) 2_756 . ?
N5 C5 N5 74(3) 2_756 . ?
N5 C5 C5 38.7(19) 2_756 2_756 ?
N5 C5 C5 35.1(17) . 2_756 ?
N5 C5 Ag2 66(3) 2_756 2_756 ?
N5 C5 Ag2 140(4) . 2_756 ?
C5 C5 Ag2 104(3) 2_756 2_756 ?
C50 Ag3 N4 156.7(19) 2_756 . ?
C50 Ag3 N50 27.0(9) 2_756 . ?
N4 Ag3 N50 129.9(16) . . ?
C50 N50 C50 106(3) 2_756 . ?
C50 N50 N50 56(2) 2_756 2_756 ?
C50 N50 N50 50(2) . 2_756 ?
C50 N50 Ag3 63(3) 2_756 . ?
C50 N50 Ag3 169(4) . . ?
N50 N50 Ag3 119(3) 2_756 . ?
N50 C50 N50 74(3) 2_756 . ?
N50 C50 C50 38.7(19) 2_756 2_756 ?
N50 C50 C50 35.1(17) . 2_756 ?
N50 C50 Ag3 90(4) 2_756 2_756 ?
N50 C50 Ag3 164(4) . 2_756 ?
C50 C50 Ag3 129(4) 2_756 2_756 ?

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
C1B P1 C1A C2A 5.4(9) . . . . ?
C1C P1 C1A C2A -100.1(8) . . . . ?
C1B P1 C1A C6A -177.9(6) . . . . ?
C1C P1 C1A C6A 76.5(7) . . . . ?
C6A C1A C2A C3A 2.4(14) . . . . ?
P1 C1A C2A C3A 179.0(7) . . . . ?
C1A C2A C3A C4A -0.9(16) . . . . ?
C2A C3A C4A C5A -2.9(17) . . . . ?
C3A C4A C5A C6A 5.2(16) . . . . ?
C4A C5A C6A C1A -3.7(15) . . . . ?
C2A C1A C6A C5A -0.1(13) . . . . ?
P1 C1A C6A C5A -177.0(7) . . . . ?
C1A P1 C1B C2B 63.0(8) . . . . ?
C1C P1 C1B C2B 167.6(7) . . . . ?
C1A P1 C1B C6B -124.5(7) . . . . ?
C1C P1 C1B C6B -20.0(8) . . . . ?
C6B C1B C2B C3B 3.1(14) . . . . ?
P1 C1B C2B C3B 175.8(7) . . . . ?
C3B C4B C5B C6B 1.5(14) . . . . ?
C2B C1B C6B C5B -1.4(13) . . . . ?
P1 C1B C6B C5B -173.9(7) . . . . ?
C1B P1 C1C C6C 117.6(8) . . . . ?
C1A P1 C1C C6C -134.4(8) . . . . ?
C1B P1 C1C C2C -63.3(7) . . . . ?
C1A P1 C1C C2C 44.7(7) . . . . ?
C6C C1C C2C C3C -1.9(12) . . . . ?
P1 C1C C2C C3C 179.0(6) . . . . ?
P1 C1C C6C C5C -180.0(7) . . . . ?
C1E P2 C1D C2D 45.9(11) . . . . ?
C1E P2 C1D C6D -143.2(8) . . . . ?
P2 C1D C2D C3D 170.7(13) . . . . ?
P2 C1D C6D C5D -170.9(12) . . . . ?
C1E P2 C1G C2G 7.2(9) . . . . ?
C1E P2 C1G C6G -174.5(6) . . . . ?
P2 C1G C2G C3G 178.3(10) . . . . ?
P2 C1G C6G C5G -178.4(9) . . . . ?
C1F P2 C1E C2E 111.3(13) . . . . ?
C1D P2 C1E C2E -137.8(10) . . . . ?
C1G P2 C1E C2E -143.6(9) . . . . ?
C1F P2 C1E C6E -58.8(15) . . . . ?
C1D P2 C1E C6E 52.1(13) . . . . ?
C1G P2 C1E C6E 46.3(12) . . . . ?
C1H P2 C1E C6E -58.2(14) . . . . ?
P2 C1E C2E C3E -172.8(8) . . . . ?
P2 C1E C6E C5E 172.5(12) . . . . ?
C1E P2 C1F C2F -43.3(11) . . . . ?
C1E P2 C1F C6F 145.1(12) . . . . ?
C6F C1F C2F C3F 0.0 . . . . ?
P2 C1F C2F C3F -172.0(16) . . . . ?
P2 C1F C6F C5F 171.2(18) . . . . ?
P2 C1H C2H C3H -177.2(15) . . . . ?
P2 C1H C6H C5H 177.1(15) . . . . ?
C5 N5 C5 N5 0.000(4) 2_756 . . 2_756 ?
N5 N5 C5 C5 0.000(3) 2_756 . . 2_756 ?
C50 N50 C50 N50 0.000(4) 2_756 . . 2_756 ?
N50 N50 C50 C50 0.000(3) 2_756 . . 2_756 ?

_refine_diff_density_max         1.30
_refine_diff_density_min         -1.19
_refine_diff_density_rms         0.191

####################################################################### 
# 
# 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_mora1ba
_database_code_depnum_ccdc_archive 'CCDC 1531340'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C116 H90 Ag2 N4 O4 P6 Re2'
_chemical_formula_sum            'C116 H90 Ag2 N4 O4 P6 Re2'
_chemical_formula_weight         2377.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.864(4)
_cell_length_b                   14.241(4)
_cell_length_c                   15.442(5)
_cell_angle_alpha                93.85(3)
_cell_angle_beta                 107.03(3)
_cell_angle_gamma                110.46(3)
_cell_volume                     2488.5(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6402
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      30.72

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_F_000             1180
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    2.96
_shelx_estimated_absorpt_T_min   0.589
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 
;
_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25067
_diffrn_reflns_av_unetI/netI     0.0980
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.691
_diffrn_reflns_theta_max         30.787
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13932
_reflns_number_gt                10545
_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       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies,Version 1.171.36.21'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0183P)²] 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         13932
_refine_ls_number_parameters     604
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0531
_refine_ls_wR_factor_ref         0.0787
_refine_ls_wR_factor_gt          0.0706
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_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
Re Re 0.33138(2) 0.29617(2) 0.24809(2) 0.01386(5) Uani 1 1 d . . . . .
Ag Ag 0.44071(3) 0.69134(2) 0.39566(2) 0.01773(8) Uani 1 1 d . . . . .
P1 P 0.52038(10) 0.35301(8) 0.22560(8) 0.0151(2) Uani 1 1 d . . . . .
C1A C 0.5410(4) 0.2762(3) 0.1364(3) 0.0142(9) Uani 1 1 d . . . . .
C2A C 0.4459(4) 0.2082(3) 0.0638(3) 0.0183(10) Uani 1 1 d . . . . .
H2A H 0.3682 0.1997 0.0608 0.022 Uiso 1 1 calc R U . . .
C3A C 0.4617(4) 0.1523(3) -0.0045(3) 0.0247(11) Uani 1 1 d . . . . .
H3A H 0.3953 0.1055 -0.0535 0.030 Uiso 1 1 calc R U . . .
C4A C 0.5747(4) 0.1650(3) -0.0011(3) 0.0248(11) Uani 1 1 d . . . . .
H4A H 0.5862 0.1270 -0.0479 0.030 Uiso 1 1 calc R U . . .
C5A C 0.6706(4) 0.2330(4) 0.0707(3) 0.0269(12) Uani 1 1 d . . . . .
H5A H 0.7480 0.2413 0.0734 0.032 Uiso 1 1 calc R U . . .
C6A C 0.6549(4) 0.2889(3) 0.1383(3) 0.0216(10) Uani 1 1 d . . . . .
H6A H 0.7215 0.3365 0.1866 0.026 Uiso 1 1 calc R U . . .
C1B C 0.6371(4) 0.3589(3) 0.3304(3) 0.0169(10) Uani 1 1 d . . . . .
C2B C 0.6595(4) 0.2714(3) 0.3457(3) 0.0219(11) Uani 1 1 d . . . . .
H2B H 0.6217 0.2125 0.2983 0.026 Uiso 1 1 calc R U . . .
C3B C 0.7358(4) 0.2693(4) 0.4289(4) 0.0302(13) Uani 1 1 d . . . . .
H3B H 0.7507 0.2093 0.4383 0.036 Uiso 1 1 calc R U . . .
C4B C 0.7905(4) 0.3545(4) 0.4986(4) 0.0337(13) Uani 1 1 d . . . . .
H4B H 0.8440 0.3535 0.5556 0.040 Uiso 1 1 calc R U . . .
C5B C 0.7670(4) 0.4418(3) 0.4849(3) 0.0328(13) Uani 1 1 d . . . . .
H5B H 0.8035 0.5004 0.5328 0.039 Uiso 1 1 calc R U . . .
C6B C 0.6901(4) 0.4422(3) 0.4011(3) 0.0251(11) Uani 1 1 d . . . . .
H6B H 0.6734 0.5015 0.3921 0.030 Uiso 1 1 calc R U . . .
C1C C 0.5762(4) 0.4792(3) 0.1940(3) 0.0178(10) Uani 1 1 d . . . . .
C2C C 0.4973(4) 0.5153(3) 0.1396(4) 0.0267(12) Uani 1 1 d . . . . .
H2C H 0.4149 0.4787 0.1247 0.032 Uiso 1 1 calc R U . . .
C3C C 0.5381(4) 0.6048(4) 0.1067(4) 0.0303(13) Uani 1 1 d . . . . .
H3C H 0.4835 0.6294 0.0700 0.036 Uiso 1 1 calc R U . . .
C4C C 0.6573(4) 0.6581(4) 0.1272(4) 0.0302(13) Uani 1 1 d . . . . .
H4C H 0.6849 0.7186 0.1038 0.036 Uiso 1 1 calc R U . . .
C5C C 0.7358(4) 0.6232(3) 0.1815(4) 0.0344(14) Uani 1 1 d . . . . .
H5C H 0.8181 0.6605 0.1965 0.041 Uiso 1 1 calc R U . . .
C6C C 0.6963(4) 0.5342(3) 0.2148(4) 0.0278(12) Uani 1 1 d . . . . .
H6C H 0.7516 0.5106 0.2520 0.033 Uiso 1 1 calc R U . . .
P2 P 0.15117(10) 0.25332(8) 0.28373(9) 0.0167(3) Uani 1 1 d . . . . .
C1D C 0.1537(4) 0.2298(3) 0.3995(3) 0.0193(10) Uani 1 1 d . . . . .
C2D C 0.0642(4) 0.1502(3) 0.4154(4) 0.0258(11) Uani 1 1 d . . . . .
H2D H 0.0010 0.1025 0.3650 0.031 Uiso 1 1 calc R U . . .
C3D C 0.0683(5) 0.1412(4) 0.5057(4) 0.0342(14) Uani 1 1 d . . . . .
H3D H 0.0071 0.0876 0.5163 0.041 Uiso 1 1 calc R U . . .
C4D C 0.1596(5) 0.2087(3) 0.5793(4) 0.0283(12) Uani 1 1 d . . . . .
H4D H 0.1620 0.2011 0.6404 0.034 Uiso 1 1 calc R U . . .
C5D C 0.2482(4) 0.2876(4) 0.5647(4) 0.0271(12) Uani 1 1 d . . . . .
H5D H 0.3116 0.3343 0.6158 0.032 Uiso 1 1 calc R U . . .
C6D C 0.2449(4) 0.2989(3) 0.4761(3) 0.0181(10) Uani 1 1 d . . . . .
H6D H 0.3054 0.3544 0.4667 0.022 Uiso 1 1 calc R U . . .
C1E C 0.0804(4) 0.3468(3) 0.2749(3) 0.0191(10) Uani 1 1 d . . . . .
C2E C 0.1155(4) 0.4295(3) 0.2310(3) 0.0206(10) Uani 1 1 d . . . . .
H2E H 0.1725 0.4353 0.2019 0.025 Uiso 1 1 calc R U . . .
C3E C 0.0670(4) 0.5031(3) 0.2299(3) 0.0227(11) Uani 1 1 d . . . . .
H3E H 0.0900 0.5582 0.1990 0.027 Uiso 1 1 calc R U . . .
C4E C -0.0139(4) 0.4965(3) 0.2733(3) 0.0242(11) Uani 1 1 d . . . . .
H4E H -0.0448 0.5480 0.2737 0.029 Uiso 1 1 calc R U . . .
C5E C -0.0504(4) 0.4148(3) 0.3165(3) 0.0254(11) Uani 1 1 d . . . . .
H5E H -0.1075 0.4096 0.3454 0.030 Uiso 1 1 calc R U . . .
C6E C -0.0033(4) 0.3407(3) 0.3174(3) 0.0232(11) Uani 1 1 d . . . . .
H6E H -0.0282 0.2851 0.3473 0.028 Uiso 1 1 calc R U . . .
C1F C 0.0357(4) 0.1384(3) 0.2052(3) 0.0229(11) Uani 1 1 d . . . . .
C2F C -0.0495(4) 0.1428(4) 0.1297(3) 0.0264(12) Uani 1 1 d . . . . .
H2F H -0.0573 0.2061 0.1231 0.032 Uiso 1 1 calc R U . . .
C3F C -0.1256(4) 0.0557(4) 0.0615(4) 0.0398(15) Uani 1 1 d . . . . .
H3F H -0.1827 0.0605 0.0085 0.048 Uiso 1 1 calc R U . . .
C4F C -0.1165(5) -0.0365(4) 0.0725(4) 0.0438(16) Uani 1 1 d . . . . .
H4F H -0.1683 -0.0959 0.0272 0.053 Uiso 1 1 calc R U . . .
C5F C -0.0329(4) -0.0431(4) 0.1486(4) 0.0361(14) Uani 1 1 d . . . . .
H5F H -0.0274 -0.1072 0.1555 0.043 Uiso 1 1 calc R U . . .
C6F C 0.0436(4) 0.0432(3) 0.2157(4) 0.0304(12) Uani 1 1 d . . . . .
H6F H 0.1008 0.0380 0.2683 0.037 Uiso 1 1 calc R U . . .
P3 P 0.38876(10) 0.80184(8) 0.29941(8) 0.0163(3) Uani 1 1 d . . . . .
C1G C 0.3202(4) 0.8741(3) 0.3474(3) 0.0176(10) Uani 1 1 d . . . . .
C2G C 0.3807(4) 0.9748(3) 0.3923(3) 0.0252(11) Uani 1 1 d . . . . .
H2G H 0.4583 1.0113 0.3926 0.030 Uiso 1 1 calc R U . . .
C3G C 0.3280(5) 1.0229(4) 0.4373(4) 0.0337(13) Uani 1 1 d . . . . .
H3G H 0.3701 1.0920 0.4682 0.040 Uiso 1 1 calc R U . . .
C4G C 0.2161(5) 0.9711(4) 0.4371(4) 0.0346(13) Uani 1 1 d . . . . .
H4G H 0.1808 1.0043 0.4679 0.042 Uiso 1 1 calc R U . . .
C5G C 0.1541(5) 0.8705(4) 0.3921(4) 0.0328(13) Uani 1 1 d . . . . .
H5G H 0.0760 0.8348 0.3913 0.039 Uiso 1 1 calc R U . . .
C6G C 0.2067(4) 0.8224(3) 0.3484(3) 0.0257(11) Uani 1 1 d . . . . .
H6G H 0.1647 0.7529 0.3185 0.031 Uiso 1 1 calc R U . . .
C1H C 0.5109(4) 0.8962(3) 0.2766(3) 0.0169(10) Uani 1 1 d . . . . .
C2H C 0.4953(4) 0.9680(3) 0.2235(3) 0.0205(10) Uani 1 1 d . . . . .
H2H H 0.4198 0.9712 0.2008 0.025 Uiso 1 1 calc R U . . .
C3H C 0.5890(4) 1.0351(3) 0.2032(3) 0.0245(11) Uani 1 1 d . . . . .
H3H H 0.5773 1.0838 0.1664 0.029 Uiso 1 1 calc R U . . .
C4H C 0.6997(4) 1.0313(3) 0.2365(4) 0.0306(12) Uani 1 1 d . . . . .
H4H H 0.7639 1.0775 0.2227 0.037 Uiso 1 1 calc R U . . .
C5H C 0.7162(5) 0.9607(4) 0.2895(4) 0.0365(14) Uani 1 1 d . . . . .
H5H H 0.7920 0.9582 0.3126 0.044 Uiso 1 1 calc R U . . .
C6H C 0.6216(4) 0.8927(3) 0.3094(4) 0.0283(12) Uani 1 1 d . . . . .
H6H H 0.6333 0.8436 0.3457 0.034 Uiso 1 1 calc R U . . .
C1I C 0.2812(4) 0.7364(3) 0.1851(3) 0.0174(10) Uani 1 1 d . . . . .
C2I C 0.2878(4) 0.6482(3) 0.1462(3) 0.0225(11) Uani 1 1 d . . . . .
H2I H 0.3482 0.6266 0.1780 0.027 Uiso 1 1 calc R U . . .
C3I C 0.2068(5) 0.5921(4) 0.0619(4) 0.0346(13) Uani 1 1 d . . . . .
H3I H 0.2131 0.5334 0.0347 0.042 Uiso 1 1 calc R U . . .
C4I C 0.1166(5) 0.6212(4) 0.0169(4) 0.0372(14) Uani 1 1 d . . . . .
H4I H 0.0596 0.5814 -0.0403 0.045 Uiso 1 1 calc R U . . .
C5I C 0.1089(4) 0.7081(4) 0.0551(4) 0.0347(14) Uani 1 1 d . . . . .
H5I H 0.0462 0.7275 0.0242 0.042 Uiso 1 1 calc R U . . .
C6I C 0.1923(4) 0.7670(4) 0.1381(3) 0.0243(11) Uani 1 1 d . . . . .
H6I H 0.1888 0.8282 0.1628 0.029 Uiso 1 1 calc R U . . .
C10 C 0.3847(4) 0.4514(3) 0.3097(3) 0.0162(10) Uani 1 1 d . . . . .
N1 N 0.4173(3) 0.5342(3) 0.3468(3) 0.0242(10) Uani 1 1 d . . . . .
C20 C 0.4199(4) 0.2819(3) 0.3817(3) 0.0172(10) Uani 1 1 d . . . . .
N2 N 0.4700(3) 0.2770(3) 0.4555(3) 0.0218(9) Uani 1 1 d . . . . .
C2 C 0.2984(4) 0.1548(3) 0.2057(3) 0.0182(10) Uani 1 1 d . . . . .
O2 O 0.2814(3) 0.0698(2) 0.1806(2) 0.0265(8) Uani 1 1 d . . . . .
C1 C 0.2472(4) 0.3070(3) 0.1253(3) 0.0193(10) Uani 1 1 d . . . . .
O1 O 0.1929(3) 0.3088(2) 0.0509(2) 0.0283(8) 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
Re C2 1.929(5) . ?
Re C1 1.935(5) . ?
Re C20 2.107(5) . ?
Re C10 2.130(4) . ?
Re P1 2.4173(15) . ?
Re P2 2.4192(14) . ?
Ag N2 2.181(4) 2_666 ?
Ag N1 2.200(4) . ?
Ag P3 2.3662(13) . ?
P1 C1B 1.830(4) . ?
P1 C1A 1.838(5) . ?
P1 C1C 1.846(4) . ?
C1A C2A 1.383(6) . ?
C1A C6A 1.403(6) . ?
C2A C3A 1.383(6) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.385(6) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.382(7) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.374(6) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C6B 1.375(6) . ?
C1B C2B 1.393(5) . ?
C2B C3B 1.379(6) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.382(7) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.395(6) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.382(6) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.386(6) . ?
C1C C6C 1.391(6) . ?
C2C C3C 1.390(6) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.377(7) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.371(6) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.385(6) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1F 1.825(5) . ?
P2 C1D 1.834(5) . ?
P2 C1E 1.849(4) . ?
C1D C2D 1.400(6) . ?
C1D C6D 1.403(6) . ?
C2D C3D 1.396(7) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.369(7) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.379(6) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.378(6) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C6E 1.397(6) . ?
C1E C2E 1.402(6) . ?
C2E C3E 1.394(6) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.374(6) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.388(6) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.387(6) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.370(6) . ?
C1F C6F 1.412(6) . ?
C2F C3F 1.406(7) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.375(7) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.376(7) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.393(7) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
P3 C1G 1.818(5) . ?
P3 C1H 1.819(4) . ?
P3 C1I 1.829(5) . ?
C1G C2G 1.382(6) . ?
C1G C6G 1.391(6) . ?
C2G C3G 1.395(7) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.368(7) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.383(7) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.384(6) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.384(6) . ?
C1H C6H 1.385(6) . ?
C2H C3H 1.386(6) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.388(7) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.372(6) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.396(7) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C6I 1.388(6) . ?
C1I C2I 1.397(6) . ?
C2I C3I 1.380(6) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.379(7) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.382(7) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.385(7) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
C10 N1 1.147(5) . ?
C20 N2 1.153(5) . ?
N2 Ag 2.181(4) 2_666 ?
C2 O2 1.168(5) . ?
C1 O1 1.164(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Re C1 90.65(18) . . ?
C2 Re C20 88.70(18) . . ?
C1 Re C20 178.84(18) . . ?
C2 Re C10 172.75(17) . . ?
C1 Re C10 96.27(17) . . ?
C20 Re C10 84.42(16) . . ?
C2 Re P1 92.35(13) . . ?
C1 Re P1 94.01(14) . . ?
C20 Re P1 86.98(13) . . ?
C10 Re P1 85.03(12) . . ?
C2 Re P2 92.43(13) . . ?
C1 Re P2 89.14(14) . . ?
C20 Re P2 89.92(13) . . ?
C10 Re P2 89.83(12) . . ?
P1 Re P2 174.24(4) . . ?
N2 Ag N1 105.95(14) 2_666 . ?
N2 Ag P3 129.01(10) 2_666 . ?
N1 Ag P3 124.91(11) . . ?
C1B P1 C1A 102.9(2) . . ?
C1B P1 C1C 104.5(2) . . ?
C1A P1 C1C 99.1(2) . . ?
C1B P1 Re 110.84(15) . . ?
C1A P1 Re 118.92(14) . . ?
C1C P1 Re 118.49(15) . . ?
C2A C1A C6A 118.3(4) . . ?
C2A C1A P1 121.3(3) . . ?
C6A C1A P1 120.3(3) . . ?
C1A C2A C3A 121.3(4) . . ?
C1A C2A H2A 119.4 . . ?
C3A C2A H2A 119.4 . . ?
C2A C3A C4A 119.7(5) . . ?
C2A C3A H3A 120.1 . . ?
C4A C3A H3A 120.1 . . ?
C5A C4A C3A 119.6(5) . . ?
C5A C4A H4A 120.2 . . ?
C3A C4A H4A 120.2 . . ?
C6A C5A C4A 120.6(5) . . ?
C6A C5A H5A 119.7 . . ?
C4A C5A H5A 119.7 . . ?
C5A C6A C1A 120.4(4) . . ?
C5A C6A H6A 119.8 . . ?
C1A C6A H6A 119.8 . . ?
C6B C1B C2B 118.5(4) . . ?
C6B C1B P1 121.3(3) . . ?
C2B C1B P1 119.4(3) . . ?
C3B C2B C1B 120.9(4) . . ?
C3B C2B H2B 119.5 . . ?
C1B C2B H2B 119.5 . . ?
C2B C3B C4B 119.9(4) . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C3B C4B C5B 119.8(5) . . ?
C3B C4B H4B 120.1 . . ?
C5B C4B H4B 120.1 . . ?
C6B C5B C4B 119.3(4) . . ?
C6B C5B H5B 120.4 . . ?
C4B C5B H5B 120.4 . . ?
C1B C6B C5B 121.6(4) . . ?
C1B C6B H6B 119.2 . . ?
C5B C6B H6B 119.2 . . ?
C2C C1C C6C 118.7(4) . . ?
C2C C1C P1 119.6(3) . . ?
C6C C1C P1 121.3(3) . . ?
C1C C2C C3C 120.4(4) . . ?
C1C C2C H2C 119.8 . . ?
C3C C2C H2C 119.8 . . ?
C4C C3C C2C 120.3(4) . . ?
C4C C3C H3C 119.9 . . ?
C2C C3C H3C 119.9 . . ?
C5C C4C C3C 119.6(4) . . ?
C5C C4C H4C 120.2 . . ?
C3C C4C H4C 120.2 . . ?
C4C C5C C6C 120.6(5) . . ?
C4C C5C H5C 119.7 . . ?
C6C C5C H5C 119.7 . . ?
C5C C6C C1C 120.4(4) . . ?
C5C C6C H6C 119.8 . . ?
C1C C6C H6C 119.8 . . ?
C1F P2 C1D 104.9(2) . . ?
C1F P2 C1E 103.3(2) . . ?
C1D P2 C1E 98.9(2) . . ?
C1F P2 Re 110.69(16) . . ?
C1D P2 Re 118.89(15) . . ?
C1E P2 Re 118.13(15) . . ?
C2D C1D C6D 118.1(5) . . ?
C2D C1D P2 123.1(4) . . ?
C6D C1D P2 118.6(3) . . ?
C3D C2D C1D 119.8(5) . . ?
C3D C2D H2D 120.1 . . ?
C1D C2D H2D 120.1 . . ?
C4D C3D C2D 120.8(5) . . ?
C4D C3D H3D 119.6 . . ?
C2D C3D H3D 119.6 . . ?
C3D C4D C5D 120.1(5) . . ?
C3D C4D H4D 120.0 . . ?
C5D C4D H4D 120.0 . . ?
C6D C5D C4D 120.0(5) . . ?
C6D C5D H5D 120.0 . . ?
C4D C5D H5D 120.0 . . ?
C5D C6D C1D 121.1(4) . . ?
C5D C6D H6D 119.4 . . ?
C1D C6D H6D 119.4 . . ?
C6E C1E C2E 118.5(4) . . ?
C6E C1E P2 120.8(3) . . ?
C2E C1E P2 120.6(4) . . ?
C3E C2E C1E 120.1(4) . . ?
C3E C2E H2E 119.9 . . ?
C1E C2E H2E 119.9 . . ?
C4E C3E C2E 120.5(4) . . ?
C4E C3E H3E 119.8 . . ?
C2E C3E H3E 119.8 . . ?
C3E C4E C5E 120.2(4) . . ?
C3E C4E H4E 119.9 . . ?
C5E C4E H4E 119.9 . . ?
C6E C5E C4E 119.8(5) . . ?
C6E C5E H5E 120.1 . . ?
C4E C5E H5E 120.1 . . ?
C5E C6E C1E 120.9(4) . . ?
C5E C6E H6E 119.5 . . ?
C1E C6E H6E 119.5 . . ?
C2F C1F C6F 118.7(4) . . ?
C2F C1F P2 122.0(3) . . ?
C6F C1F P2 118.8(4) . . ?
C1F C2F C3F 121.4(5) . . ?
C1F C2F H2F 119.3 . . ?
C3F C2F H2F 119.3 . . ?
C4F C3F C2F 119.2(5) . . ?
C4F C3F H3F 120.4 . . ?
C2F C3F H3F 120.4 . . ?
C3F C4F C5F 120.4(5) . . ?
C3F C4F H4F 119.8 . . ?
C5F C4F H4F 119.8 . . ?
C4F C5F C6F 120.6(5) . . ?
C4F C5F H5F 119.7 . . ?
C6F C5F H5F 119.7 . . ?
C5F C6F C1F 119.7(5) . . ?
C5F C6F H6F 120.2 . . ?
C1F C6F H6F 120.2 . . ?
C1G P3 C1H 105.6(2) . . ?
C1G P3 C1I 104.3(2) . . ?
C1H P3 C1I 104.6(2) . . ?
C1G P3 Ag 112.12(14) . . ?
C1H P3 Ag 115.07(14) . . ?
C1I P3 Ag 114.16(14) . . ?
C2G C1G C6G 118.7(4) . . ?
C2G C1G P3 122.6(4) . . ?
C6G C1G P3 118.2(3) . . ?
C1G C2G C3G 120.2(5) . . ?
C1G C2G H2G 119.9 . . ?
C3G C2G H2G 119.9 . . ?
C4G C3G C2G 120.4(5) . . ?
C4G C3G H3G 119.8 . . ?
C2G C3G H3G 119.8 . . ?
C3G C4G C5G 120.2(5) . . ?
C3G C4G H4G 119.9 . . ?
C5G C4G H4G 119.9 . . ?
C4G C5G C6G 119.5(5) . . ?
C4G C5G H5G 120.2 . . ?
C6G C5G H5G 120.2 . . ?
C5G C6G C1G 121.0(5) . . ?
C5G C6G H6G 119.5 . . ?
C1G C6G H6G 119.5 . . ?
C2H C1H C6H 119.0(4) . . ?
C2H C1H P3 122.0(3) . . ?
C6H C1H P3 118.9(3) . . ?
C1H C2H C3H 120.5(4) . . ?
C1H C2H H2H 119.7 . . ?
C3H C2H H2H 119.7 . . ?
C2H C3H C4H 120.1(4) . . ?
C2H C3H H3H 119.9 . . ?
C4H C3H H3H 119.9 . . ?
C5H C4H C3H 119.8(5) . . ?
C5H C4H H4H 120.1 . . ?
C3H C4H H4H 120.1 . . ?
C4H C5H C6H 120.0(5) . . ?
C4H C5H H5H 120.0 . . ?
C6H C5H H5H 120.0 . . ?
C1H C6H C5H 120.6(4) . . ?
C1H C6H H6H 119.7 . . ?
C5H C6H H6H 119.7 . . ?
C6I C1I C2I 119.3(4) . . ?
C6I C1I P3 124.0(4) . . ?
C2I C1I P3 116.7(3) . . ?
C3I C2I C1I 120.2(5) . . ?
C3I C2I H2I 119.9 . . ?
C1I C2I H2I 119.9 . . ?
C4I C3I C2I 120.1(5) . . ?
C4I C3I H3I 119.9 . . ?
C2I C3I H3I 119.9 . . ?
C3I C4I C5I 120.1(5) . . ?
C3I C4I H4I 119.9 . . ?
C5I C4I H4I 119.9 . . ?
C4I C5I C6I 120.2(5) . . ?
C4I C5I H5I 119.9 . . ?
C6I C5I H5I 119.9 . . ?
C5I C6I C1I 120.0(5) . . ?
C5I C6I H6I 120.0 . . ?
C1I C6I H6I 120.0 . . ?
N1 C10 Re 176.4(4) . . ?
C10 N1 Ag 166.6(4) . . ?
N2 C20 Re 178.0(4) . . ?
C20 N2 Ag 163.6(4) . 2_666 ?
O2 C2 Re 178.3(4) . . ?
O1 C1 Re 176.8(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
C1B P1 C1A C2A 144.2(3) . . . . ?
C1C P1 C1A C2A -108.6(4) . . . . ?
C1B P1 C1A C6A -38.8(4) . . . . ?
C1C P1 C1A C6A 68.5(4) . . . . ?
C6A C1A C2A C3A 1.3(6) . . . . ?
P1 C1A C2A C3A 178.4(3) . . . . ?
C1A C2A C3A C4A -0.6(7) . . . . ?
C2A C3A C4A C5A 0.2(7) . . . . ?
C3A C4A C5A C6A -0.6(7) . . . . ?
C4A C5A C6A C1A 1.3(7) . . . . ?
C2A C1A C6A C5A -1.6(6) . . . . ?
P1 C1A C6A C5A -178.7(3) . . . . ?
C1A P1 C1B C6B 148.7(4) . . . . ?
C1C P1 C1B C6B 45.6(5) . . . . ?
C1A P1 C1B C2B -41.9(4) . . . . ?
C1C P1 C1B C2B -145.1(4) . . . . ?
C6B C1B C2B C3B -1.9(7) . . . . ?
P1 C1B C2B C3B -171.6(4) . . . . ?
C1B C2B C3B C4B 0.4(8) . . . . ?
C2B C3B C4B C5B 0.9(8) . . . . ?
C3B C4B C5B C6B -0.8(8) . . . . ?
C2B C1B C6B C5B 2.0(8) . . . . ?
P1 C1B C6B C5B 171.5(4) . . . . ?
C4B C5B C6B C1B -0.7(8) . . . . ?
C1B P1 C1C C2C -157.0(4) . . . . ?
C1A P1 C1C C2C 97.0(4) . . . . ?
C1B P1 C1C C6C 30.3(5) . . . . ?
C1A P1 C1C C6C -75.7(5) . . . . ?
C6C C1C C2C C3C -0.1(8) . . . . ?
P1 C1C C2C C3C -172.9(4) . . . . ?
C1C C2C C3C C4C 0.6(8) . . . . ?
C2C C3C C4C C5C -1.1(9) . . . . ?
C3C C4C C5C C6C 1.0(9) . . . . ?
C4C C5C C6C C1C -0.5(9) . . . . ?
C2C C1C C6C C5C 0.0(8) . . . . ?
P1 C1C C6C C5C 172.7(4) . . . . ?
C1F P2 C1D C2D -13.4(4) . . . . ?
C1E P2 C1D C2D 93.1(4) . . . . ?
C1F P2 C1D C6D 171.3(3) . . . . ?
C1E P2 C1D C6D -82.2(4) . . . . ?
C6D C1D C2D C3D -0.4(6) . . . . ?
P2 C1D C2D C3D -175.7(3) . . . . ?
C1D C2D C3D C4D -0.7(7) . . . . ?
C2D C3D C4D C5D 0.9(7) . . . . ?
C3D C4D C5D C6D 0.1(7) . . . . ?
C4D C5D C6D C1D -1.4(7) . . . . ?
C2D C1D C6D C5D 1.5(6) . . . . ?
P2 C1D C6D C5D 177.0(3) . . . . ?
C1F P2 C1E C6E 74.9(4) . . . . ?
C1D P2 C1E C6E -32.8(4) . . . . ?
C1F P2 C1E C2E -109.6(4) . . . . ?
C1D P2 C1E C2E 142.6(4) . . . . ?
C6E C1E C2E C3E -0.3(7) . . . . ?
P2 C1E C2E C3E -175.9(3) . . . . ?
C1E C2E C3E C4E 1.3(7) . . . . ?
C2E C3E C4E C5E -1.7(7) . . . . ?
C3E C4E C5E C6E 1.3(7) . . . . ?
C4E C5E C6E C1E -0.3(7) . . . . ?
C2E C1E C6E C5E -0.2(7) . . . . ?
P2 C1E C6E C5E 175.4(4) . . . . ?
C1D P2 C1F C2F 132.0(4) . . . . ?
C1E P2 C1F C2F 28.9(5) . . . . ?
C1D P2 C1F C6F -56.6(4) . . . . ?
C1E P2 C1F C6F -159.8(4) . . . . ?
C6F C1F C2F C3F -2.2(8) . . . . ?
P2 C1F C2F C3F 169.2(4) . . . . ?
C1F C2F C3F C4F 1.9(8) . . . . ?
C2F C3F C4F C5F -0.8(9) . . . . ?
C3F C4F C5F C6F 0.0(9) . . . . ?
C4F C5F C6F C1F -0.3(8) . . . . ?
C2F C1F C6F C5F 1.4(8) . . . . ?
P2 C1F C6F C5F -170.3(4) . . . . ?
C1H P3 C1G C2G -24.9(4) . . . . ?
C1I P3 C1G C2G -134.9(4) . . . . ?
C1H P3 C1G C6G 162.8(4) . . . . ?
C1I P3 C1G C6G 52.9(4) . . . . ?
C6G C1G C2G C3G -0.2(7) . . . . ?
P3 C1G C2G C3G -172.4(4) . . . . ?
C1G C2G C3G C4G -0.2(7) . . . . ?
C2G C3G C4G C5G -0.1(8) . . . . ?
C3G C4G C5G C6G 0.8(8) . . . . ?
C4G C5G C6G C1G -1.2(7) . . . . ?
C2G C1G C6G C5G 0.9(7) . . . . ?
P3 C1G C6G C5G 173.5(4) . . . . ?
C1G P3 C1H C2H -54.1(4) . . . . ?
C1I P3 C1H C2H 55.6(4) . . . . ?
C1G P3 C1H C6H 129.3(4) . . . . ?
C1I P3 C1H C6H -120.9(4) . . . . ?
C6H C1H C2H C3H 0.2(7) . . . . ?
P3 C1H C2H C3H -176.4(4) . . . . ?
C1H C2H C3H C4H -0.4(7) . . . . ?
C2H C3H C4H C5H 0.1(8) . . . . ?
C3H C4H C5H C6H 0.3(8) . . . . ?
C2H C1H C6H C5H 0.2(8) . . . . ?
P3 C1H C6H C5H 176.9(4) . . . . ?
C4H C5H C6H C1H -0.5(8) . . . . ?
C1G P3 C1I C6I 20.4(4) . . . . ?
C1H P3 C1I C6I -90.3(4) . . . . ?
C1G P3 C1I C2I -156.8(4) . . . . ?
C1H P3 C1I C2I 92.5(4) . . . . ?
C6I C1I C2I C3I 0.0(7) . . . . ?
P3 C1I C2I C3I 177.4(4) . . . . ?
C1I C2I C3I C4I -2.1(8) . . . . ?
C2I C3I C4I C5I 1.8(8) . . . . ?
C3I C4I C5I C6I 0.6(8) . . . . ?
C4I C5I C6I C1I -2.7(8) . . . . ?
C2I C1I C6I C5I 2.3(7) . . . . ?
P3 C1I C6I C5I -174.8(4) . . . . ?

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
C2H H2H O2 0.95 2.59 3.460(5) 151.8 1_565

_refine_diff_density_max         1.40
_refine_diff_density_min         -0.95
_refine_diff_density_rms         0.175

####################################################################### 
# 
# 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_reagbua
_database_code_depnum_ccdc_archive 'CCDC 1531345'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT973_reagbua             
;
PROBLEM: Check Calcd Positive Residual Density on     Re2       2.68 eA-3
RESPONSE: In the case of rhenium which has 75 electrons the observed effect may appear.   
;
# Added during the CSD deposition process: Monday 06 February 2017 06:49 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C160 H120 Ag4 N8 O8 P8 Re4, 2(C4 H10 O)'
_chemical_formula_sum            'C168 H140 Ag4 N8 O10 P8 Re4'
_chemical_formula_weight         3854.91

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.157(3)
_cell_length_b                   18.455(5)
_cell_length_c                   18.440(5)
_cell_angle_alpha                78.16(3)
_cell_angle_beta                 75.56(3)
_cell_angle_gamma                73.82(3)
_cell_volume                     3806.6(19)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3109
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      28.84

_exptl_crystal_description       blok
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_F_000             1892
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.815
_shelx_estimated_absorpt_T_min   0.679
_shelx_estimated_absorpt_T_max   0.750
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_T_max  0.799
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20
;
_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Kuma KM-4-CCD κ-geometry'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26469
_diffrn_reflns_av_unetI/netI     0.2514
_diffrn_reflns_av_R_equivalents  0.1408
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.943
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             14034
_reflns_number_gt                6862
_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       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.20'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.20'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies,Version 1.171.36.20'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] 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         14034
_refine_ls_number_parameters     868
_refine_ls_number_restraints     441
_refine_ls_R_factor_all          0.1840
_refine_ls_R_factor_gt           0.0861
_refine_ls_wR_factor_ref         0.1770
_refine_ls_wR_factor_gt          0.1370
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_restrained_S_all      0.913
_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
Re1 Re 0.24608(6) 0.70867(4) 0.85378(4) 0.01642(18) Uani 1 1 d . . . . .
C1 C 0.2120(14) 0.6801(9) 0.9650(9) 0.021(2) Uani 1 1 d . . . . .
O1 O 0.1946(9) 0.6624(6) 1.0275(6) 0.021(2) Uani 1 1 d . . . . .
C2 C 0.1832(14) 0.8163(10) 0.8631(9) 0.022(4) Uani 1 1 d . . . . .
O2 O 0.1468(9) 0.8818(6) 0.8657(6) 0.022(3) Uani 1 1 d . . . . .
Re2 Re 0.53897(6) 0.84174(4) 0.27832(4) 0.01656(18) Uani 1 1 d . . . . .
C3 C 0.4768(15) 0.9456(10) 0.2988(10) 0.029(3) Uani 1 1 d . . . . .
O3 O 0.4398(10) 1.0075(6) 0.3130(7) 0.029(3) Uani 1 1 d . . . . .
C4 C 0.5685(13) 0.8672(9) 0.1714(9) 0.018(2) Uani 1 1 d . . . . .
O4 O 0.5886(8) 0.8805(6) 0.1031(6) 0.018(2) Uani 1 1 d . . . . .
Ag1 Ag 0.42730(12) 0.74448(8) 0.56550(8) 0.0314(4) Uani 1 1 d . . . . .
N1 N 0.3257(11) 0.7300(7) 0.6748(8) 0.021(3) Uani 1 1 d . . . . .
C10 C 0.2951(13) 0.7243(9) 0.7393(9) 0.021(3) Uani 1 1 d . . . . .
N2 N 0.5065(11) 0.7764(7) 0.4567(7) 0.021(3) Uani 1 1 d . . . . .
C20 C 0.5176(14) 0.8015(9) 0.3957(9) 0.021(3) Uani 1 1 d . . . . .
Ag4 Ag 0.35966(12) 0.43055(7) 0.79406(8) 0.0289(4) Uani 1 1 d . . . . .
N7 N 0.3382(11) 0.5306(7) 0.8322(7) 0.022(3) Uani 1 1 d . . . . .
C70 C 0.3080(14) 0.5941(9) 0.8394(9) 0.022(3) Uani 1 1 d . . . . .
N8 N 0.3754(12) 0.3342(8) 0.7478(8) 0.026(4) Uani 1 1 d . . . . .
C80 C 0.4002(13) 0.2737(10) 0.7382(9) 0.019(4) Uani 1 1 d . . . . .
P1 P 0.0562(4) 0.6973(2) 0.8447(2) 0.0140(10) Uani 1 1 d . . . . .
C1A C -0.0328(13) 0.6862(8) 0.9376(9) 0.016(3) Uani 1 1 d . U . . .
C2A C -0.0155(14) 0.6172(9) 0.9853(8) 0.018(3) Uani 1 1 d . U . . .
H2A H 0.0330 0.5730 0.9650 0.021 Uiso 1 1 calc R U . . .
C3A C -0.0668(14) 0.6108(9) 1.0617(9) 0.021(3) Uani 1 1 d . U . . .
H3A H -0.0529 0.5625 1.0925 0.026 Uiso 1 1 calc R U . . .
C4A C -0.1363(14) 0.6723(10) 1.0928(10) 0.027(3) Uani 1 1 d . U . . .
H4A H -0.1685 0.6675 1.1456 0.032 Uiso 1 1 calc R U . . .
C5A C -0.1607(15) 0.7431(10) 1.0475(10) 0.033(4) Uani 1 1 d . U . . .
H5A H -0.2132 0.7859 1.0685 0.040 Uiso 1 1 calc R U . . .
C6A C -0.1073(13) 0.7502(9) 0.9711(9) 0.023(3) Uani 1 1 d . U . . .
H6A H -0.1210 0.7987 0.9407 0.028 Uiso 1 1 calc R U . . .
C1B C -0.0326(14) 0.7766(9) 0.7889(9) 0.021(3) Uani 1 1 d . U . . .
C2B C -0.1478(14) 0.7784(9) 0.7888(9) 0.024(3) Uani 1 1 d . U . . .
H2B H -0.1832 0.7398 0.8199 0.029 Uiso 1 1 calc R U . . .
C3B C -0.2113(14) 0.8363(9) 0.7434(9) 0.023(3) Uani 1 1 d . U . . .
H3B H -0.2916 0.8397 0.7459 0.028 Uiso 1 1 calc R U . . .
C4B C -0.1559(13) 0.8883(9) 0.6949(9) 0.021(3) Uani 1 1 d . U . . .
H4B H -0.1978 0.9258 0.6615 0.026 Uiso 1 1 calc R U . . .
C5B C -0.0428(13) 0.8880(9) 0.6929(9) 0.020(3) Uani 1 1 d . U . . .
H5B H -0.0070 0.9251 0.6591 0.025 Uiso 1 1 calc R U . . .
C6B C 0.0199(14) 0.8323(8) 0.7413(9) 0.020(3) Uani 1 1 d . U . . .
H6B H 0.0978 0.8324 0.7418 0.024 Uiso 1 1 calc R U . . .
C1C C 0.0467(15) 0.6184(9) 0.8005(10) 0.029(3) Uani 1 1 d . U . . .
C2C C -0.0523(15) 0.5849(9) 0.8253(10) 0.027(3) Uani 1 1 d . U . . .
H2C H -0.1101 0.5989 0.8686 0.032 Uiso 1 1 calc R U . . .
C3C C -0.0626(15) 0.5328(9) 0.7861(10) 0.031(3) Uani 1 1 d . U . . .
H3C H -0.1313 0.5139 0.8017 0.037 Uiso 1 1 calc R U . . .
C4C C 0.0195(15) 0.5056(10) 0.7257(11) 0.035(3) Uani 1 1 d . U . . .
H4C H 0.0119 0.4665 0.7022 0.042 Uiso 1 1 calc R U . . .
C5C C 0.1147(16) 0.5391(9) 0.7009(11) 0.035(3) Uani 1 1 d . U . . .
H5C H 0.1727 0.5235 0.6582 0.042 Uiso 1 1 calc R U . . .
C6C C 0.1271(16) 0.5954(9) 0.7375(10) 0.032(3) Uani 1 1 d . U . . .
H6C H 0.1921 0.6178 0.7184 0.039 Uiso 1 1 calc R U . . .
P2 P 0.4315(4) 0.7291(2) 0.8590(2) 0.0156(10) Uani 1 1 d . . . . .
C1D C 0.5309(14) 0.6562(9) 0.9128(10) 0.022(2) Uani 1 1 d . U . . .
C2D C 0.6028(13) 0.6795(9) 0.9483(9) 0.023(2) Uani 1 1 d . U . . .
H2D H 0.5960 0.7322 0.9474 0.028 Uiso 1 1 calc R U . . .
C3D C 0.6871(13) 0.6228(9) 0.9859(9) 0.023(2) Uani 1 1 d . U . . .
H3D H 0.7346 0.6378 1.0111 0.028 Uiso 1 1 calc R U . . .
C4D C 0.6973(14) 0.5485(9) 0.9849(9) 0.024(2) Uani 1 1 d . U . . .
H4D H 0.7538 0.5111 1.0087 0.029 Uiso 1 1 calc R U . . .
C5D C 0.6267(13) 0.5255(9) 0.9496(9) 0.024(2) Uani 1 1 d . U . . .
H5D H 0.6352 0.4731 0.9483 0.029 Uiso 1 1 calc R U . . .
C6D C 0.5429(13) 0.5818(8) 0.9162(9) 0.024(2) Uani 1 1 d . U . . .
H6D H 0.4917 0.5659 0.8947 0.028 Uiso 1 1 calc R U . . .
C1E C 0.5289(14) 0.7466(9) 0.7669(9) 0.023(2) Uani 1 1 d . U . . .
C2E C 0.6285(14) 0.6927(9) 0.7433(10) 0.025(2) Uani 1 1 d . U . . .
H2E H 0.6485 0.6461 0.7758 0.031 Uiso 1 1 calc R U . . .
C3E C 0.7001(15) 0.7049(10) 0.6733(10) 0.029(2) Uani 1 1 d . U . . .
H3E H 0.7741 0.6706 0.6606 0.035 Uiso 1 1 calc R U . . .
C4E C 0.6640(14) 0.7666(9) 0.6225(10) 0.029(3) Uani 1 1 d . U . . .
H4E H 0.7086 0.7713 0.5723 0.035 Uiso 1 1 calc R U . . .
C5E C 0.5626(14) 0.8231(10) 0.6426(10) 0.026(2) Uani 1 1 d . U . . .
H5E H 0.5410 0.8678 0.6081 0.032 Uiso 1 1 calc R U . . .
C6E C 0.4943(14) 0.8117(9) 0.7153(9) 0.022(2) Uani 1 1 d . U . . .
H6E H 0.4237 0.8483 0.7299 0.027 Uiso 1 1 calc R U . . .
C1F C 0.4176(13) 0.8128(8) 0.9060(9) 0.018(3) Uani 1 1 d . U . . .
C2F C 0.3453(13) 0.8183(8) 0.9746(9) 0.021(3) Uani 1 1 d . U . . .
H2F H 0.3042 0.7795 0.9963 0.025 Uiso 1 1 calc R U . . .
C3F C 0.3286(14) 0.8768(9) 1.0145(10) 0.024(3) Uani 1 1 d . U . . .
H3F H 0.2766 0.8792 1.0624 0.028 Uiso 1 1 calc R U . . .
C4F C 0.3881(14) 0.9307(9) 0.9836(10) 0.025(3) Uani 1 1 d . U . . .
H4F H 0.3797 0.9710 1.0109 0.031 Uiso 1 1 calc R U . . .
C5F C 0.4603(14) 0.9290(9) 0.9141(10) 0.025(3) Uani 1 1 d . U . . .
H5F H 0.4995 0.9687 0.8925 0.031 Uiso 1 1 calc R U . . .
C6F C 0.4761(13) 0.8684(8) 0.8748(10) 0.021(3) Uani 1 1 d . U . . .
H6F H 0.5274 0.8660 0.8267 0.026 Uiso 1 1 calc R U . . .
P3 P 0.7285(4) 0.8505(2) 0.2910(2) 0.0161(10) Uani 1 1 d . . . . .
C1G C 0.8161(14) 0.7720(9) 0.3486(10) 0.022(3) Uani 1 1 d . U . . .
C2G C 0.9005(13) 0.7853(9) 0.3815(10) 0.025(3) Uani 1 1 d . U . . .
H2G H 0.9150 0.8347 0.3725 0.030 Uiso 1 1 calc R U . . .
C3G C 0.9607(15) 0.7285(10) 0.4257(10) 0.033(4) Uani 1 1 d . U . . .
H3G H 1.0185 0.7385 0.4462 0.040 Uiso 1 1 calc R U . . .
C4G C 0.9416(16) 0.6581(10) 0.4417(11) 0.035(4) Uani 1 1 d . U . . .
H4G H 0.9860 0.6188 0.4722 0.042 Uiso 1 1 calc R U . . .
C5G C 0.8586(15) 0.6442(10) 0.4137(10) 0.036(4) Uani 1 1 d . U . . .
H5G H 0.8450 0.5944 0.4257 0.044 Uiso 1 1 calc R U . . .
C6G C 0.7899(15) 0.7006(9) 0.3668(10) 0.028(3) Uani 1 1 d . U . . .
H6G H 0.7298 0.6902 0.3490 0.033 Uiso 1 1 calc R U . . .
C1H C 0.8325(14) 0.8632(9) 0.2018(9) 0.021(3) Uani 1 1 d . U . . .
C2H C 0.8059(14) 0.9238(9) 0.1472(9) 0.024(3) Uani 1 1 d . U . . .
H2H H 0.7338 0.9607 0.1572 0.028 Uiso 1 1 calc R U . . .
C3H C 0.8808(14) 0.9331(9) 0.0778(10) 0.027(3) Uani 1 1 d . U . . .
H3H H 0.8599 0.9748 0.0400 0.032 Uiso 1 1 calc R U . . .
C4H C 0.9884(15) 0.8795(9) 0.0644(10) 0.030(3) Uani 1 1 d . U . . .
H4H H 1.0404 0.8846 0.0168 0.036 Uiso 1 1 calc R U . . .
C5H C 1.0190(15) 0.8206(9) 0.1183(9) 0.025(3) Uani 1 1 d . U . . .
H5H H 1.0920 0.7846 0.1086 0.030 Uiso 1 1 calc R U . . .
C6H C 0.9449(13) 0.8130(9) 0.1868(9) 0.020(3) Uani 1 1 d . U . . .
H6H H 0.9690 0.7732 0.2254 0.024 Uiso 1 1 calc R U . . .
C1I C 0.7175(15) 0.9308(9) 0.3382(10) 0.026(3) Uani 1 1 d . U . . .
C2I C 0.6693(14) 0.9266(9) 0.4162(9) 0.024(3) Uani 1 1 d . U . . .
H2I H 0.6437 0.8819 0.4409 0.029 Uiso 1 1 calc R U . . .
C3I C 0.6565(14) 0.9814(9) 0.4592(10) 0.026(3) Uani 1 1 d . U . . .
H3I H 0.6205 0.9760 0.5114 0.031 Uiso 1 1 calc R U . . .
C4I C 0.6984(14) 1.0455(9) 0.4236(9) 0.025(3) Uani 1 1 d . U . . .
H4I H 0.6913 1.0851 0.4515 0.031 Uiso 1 1 calc R U . . .
C5I C 0.7486(14) 1.0509(9) 0.3500(10) 0.026(3) Uani 1 1 d . U . . .
H5I H 0.7777 1.0947 0.3271 0.031 Uiso 1 1 calc R U . . .
C6I C 0.7606(15) 0.9954(9) 0.3048(10) 0.028(3) Uani 1 1 d . U . . .
H6I H 0.7972 1.0015 0.2527 0.033 Uiso 1 1 calc R U . . .
P4 P 0.3438(4) 0.8322(2) 0.2798(2) 0.0163(10) Uani 1 1 d . . . . .
C1J C 0.2522(14) 0.9127(8) 0.2295(9) 0.021(3) Uani 1 1 d . U . . .
C2J C 0.1401(14) 0.9128(8) 0.2270(9) 0.021(3) Uani 1 1 d . U . . .
H2J H 0.1073 0.8722 0.2559 0.026 Uiso 1 1 calc R U . . .
C3J C 0.0730(14) 0.9709(8) 0.1832(9) 0.020(3) Uani 1 1 d . U . . .
H3J H -0.0049 0.9703 0.1833 0.025 Uiso 1 1 calc R U . . .
C4J C 0.1215(14) 1.0294(9) 0.1397(9) 0.022(3) Uani 1 1 d . U . . .
H4J H 0.0775 1.0684 0.1085 0.027 Uiso 1 1 calc R U . . .
C5J C 0.2351(14) 1.0312(9) 0.1415(9) 0.021(3) Uani 1 1 d . U . . .
H5J H 0.2693 1.0710 0.1120 0.025 Uiso 1 1 calc R U . . .
C6J C 0.2958(15) 0.9736(8) 0.1875(9) 0.022(3) Uani 1 1 d . U . . .
H6J H 0.3717 0.9758 0.1905 0.027 Uiso 1 1 calc R U . . .
C1K C 0.3257(15) 0.7534(8) 0.2389(9) 0.022(3) Uani 1 1 d . U . . .
C2K C 0.3982(15) 0.7335(9) 0.1747(9) 0.023(3) Uani 1 1 d . U . . .
H2K H 0.4572 0.7601 0.1502 0.027 Uiso 1 1 calc R U . . .
C3K C 0.2350(15) 0.7175(8) 0.2748(9) 0.025(3) Uani 1 1 d . U . . .
H3K H 0.1831 0.7329 0.3199 0.030 Uiso 1 1 calc R U . . .
C4K C 0.2975(15) 0.6354(9) 0.1771(9) 0.029(3) Uani 1 1 d . U . . .
H4K H 0.2880 0.5954 0.1557 0.035 Uiso 1 1 calc R U . . .
C5K C 0.3866(15) 0.6718(9) 0.1430(9) 0.025(3) Uani 1 1 d . U . . .
H5K H 0.4401 0.6559 0.0987 0.030 Uiso 1 1 calc R U . . .
C6K C 0.2226(15) 0.6580(9) 0.2425(9) 0.028(3) Uani 1 1 d . U . . .
H6K H 0.1615 0.6329 0.2662 0.033 Uiso 1 1 calc R U . . .
C1L C 0.2537(14) 0.8218(9) 0.3761(9) 0.022(3) Uani 1 1 d . U . . .
C2L C 0.2766(15) 0.7521(9) 0.4236(9) 0.025(3) Uani 1 1 d . U . . .
H2L H 0.3349 0.7100 0.4052 0.029 Uiso 1 1 calc R U . . .
C3L C 0.2148(15) 0.7447(10) 0.4964(10) 0.031(3) Uani 1 1 d . U . . .
H3L H 0.2283 0.6966 0.5276 0.037 Uiso 1 1 calc R U . . .
C4L C 0.1341(16) 0.8053(10) 0.5252(10) 0.034(3) Uani 1 1 d . U . . .
H4L H 0.0932 0.7992 0.5764 0.041 Uiso 1 1 calc R U . . .
C5L C 0.1113(16) 0.8762(10) 0.4799(10) 0.032(3) Uani 1 1 d . U . . .
H5L H 0.0570 0.9188 0.5003 0.038 Uiso 1 1 calc R U . . .
C6L C 0.1685(15) 0.8835(9) 0.4054(9) 0.027(3) Uani 1 1 d . U . . .
H6L H 0.1504 0.9307 0.3734 0.033 Uiso 1 1 calc R U . . .
O11 O 0.427(3) 0.4450(15) 0.5978(17) 0.064(9) Uiso 0.5 1 d D . P A 1
H11 H 0.4486 0.4370 0.5525 0.097 Uiso 0.5 1 calc R U P A 1
C13 C 0.445(3) 0.5167(17) 0.603(3) 0.050(8) Uiso 0.5 1 d D . P A 1
H13A H 0.3957 0.5380 0.6485 0.061 Uiso 0.5 1 calc R U P A 1
H13B H 0.4335 0.5544 0.5570 0.061 Uiso 0.5 1 calc R U P A 1
C14 C 0.573(3) 0.487(2) 0.608(3) 0.072(15) Uiso 0.5 1 d D . P A 1
H14A H 0.6152 0.4669 0.5605 0.086 Uiso 0.5 1 calc R U P A 1
H14B H 0.5778 0.4437 0.6493 0.086 Uiso 0.5 1 calc R U P A 1
C15 C 0.642(3) 0.539(3) 0.621(4) 0.15(3) Uiso 0.5 1 d D . P A 1
H15A H 0.6219 0.5898 0.5898 0.181 Uiso 0.5 1 calc R U P A 1
H15B H 0.6195 0.5470 0.6749 0.181 Uiso 0.5 1 calc R U P A 1
C16 C 0.772(3) 0.505(2) 0.601(3) 0.070(10) Uiso 0.5 1 d D . P A 1
H16A H 0.8149 0.5394 0.6096 0.105 Uiso 0.5 1 calc R U P A 1
H16B H 0.7921 0.4556 0.6322 0.105 Uiso 0.5 1 calc R U P A 1
H16C H 0.7945 0.4983 0.5473 0.105 Uiso 0.5 1 calc R U P A 1
O12 O 0.458(3) 0.5959(17) 0.5454(18) 0.078(10) Uiso 0.5 1 d D . P B 2
H12 H 0.3884 0.6213 0.5518 0.117 Uiso 0.5 1 calc R U P B 2
C131 C 0.472(4) 0.536(2) 0.607(2) 0.050(8) Uiso 0.5 1 d D . P B 2
H13C H 0.4890 0.4864 0.5873 0.061 Uiso 0.5 1 calc R U P B 2
H13D H 0.3968 0.5403 0.6440 0.061 Uiso 0.5 1 calc R U P B 2
C141 C 0.568(3) 0.534(3) 0.646(2) 0.071(15) Uiso 0.5 1 d D . P B 2
H14C H 0.5465 0.5759 0.6770 0.085 Uiso 0.5 1 calc R U P B 2
H14D H 0.5929 0.4845 0.6771 0.085 Uiso 0.5 1 calc R U P B 2
C151 C 0.660(3) 0.547(2) 0.575(2) 0.100 Uiso 0.5 1 d D U P B 2
H15C H 0.6208 0.5811 0.5345 0.120 Uiso 0.5 1 calc R U P B 2
H15D H 0.7142 0.5731 0.5853 0.120 Uiso 0.5 1 calc R U P B 2
C161 C 0.727(4) 0.472(2) 0.548(3) 0.070(10) Uiso 0.5 1 d D . P B 2
H16E H 0.7854 0.4808 0.5024 0.105 Uiso 0.5 1 calc R U P B 2
H16F H 0.7656 0.4391 0.5880 0.105 Uiso 0.5 1 calc R U P B 2
H16G H 0.6724 0.4471 0.5373 0.105 Uiso 0.5 1 calc R U P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Re1 C2 1.946(17) . ?
Re1 C1 1.977(17) . ?
Re1 C10 2.028(17) . ?
Re1 C70 2.085(15) . ?
Re1 P2 2.415(4) . ?
Re1 P1 2.424(4) . ?
C1 O1 1.115(17) . ?
C2 O2 1.172(16) . ?
Re2 C4 1.897(17) . ?
Re2 C3 1.932(17) . ?
Re2 C80 2.111(18) 2_666 ?
Re2 C20 2.115(16) . ?
Re2 P4 2.421(4) . ?
Re2 P3 2.425(4) . ?
C3 O3 1.164(17) . ?
C4 O4 1.208(17) . ?
Ag1 N2 2.041(13) . ?
Ag1 N1 2.093(13) . ?
N1 C10 1.147(18) . ?
N2 C20 1.115(18) . ?
Ag4 N7 2.036(13) . ?
Ag4 N8 2.069(14) . ?
N7 C70 1.153(17) . ?
N8 C80 1.111(18) . ?
C80 Re2 2.111(18) 2_666 ?
P1 C1A 1.789(16) . ?
P1 C1B 1.850(16) . ?
P1 C1C 1.852(17) . ?
C1A C2A 1.386(19) . ?
C1A C6A 1.42(2) . ?
C2A C3A 1.39(2) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.35(2) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.40(2) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.39(2) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C2B 1.39(2) . ?
C1B C6B 1.40(2) . ?
C2B C3B 1.39(2) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.37(2) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.37(2) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.40(2) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C6C 1.37(2) . ?
C1C C2C 1.44(2) . ?
C2C C3C 1.36(2) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.37(2) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.40(2) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.41(2) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1E 1.838(17) . ?
P2 C1D 1.842(15) . ?
P2 C1F 1.869(16) . ?
C1D C6D 1.33(2) . ?
C1D C2D 1.41(2) . ?
C2D C3D 1.444(19) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.35(2) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.39(2) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.399(19) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C2E 1.38(2) . ?
C1E C6E 1.40(2) . ?
C2E C3E 1.38(2) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.36(2) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.40(2) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.40(2) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.35(2) . ?
C1F C6F 1.360(19) . ?
C2F C3F 1.37(2) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.34(2) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.36(2) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.40(2) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
P3 C1I 1.825(17) . ?
P3 C1H 1.825(17) . ?
P3 C1G 1.853(16) . ?
C1G C6G 1.40(2) . ?
C1G C2G 1.41(2) . ?
C2G C3G 1.35(2) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.34(2) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.35(2) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.43(2) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.37(2) . ?
C1H C6H 1.42(2) . ?
C2H C3H 1.38(2) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.40(2) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.35(2) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.36(2) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C6I 1.40(2) . ?
C1I C2I 1.41(2) . ?
C2I C3I 1.36(2) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.39(2) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.34(2) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.41(2) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
P4 C1J 1.826(15) . ?
P4 C1L 1.843(17) . ?
P4 C1K 1.856(17) . ?
C1J C2J 1.37(2) . ?
C1J C6J 1.38(2) . ?
C2J C3J 1.40(2) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.39(2) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.40(2) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.38(2) . ?
C5J H5J 0.9500 . ?
C6J H6J 0.9500 . ?
C1K C2K 1.34(2) . ?
C1K C3K 1.40(2) . ?
C2K C5K 1.44(2) . ?
C2K H2K 0.9500 . ?
C3K C6K 1.41(2) . ?
C3K H3K 0.9500 . ?
C4K C6K 1.38(2) . ?
C4K C5K 1.38(2) . ?
C4K H4K 0.9500 . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1L C2L 1.40(2) . ?
C1L C6L 1.41(2) . ?
C2L C3L 1.37(2) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.37(2) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.40(2) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.37(2) . ?
C5L H5L 0.9500 . ?
C6L H6L 0.9500 . ?
O11 C13 1.422(10) . ?
O11 H11 0.8400 . ?
C13 C14 1.517(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.522(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.518(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
O12 C131 1.418(10) . ?
O12 H12 0.8400 . ?
C131 C141 1.520(10) . ?
C131 H13C 0.9900 . ?
C131 H13D 0.9900 . ?
C141 C151 1.519(10) . ?
C141 H14C 0.9900 . ?
C141 H14D 0.9900 . ?
C151 C161 1.515(10) . ?
C151 H15C 0.9900 . ?
C151 H15D 0.9900 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C161 H16G 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Re1 C1 91.3(6) . . ?
C2 Re1 C10 95.8(6) . . ?
C1 Re1 C10 172.6(6) . . ?
C2 Re1 C70 176.9(7) . . ?
C1 Re1 C70 90.7(6) . . ?
C10 Re1 C70 82.3(6) . . ?
C2 Re1 P2 85.8(5) . . ?
C1 Re1 P2 90.2(5) . . ?
C10 Re1 P2 88.1(5) . . ?
C70 Re1 P2 96.5(5) . . ?
C2 Re1 P1 90.7(5) . . ?
C1 Re1 P1 91.7(5) . . ?
C10 Re1 P1 90.4(5) . . ?
C70 Re1 P1 87.0(5) . . ?
P2 Re1 P1 176.06(14) . . ?
O1 C1 Re1 178.5(15) . . ?
O2 C2 Re1 177.4(13) . . ?
C4 Re2 C3 95.6(7) . . ?
C4 Re2 C80 87.3(6) . 2_666 ?
C3 Re2 C80 176.6(7) . 2_666 ?
C4 Re2 C20 173.8(6) . . ?
C3 Re2 C20 90.4(7) . . ?
C80 Re2 C20 86.8(6) 2_666 . ?
C4 Re2 P4 90.9(5) . . ?
C3 Re2 P4 89.9(5) . . ?
C80 Re2 P4 88.1(4) 2_666 . ?
C20 Re2 P4 90.6(5) . . ?
C4 Re2 P3 94.9(5) . . ?
C3 Re2 P3 88.4(5) . . ?
C80 Re2 P3 93.3(4) 2_666 . ?
C20 Re2 P3 83.7(5) . . ?
P4 Re2 P3 174.06(15) . . ?
O3 C3 Re2 178.3(16) . . ?
O4 C4 Re2 177.5(13) . . ?
N2 Ag1 N1 170.1(5) . . ?
C10 N1 Ag1 162.4(13) . . ?
N1 C10 Re1 177.0(15) . . ?
C20 N2 Ag1 160.2(14) . . ?
N2 C20 Re2 176.1(15) . . ?
N7 Ag4 N8 175.3(6) . . ?
C70 N7 Ag4 161.7(13) . . ?
N7 C70 Re1 177.6(14) . . ?
C80 N8 Ag4 161.0(14) . . ?
N8 C80 Re2 175.2(15) . 2_666 ?
C1A P1 C1B 105.8(7) . . ?
C1A P1 C1C 104.6(8) . . ?
C1B P1 C1C 97.8(8) . . ?
C1A P1 Re1 109.4(5) . . ?
C1B P1 Re1 118.1(6) . . ?
C1C P1 Re1 119.5(6) . . ?
C2A C1A C6A 116.4(15) . . ?
C2A C1A P1 121.0(12) . . ?
C6A C1A P1 121.5(12) . . ?
C3A C2A C1A 122.1(15) . . ?
C3A C2A H2A 119.0 . . ?
C1A C2A H2A 119.0 . . ?
C4A C3A C2A 120.9(16) . . ?
C4A C3A H3A 119.6 . . ?
C2A C3A H3A 119.6 . . ?
C3A C4A C5A 120.0(17) . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C6A C5A C4A 119.2(17) . . ?
C6A C5A H5A 120.4 . . ?
C4A C5A H5A 120.4 . . ?
C5A C6A C1A 121.4(15) . . ?
C5A C6A H6A 119.3 . . ?
C1A C6A H6A 119.3 . . ?
C2B C1B C6B 119.4(15) . . ?
C2B C1B P1 121.2(13) . . ?
C6B C1B P1 119.2(12) . . ?
C3B C2B C1B 120.5(16) . . ?
C3B C2B H2B 119.8 . . ?
C1B C2B H2B 119.8 . . ?
C4B C3B C2B 118.8(16) . . ?
C4B C3B H3B 120.6 . . ?
C2B C3B H3B 120.6 . . ?
C5B C4B C3B 122.3(16) . . ?
C5B C4B H4B 118.8 . . ?
C3B C4B H4B 118.8 . . ?
C4B C5B C6B 119.2(16) . . ?
C4B C5B H5B 120.4 . . ?
C6B C5B H5B 120.4 . . ?
C1B C6B C5B 119.7(16) . . ?
C1B C6B H6B 120.1 . . ?
C5B C6B H6B 120.1 . . ?
C6C C1C C2C 117.2(15) . . ?
C6C C1C P1 121.3(13) . . ?
C2C C1C P1 121.1(12) . . ?
C3C C2C C1C 119.5(16) . . ?
C3C C2C H2C 120.3 . . ?
C1C C2C H2C 120.3 . . ?
C2C C3C C4C 124.5(17) . . ?
C2C C3C H3C 117.7 . . ?
C4C C3C H3C 117.7 . . ?
C3C C4C C5C 115.9(16) . . ?
C3C C4C H4C 122.1 . . ?
C5C C4C H4C 122.1 . . ?
C4C C5C C6C 121.7(17) . . ?
C4C C5C H5C 119.1 . . ?
C6C C5C H5C 119.1 . . ?
C1C C6C C5C 121.0(17) . . ?
C1C C6C H6C 119.5 . . ?
C5C C6C H6C 119.5 . . ?
C1E P2 C1D 102.1(8) . . ?
C1E P2 C1F 104.0(7) . . ?
C1D P2 C1F 99.2(7) . . ?
C1E P2 Re1 115.3(5) . . ?
C1D P2 Re1 120.1(6) . . ?
C1F P2 Re1 113.7(5) . . ?
C6D C1D C2D 118.0(14) . . ?
C6D C1D P2 122.8(13) . . ?
C2D C1D P2 119.1(12) . . ?
C1D C2D C3D 119.6(15) . . ?
C1D C2D H2D 120.2 . . ?
C3D C2D H2D 120.2 . . ?
C4D C3D C2D 119.2(16) . . ?
C4D C3D H3D 120.4 . . ?
C2D C3D H3D 120.4 . . ?
C3D C4D C5D 121.2(15) . . ?
C3D C4D H4D 119.4 . . ?
C5D C4D H4D 119.4 . . ?
C4D C5D C6D 118.3(15) . . ?
C4D C5D H5D 120.9 . . ?
C6D C5D H5D 120.9 . . ?
C1D C6D C5D 123.7(16) . . ?
C1D C6D H6D 118.2 . . ?
C5D C6D H6D 118.2 . . ?
C2E C1E C6E 118.6(16) . . ?
C2E C1E P2 121.1(13) . . ?
C6E C1E P2 119.8(13) . . ?
C1E C2E C3E 121.3(16) . . ?
C1E C2E H2E 119.4 . . ?
C3E C2E H2E 119.4 . . ?
C4E C3E C2E 119.5(17) . . ?
C4E C3E H3E 120.3 . . ?
C2E C3E H3E 120.3 . . ?
C3E C4E C5E 121.5(17) . . ?
C3E C4E H4E 119.2 . . ?
C5E C4E H4E 119.2 . . ?
C6E C5E C4E 117.8(16) . . ?
C6E C5E H5E 121.1 . . ?
C4E C5E H5E 121.1 . . ?
C5E C6E C1E 120.8(16) . . ?
C5E C6E H6E 119.6 . . ?
C1E C6E H6E 119.6 . . ?
C2F C1F C6F 118.4(15) . . ?
C2F C1F P2 118.1(12) . . ?
C6F C1F P2 123.5(13) . . ?
C1F C2F C3F 123.3(15) . . ?
C1F C2F H2F 118.3 . . ?
C3F C2F H2F 118.3 . . ?
C4F C3F C2F 117.7(16) . . ?
C4F C3F H3F 121.2 . . ?
C2F C3F H3F 121.2 . . ?
C3F C4F C5F 121.6(17) . . ?
C3F C4F H4F 119.2 . . ?
C5F C4F H4F 119.2 . . ?
C4F C5F C6F 119.4(16) . . ?
C4F C5F H5F 120.3 . . ?
C6F C5F H5F 120.3 . . ?
C1F C6F C5F 119.5(16) . . ?
C1F C6F H6F 120.3 . . ?
C5F C6F H6F 120.3 . . ?
C1I P3 C1H 105.1(8) . . ?
C1I P3 C1G 100.4(8) . . ?
C1H P3 C1G 102.7(7) . . ?
C1I P3 Re2 112.2(6) . . ?
C1H P3 Re2 114.9(6) . . ?
C1G P3 Re2 119.7(5) . . ?
C6G C1G C2G 118.9(15) . . ?
C6G C1G P3 119.7(13) . . ?
C2G C1G P3 121.0(12) . . ?
C3G C2G C1G 120.5(16) . . ?
C3G C2G H2G 119.7 . . ?
C1G C2G H2G 119.7 . . ?
C4G C3G C2G 122.1(18) . . ?
C4G C3G H3G 119.0 . . ?
C2G C3G H3G 119.0 . . ?
C3G C4G C5G 119.0(18) . . ?
C3G C4G H4G 120.5 . . ?
C5G C4G H4G 120.5 . . ?
C4G C5G C6G 123.1(18) . . ?
C4G C5G H5G 118.4 . . ?
C6G C5G H5G 118.4 . . ?
C1G C6G C5G 116.2(17) . . ?
C1G C6G H6G 121.9 . . ?
C5G C6G H6G 121.9 . . ?
C2H C1H C6H 117.1(16) . . ?
C2H C1H P3 120.6(13) . . ?
C6H C1H P3 122.2(12) . . ?
C1H C2H C3H 121.9(16) . . ?
C1H C2H H2H 119.1 . . ?
C3H C2H H2H 119.1 . . ?
C2H C3H C4H 118.6(16) . . ?
C2H C3H H3H 120.7 . . ?
C4H C3H H3H 120.7 . . ?
C5H C4H C3H 120.9(17) . . ?
C5H C4H H4H 119.6 . . ?
C3H C4H H4H 119.6 . . ?
C4H C5H C6H 119.8(17) . . ?
C4H C5H H5H 120.1 . . ?
C6H C5H H5H 120.1 . . ?
C5H C6H C1H 121.6(16) . . ?
C5H C6H H6H 119.2 . . ?
C1H C6H H6H 119.2 . . ?
C6I C1I C2I 115.6(15) . . ?
C6I C1I P3 125.7(13) . . ?
C2I C1I P3 118.5(12) . . ?
C3I C2I C1I 125.3(16) . . ?
C3I C2I H2I 117.4 . . ?
C1I C2I H2I 117.4 . . ?
C2I C3I C4I 117.4(17) . . ?
C2I C3I H3I 121.3 . . ?
C4I C3I H3I 121.3 . . ?
C5I C4I C3I 119.6(16) . . ?
C5I C4I H4I 120.2 . . ?
C3I C4I H4I 120.2 . . ?
C4I C5I C6I 123.6(16) . . ?
C4I C5I H5I 118.2 . . ?
C6I C5I H5I 118.2 . . ?
C1I C6I C5I 118.5(16) . . ?
C1I C6I H6I 120.8 . . ?
C5I C6I H6I 120.8 . . ?
C1J P4 C1L 103.2(7) . . ?
C1J P4 C1K 99.3(8) . . ?
C1L P4 C1K 102.7(7) . . ?
C1J P4 Re2 117.1(6) . . ?
C1L P4 Re2 112.9(5) . . ?
C1K P4 Re2 119.2(6) . . ?
C2J C1J C6J 117.0(15) . . ?
C2J C1J P4 121.5(12) . . ?
C6J C1J P4 121.2(13) . . ?
C1J C2J C3J 122.0(15) . . ?
C1J C2J H2J 119.0 . . ?
C3J C2J H2J 119.0 . . ?
C4J C3J C2J 119.2(16) . . ?
C4J C3J H3J 120.4 . . ?
C2J C3J H3J 120.4 . . ?
C3J C4J C5J 120.1(15) . . ?
C3J C4J H4J 119.9 . . ?
C5J C4J H4J 119.9 . . ?
C6J C5J C4J 118.1(16) . . ?
C6J C5J H5J 121.0 . . ?
C4J C5J H5J 121.0 . . ?
C5J C6J C1J 123.5(17) . . ?
C5J C6J H6J 118.3 . . ?
C1J C6J H6J 118.3 . . ?
C2K C1K C3K 121.7(16) . . ?
C2K C1K P4 119.1(13) . . ?
C3K C1K P4 119.2(12) . . ?
C1K C2K C5K 119.8(16) . . ?
C1K C2K H2K 120.1 . . ?
C5K C2K H2K 120.1 . . ?
C1K C3K C6K 118.2(15) . . ?
C1K C3K H3K 120.9 . . ?
C6K C3K H3K 120.9 . . ?
C6K C4K C5K 119.1(15) . . ?
C6K C4K H4K 120.4 . . ?
C5K C4K H4K 120.4 . . ?
C4K C5K C2K 119.9(15) . . ?
C4K C5K H5K 120.1 . . ?
C2K C5K H5K 120.1 . . ?
C4K C6K C3K 121.3(16) . . ?
C4K C6K H6K 119.4 . . ?
C3K C6K H6K 119.4 . . ?
C2L C1L C6L 118.7(16) . . ?
C2L C1L P4 119.2(13) . . ?
C6L C1L P4 121.9(12) . . ?
C3L C2L C1L 119.8(17) . . ?
C3L C2L H2L 120.1 . . ?
C1L C2L H2L 120.1 . . ?
C2L C3L C4L 121.2(17) . . ?
C2L C3L H3L 119.4 . . ?
C4L C3L H3L 119.4 . . ?
C3L C4L C5L 120.4(18) . . ?
C3L C4L H4L 119.8 . . ?
C5L C4L H4L 119.8 . . ?
C6L C5L C4L 119.0(17) . . ?
C6L C5L H5L 120.5 . . ?
C4L C5L H5L 120.5 . . ?
C5L C6L C1L 120.7(16) . . ?
C5L C6L H6L 119.6 . . ?
C1L C6L H6L 119.6 . . ?
C13 O11 H11 109.5 . . ?
O11 C13 C14 96(3) . . ?
O11 C13 H13A 112.5 . . ?
C14 C13 H13A 112.5 . . ?
O11 C13 H13B 112.5 . . ?
C14 C13 H13B 112.5 . . ?
H13A C13 H13B 110.1 . . ?
C13 C14 C15 121(3) . . ?
C13 C14 H14A 107.0 . . ?
C15 C14 H14A 107.0 . . ?
C13 C14 H14B 107.0 . . ?
C15 C14 H14B 107.0 . . ?
H14A C14 H14B 106.7 . . ?
C16 C15 C14 111(4) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C131 O12 H12 109.5 . . ?
O12 C131 C141 114(4) . . ?
O12 C131 H13C 108.9 . . ?
C141 C131 H13C 108.9 . . ?
O12 C131 H13D 108.9 . . ?
C141 C131 H13D 108.9 . . ?
H13C C131 H13D 107.7 . . ?
C151 C141 C131 97(3) . . ?
C151 C141 H14C 112.4 . . ?
C131 C141 H14C 112.4 . . ?
C151 C141 H14D 112.4 . . ?
C131 C141 H14D 112.4 . . ?
H14C C141 H14D 109.9 . . ?
C161 C151 C141 110(4) . . ?
C161 C151 H15C 109.7 . . ?
C141 C151 H15C 109.7 . . ?
C161 C151 H15D 109.7 . . ?
C141 C151 H15D 109.7 . . ?
H15C C151 H15D 108.2 . . ?
C151 C161 H16E 109.5 . . ?
C151 C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
C151 C161 H16G 109.5 . . ?
H16E C161 H16G 109.5 . . ?
H16F C161 H16G 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1B P1 C1A C2A 155.5(13) . . . . ?
C1C P1 C1A C2A 52.9(15) . . . . ?
C1B P1 C1A C6A -37.1(15) . . . . ?
C1C P1 C1A C6A -139.7(13) . . . . ?
C6A C1A C2A C3A -1(2) . . . . ?
P1 C1A C2A C3A 167.3(12) . . . . ?
C1A C2A C3A C4A 0(2) . . . . ?
C2A C3A C4A C5A 2(2) . . . . ?
C3A C4A C5A C6A -4(3) . . . . ?
C4A C5A C6A C1A 3(3) . . . . ?
C2A C1A C6A C5A -1(2) . . . . ?
P1 C1A C6A C5A -168.7(13) . . . . ?
C1A P1 C1B C2B -49.2(15) . . . . ?
C1C P1 C1B C2B 58.4(14) . . . . ?
C1A P1 C1B C6B 136.0(13) . . . . ?
C1C P1 C1B C6B -116.3(14) . . . . ?
C6B C1B C2B C3B -2(2) . . . . ?
P1 C1B C2B C3B -176.6(12) . . . . ?
C1B C2B C3B C4B 5(2) . . . . ?
C2B C3B C4B C5B -4(2) . . . . ?
C3B C4B C5B C6B 1(2) . . . . ?
C2B C1B C6B C5B -2(2) . . . . ?
P1 C1B C6B C5B 173.3(12) . . . . ?
C4B C5B C6B C1B 2(2) . . . . ?
C1A P1 C1C C6C -162.0(15) . . . . ?
C1B P1 C1C C6C 89.3(16) . . . . ?
C1A P1 C1C C2C 25.1(16) . . . . ?
C1B P1 C1C C2C -83.5(15) . . . . ?
C6C C1C C2C C3C 0(3) . . . . ?
P1 C1C C2C C3C 172.9(14) . . . . ?
C1C C2C C3C C4C 4(3) . . . . ?
C2C C3C C4C C5C -5(3) . . . . ?
C3C C4C C5C C6C 2(3) . . . . ?
C2C C1C C6C C5C -2(3) . . . . ?
P1 C1C C6C C5C -175.4(14) . . . . ?
C4C C5C C6C C1C 1(3) . . . . ?
C1E P2 C1D C6D -92.9(16) . . . . ?
C1F P2 C1D C6D 160.6(15) . . . . ?
C1E P2 C1D C2D 83.2(15) . . . . ?
C1F P2 C1D C2D -23.4(15) . . . . ?
C6D C1D C2D C3D 1(2) . . . . ?
P2 C1D C2D C3D -175.6(12) . . . . ?
C1D C2D C3D C4D 2(2) . . . . ?
C2D C3D C4D C5D -1(3) . . . . ?
C3D C4D C5D C6D -1(3) . . . . ?
C2D C1D C6D C5D -3(3) . . . . ?
P2 C1D C6D C5D 172.8(13) . . . . ?
C4D C5D C6D C1D 4(3) . . . . ?
C1D P2 C1E C2E 23.5(16) . . . . ?
C1F P2 C1E C2E 126.3(14) . . . . ?
C1D P2 C1E C6E -164.7(13) . . . . ?
C1F P2 C1E C6E -61.9(15) . . . . ?
C6E C1E C2E C3E 6(3) . . . . ?
P2 C1E C2E C3E 178.3(13) . . . . ?
C1E C2E C3E C4E -9(3) . . . . ?
C2E C3E C4E C5E 8(3) . . . . ?
C3E C4E C5E C6E -5(3) . . . . ?
C4E C5E C6E C1E 2(2) . . . . ?
C2E C1E C6E C5E -3(2) . . . . ?
P2 C1E C6E C5E -175.0(12) . . . . ?
C1E P2 C1F C2F 176.8(13) . . . . ?
C1D P2 C1F C2F -78.2(14) . . . . ?
C1E P2 C1F C6F -3.2(15) . . . . ?
C1D P2 C1F C6F 101.8(14) . . . . ?
C6F C1F C2F C3F 0(2) . . . . ?
P2 C1F C2F C3F 179.7(13) . . . . ?
C1F C2F C3F C4F -1(2) . . . . ?
C2F C3F C4F C5F 2(2) . . . . ?
C3F C4F C5F C6F -2(3) . . . . ?
C2F C1F C6F C5F 0(2) . . . . ?
P2 C1F C6F C5F -180.0(12) . . . . ?
C4F C5F C6F C1F 1(2) . . . . ?
C1I P3 C1G C6G 140.7(14) . . . . ?
C1H P3 C1G C6G -111.1(14) . . . . ?
C1I P3 C1G C2G -32.1(15) . . . . ?
C1H P3 C1G C2G 76.1(15) . . . . ?
C6G C1G C2G C3G 5(3) . . . . ?
P3 C1G C2G C3G 177.5(13) . . . . ?
C1G C2G C3G C4G -2(3) . . . . ?
C2G C3G C4G C5G -1(3) . . . . ?
C3G C4G C5G C6G 1(3) . . . . ?
C2G C1G C6G C5G -5(2) . . . . ?
P3 C1G C6G C5G -177.7(12) . . . . ?
C4G C5G C6G C1G 2(3) . . . . ?
C1I P3 C1H C2H -66.1(15) . . . . ?
C1G P3 C1H C2H -170.8(14) . . . . ?
C1I P3 C1H C6H 111.7(14) . . . . ?
C1G P3 C1H C6H 7.1(15) . . . . ?
C6H C1H C2H C3H 5(2) . . . . ?
P3 C1H C2H C3H -177.1(13) . . . . ?
C1H C2H C3H C4H -2(3) . . . . ?
C2H C3H C4H C5H -1(3) . . . . ?
C3H C4H C5H C6H 0(3) . . . . ?
C4H C5H C6H C1H 4(3) . . . . ?
C2H C1H C6H C5H -6(2) . . . . ?
P3 C1H C6H C5H 176.1(13) . . . . ?
C1H P3 C1I C6I 12.2(18) . . . . ?
C1G P3 C1I C6I 118.5(16) . . . . ?
C1H P3 C1I C2I -163.0(13) . . . . ?
C1G P3 C1I C2I -56.7(14) . . . . ?
C6I C1I C2I C3I 4(3) . . . . ?
P3 C1I C2I C3I 179.3(14) . . . . ?
C1I C2I C3I C4I -2(3) . . . . ?
C2I C3I C4I C5I 0(2) . . . . ?
C3I C4I C5I C6I 1(3) . . . . ?
C2I C1I C6I C5I -2(2) . . . . ?
P3 C1I C6I C5I -177.7(13) . . . . ?
C4I C5I C6I C1I 0(3) . . . . ?
C1L P4 C1J C2J -55.3(15) . . . . ?
C1K P4 C1J C2J 50.2(15) . . . . ?
C1L P4 C1J C6J 129.7(14) . . . . ?
C1K P4 C1J C6J -124.7(14) . . . . ?
C6J C1J C2J C3J 1(2) . . . . ?
P4 C1J C2J C3J -174.2(12) . . . . ?
C1J C2J C3J C4J 1(2) . . . . ?
C2J C3J C4J C5J -2(2) . . . . ?
C3J C4J C5J C6J 0(2) . . . . ?
C4J C5J C6J C1J 3(2) . . . . ?
C2J C1J C6J C5J -3(2) . . . . ?
P4 C1J C6J C5J 172.1(13) . . . . ?
C1J P4 C1K C2K 88.0(15) . . . . ?
C1L P4 C1K C2K -166.1(14) . . . . ?
C1J P4 C1K C3K -90.5(14) . . . . ?
C1L P4 C1K C3K 15.4(15) . . . . ?
C3K C1K C2K C5K -3(2) . . . . ?
P4 C1K C2K C5K 179.0(12) . . . . ?
C2K C1K C3K C6K 1(2) . . . . ?
P4 C1K C3K C6K 179.7(13) . . . . ?
C6K C4K C5K C2K -2(2) . . . . ?
C1K C2K C5K C4K 3(2) . . . . ?
C5K C4K C6K C3K 0(3) . . . . ?
C1K C3K C6K C4K 0(3) . . . . ?
C1J P4 C1L C2L 159.1(13) . . . . ?
C1K P4 C1L C2L 56.2(15) . . . . ?
C1J P4 C1L C6L -25.9(15) . . . . ?
C1K P4 C1L C6L -128.9(14) . . . . ?
C6L C1L C2L C3L 1(2) . . . . ?
P4 C1L C2L C3L 176.5(13) . . . . ?
C1L C2L C3L C4L -3(3) . . . . ?
C2L C3L C4L C5L 1(3) . . . . ?
C3L C4L C5L C6L 2(3) . . . . ?
C4L C5L C6L C1L -4(3) . . . . ?
C2L C1L C6L C5L 2(2) . . . . ?
P4 C1L C6L C5L -173.1(13) . . . . ?
O11 C13 C14 C15 -175(5) . . . . ?
C13 C14 C15 C16 -163(5) . . . . ?
O12 C131 C141 C151 -45(5) . . . . ?
C131 C141 C151 C161 -87(4) . . . . ?

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
C6D H6D N7 0.95 2.70 3.65(2) 176.2 .
C6G H6G N8 0.95 2.61 3.51(2) 157.9 2_666

_refine_diff_density_max         2.25
_refine_diff_density_min         -1.93
_refine_diff_density_rms         0.274


####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1531343'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C160 H120 Ag4 N8 O8 P8 Re4, 2(C2 H3 N), (H2 O)'
_chemical_formula_sum            'C164 H128 Ag4 N10 O9 P8 Re4'
_chemical_formula_weight         3806.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.224(2)
_cell_length_b                   18.438(5)
_cell_length_c                   35.881(9)
_cell_angle_alpha                83.40(3)
_cell_angle_beta                 89.05(3)
_cell_angle_gamma                71.89(3)
_cell_volume                     7634(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    37032
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      30.00

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_F_000             3724
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    3.803
_shelx_estimated_absorpt_T_min   0.416
_shelx_estimated_absorpt_T_max   0.702
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.481
_exptl_absorpt_correction_T_max  0.707
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Kuma KM-4-CCD κ-geometry'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            73485
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.818
_diffrn_reflns_theta_max         26.499
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             31443
_reflns_number_gt                23503
_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       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_cell_refinement       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_data_reduction        
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0710P)²] 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         31443
_refine_ls_number_parameters     1778
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1263
_refine_ls_wR_factor_gt          0.1201
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.64926(2) 0.86338(2) 0.13210(2) 0.02255(7) Uani 1 1 d . . . . .
C1 C 0.6457(6) 0.8924(4) 0.07850(18) 0.0299(15) Uani 1 1 d . . . . .
O1 O 0.6410(4) 0.9113(3) 0.04647(13) 0.0374(12) Uani 1 1 d . . . . .
C2 C 0.5886(6) 0.9700(4) 0.1416(2) 0.0354(17) Uani 1 1 d . . . . .
O2 O 0.5518(5) 1.0323(3) 0.14857(17) 0.0525(15) Uani 1 1 d . . . . .
Re2 Re 0.62397(2) 0.69238(2) 0.41766(2) 0.01893(6) Uani 1 1 d . . . . .
C3 C 0.6413(6) 0.6623(4) 0.47128(19) 0.0275(15) Uani 1 1 d . . . . .
O3 O 0.6524(4) 0.6439(3) 0.50299(13) 0.0424(13) Uani 1 1 d . . . . .
C4 C 0.5765(5) 0.8018(4) 0.42347(17) 0.0222(13) Uani 1 1 d . . . . .
O4 O 0.5534(4) 0.8654(3) 0.42676(13) 0.0306(11) Uani 1 1 d . . . . .
Re3 Re 0.82825(2) 0.12031(2) 0.36120(2) 0.02021(6) Uani 1 1 d . . . . .
C5 C 0.8441(6) 0.0843(4) 0.41489(18) 0.0260(14) Uani 1 1 d . . . . .
O5 O 0.8566(5) 0.0657(3) 0.44617(13) 0.0388(12) Uani 1 1 d . . . . .
C6 C 0.8686(5) 0.0153(4) 0.34758(18) 0.0266(14) Uani 1 1 d . . . . .
O6 O 0.8901(4) -0.0453(3) 0.34003(15) 0.0368(12) Uani 1 1 d . . . . .
Re4 Re 0.81486(2) 0.30392(2) 0.07918(2) 0.02431(7) Uani 1 1 d . . . . .
C7 C 0.8018(6) 0.3185(4) 0.0253(2) 0.0326(16) Uani 1 1 d . . . . .
O7 O 0.7943(5) 0.3280(3) -0.00745(13) 0.0413(13) Uani 1 1 d . . . . .
C8 C 0.8774(6) 0.1936(4) 0.07882(18) 0.0298(15) Uani 1 1 d . . . . .
O8 O 0.9086(5) 0.1290(3) 0.07750(15) 0.0405(13) Uani 1 1 d . . . . .
Ag1 Ag 0.63695(5) 0.76572(4) 0.27417(2) 0.03820(14) Uani 1 1 d . . . . .
N1 N 0.6644(5) 0.8127(4) 0.22158(16) 0.0394(15) Uani 1 1 d . . . . .
C10 C 0.6588(6) 0.8293(4) 0.19011(18) 0.0275(15) Uani 1 1 d . . . . .
N2 N 0.5985(5) 0.7263(4) 0.32701(16) 0.0383(15) Uani 1 1 d . . . . .
C20 C 0.6057(5) 0.7159(4) 0.35878(17) 0.0258(14) Uani 1 1 d . . . . .
Ag2 Ag 0.73365(5) 0.40279(3) 0.39477(2) 0.04079(15) Uani 1 1 d . . . . .
N3 N 0.7516(5) 0.2930(3) 0.38506(16) 0.0312(13) Uani 1 1 d . . . . .
C30 C 0.7781(5) 0.2322(4) 0.37660(17) 0.0209(13) Uani 1 1 d . . . . .
N4 N 0.7141(6) 0.5148(3) 0.4008(2) 0.0464(17) Uani 1 1 d . . . . .
C40 C 0.6833(6) 0.5768(4) 0.4067(2) 0.0295(15) Uani 1 1 d . . . . .
Ag3 Ag 0.81327(6) 0.26181(4) 0.22418(2) 0.05349(18) Uani 1 1 d . . . . .
N5 N 0.8452(6) 0.2935(4) 0.16978(17) 0.0480(18) Uani 1 1 d . . . . .
C50 C 0.8339(6) 0.2971(4) 0.1376(2) 0.0350(17) Uani 1 1 d . . . . .
N6 N 0.8102(5) 0.2028(3) 0.27596(15) 0.0322(13) Uani 1 1 d . . . . .
C60 C 0.8153(5) 0.1714(4) 0.30554(18) 0.0252(14) Uani 1 1 d . . . . .
Ag4 Ag 0.70515(5) 0.58940(3) 0.09766(2) 0.04434(15) Uani 1 1 d . . . . .
N7 N 0.7177(5) 0.6847(4) 0.11906(18) 0.0416(16) Uani 1 1 d . . . . .
C70 C 0.7015(6) 0.7476(4) 0.12404(18) 0.0292(15) Uani 1 1 d . . . . .
N8 N 0.7005(6) 0.4870(4) 0.08192(19) 0.0433(16) Uani 1 1 d . . . . .
C80 C 0.7393(6) 0.4224(4) 0.08051(19) 0.0295(15) Uani 1 1 d . . . . .
P1 P 0.84460(14) 0.86516(10) 0.14028(4) 0.0225(3) Uani 1 1 d . . . . .
C1A C 0.9224(5) 0.8746(4) 0.09680(17) 0.0250(14) Uani 1 1 d . . . . .
C2A C 0.8719(6) 0.9359(4) 0.06900(18) 0.0298(15) Uani 1 1 d . . . . .
H2A H 0.8000 0.9725 0.0733 0.036 Uiso 1 1 calc R U . . .
C3A C 0.9274(6) 0.9426(4) 0.03545(19) 0.0343(16) Uani 1 1 d . . . . .
H3A H 0.8947 0.9851 0.0171 0.041 Uiso 1 1 calc R U . . .
C4A C 1.0309(7) 0.8877(4) 0.0282(2) 0.0372(18) Uani 1 1 d . . . . .
H4A H 1.0672 0.8920 0.0048 0.045 Uiso 1 1 calc R U . . .
C5A C 1.0799(7) 0.8275(4) 0.0550(2) 0.0397(18) Uani 1 1 d . . . . .
H5A H 1.1508 0.7904 0.0502 0.048 Uiso 1 1 calc R U . . .
C6A C 1.0263(6) 0.8205(4) 0.08917(19) 0.0314(15) Uani 1 1 d . . . . .
H6A H 1.0609 0.7784 0.1075 0.038 Uiso 1 1 calc R U . . .
C1B C 0.8554(5) 0.9430(4) 0.16611(18) 0.0264(14) Uani 1 1 d . . . . .
C2B C 0.8453(6) 0.9352(4) 0.20521(18) 0.0331(16) Uani 1 1 d . . . . .
H2B H 0.8312 0.8906 0.2175 0.040 Uiso 1 1 calc R U . . .
C3B C 0.8553(6) 0.9908(5) 0.2263(2) 0.0392(18) Uani 1 1 d . . . . .
H3B H 0.8513 0.9829 0.2528 0.047 Uiso 1 1 calc R U . . .
C4B C 0.8712(6) 1.0584(4) 0.2091(2) 0.0364(17) Uani 1 1 d . . . . .
H4B H 0.8779 1.0969 0.2235 0.044 Uiso 1 1 calc R U . . .
C5B C 0.8768(7) 1.0674(5) 0.1705(2) 0.0414(18) Uani 1 1 d . . . . .
H5B H 0.8864 1.1135 0.1583 0.050 Uiso 1 1 calc R U . . .
C6B C 0.8688(6) 1.0114(4) 0.1490(2) 0.0332(16) Uani 1 1 d . . . . .
H6B H 0.8726 1.0196 0.1225 0.040 Uiso 1 1 calc R U . . .
C1C C 0.9484(6) 0.7851(4) 0.16844(18) 0.0294(15) Uani 1 1 d . . . . .
C2C C 0.9281(7) 0.7146(4) 0.17882(19) 0.0357(17) Uani 1 1 d . . . . .
H2C H 0.8579 0.7076 0.1717 0.043 Uiso 1 1 calc R U . . .
C3C C 1.0110(8) 0.6553(5) 0.1995(2) 0.045(2) Uani 1 1 d . . . . .
H3C H 0.9975 0.6074 0.2061 0.054 Uiso 1 1 calc R U . . .
C4C C 1.1126(7) 0.6645(5) 0.2107(2) 0.051(2) Uani 1 1 d . . . . .
H4C H 1.1685 0.6235 0.2250 0.061 Uiso 1 1 calc R U . . .
C5C C 1.1327(7) 0.7351(5) 0.2009(2) 0.044(2) Uani 1 1 d . . . . .
H5C H 1.2028 0.7419 0.2083 0.052 Uiso 1 1 calc R U . . .
C6C C 1.0518(6) 0.7940(5) 0.18073(19) 0.0354(17) Uani 1 1 d . . . . .
H6C H 1.0654 0.8420 0.1749 0.042 Uiso 1 1 calc R U . . .
P2 P 0.45888(14) 0.84932(10) 0.13190(5) 0.0245(4) Uani 1 1 d . . . . .
C1D C 0.3409(6) 0.9282(4) 0.1097(2) 0.0338(16) Uani 1 1 d . . . . .
C2D C 0.3636(6) 0.9805(4) 0.0820(2) 0.0379(17) Uani 1 1 d . . . . .
H2D H 0.4404 0.9812 0.0783 0.045 Uiso 1 1 calc R U . . .
C3D C 0.2737(7) 1.0323(5) 0.0595(2) 0.0435(19) Uani 1 1 d . . . . .
H3D H 0.2896 1.0668 0.0400 0.052 Uiso 1 1 calc R U . . .
C4D C 0.1625(6) 1.0325(4) 0.0659(2) 0.0392(18) Uani 1 1 d . . . . .
H4D H 0.1013 1.0680 0.0511 0.047 Uiso 1 1 calc R U . . .
C5D C 0.1392(7) 0.9824(5) 0.0934(2) 0.0420(18) Uani 1 1 d . . . . .
H5D H 0.0618 0.9839 0.0979 0.050 Uiso 1 1 calc R U . . .
C6D C 0.2284(7) 0.9289(5) 0.1147(2) 0.0422(19) Uani 1 1 d . . . . .
H6D H 0.2117 0.8925 0.1330 0.051 Uiso 1 1 calc R U . . .
C1E C 0.4377(6) 0.7738(4) 0.10599(19) 0.0305(15) Uani 1 1 d . . . . .
C2E C 0.4797(7) 0.7689(5) 0.0698(2) 0.0397(18) Uani 1 1 d . . . . .
H2E H 0.5182 0.8037 0.0593 0.048 Uiso 1 1 calc R U . . .
C3E C 0.4653(6) 0.7125(5) 0.0488(2) 0.0412(19) Uani 1 1 d . . . . .
H3E H 0.4915 0.7108 0.0238 0.049 Uiso 1 1 calc R U . . .
C4E C 0.4143(7) 0.6603(5) 0.0639(2) 0.044(2) Uani 1 1 d . . . . .
H4E H 0.4111 0.6196 0.0504 0.053 Uiso 1 1 calc R U . . .
C5E C 0.3676(8) 0.6669(5) 0.0989(2) 0.053(2) Uani 1 1 d . . . . .
H5E H 0.3269 0.6329 0.1088 0.063 Uiso 1 1 calc R U . . .
C6E C 0.3792(7) 0.7225(5) 0.1198(2) 0.045(2) Uani 1 1 d . . . . .
H6E H 0.3468 0.7260 0.1441 0.054 Uiso 1 1 calc R U . . .
C1F C 0.4142(6) 0.8238(4) 0.17938(18) 0.0296(15) Uani 1 1 d . . . . .
C2F C 0.4652(6) 0.7486(4) 0.1963(2) 0.0352(17) Uani 1 1 d . . . . .
H2F H 0.5166 0.7121 0.1824 0.042 Uiso 1 1 calc R U . . .
C3F C 0.4418(6) 0.7266(5) 0.23340(19) 0.0359(17) Uani 1 1 d . . . . .
H3F H 0.4739 0.6749 0.2443 0.043 Uiso 1 1 calc R U . . .
C4F C 0.3713(7) 0.7810(5) 0.2539(2) 0.0437(19) Uani 1 1 d . . . . .
H4F H 0.3548 0.7671 0.2792 0.052 Uiso 1 1 calc R U . . .
C5F C 0.3247(7) 0.8560(5) 0.2374(2) 0.046(2) Uani 1 1 d . . . . .
H5F H 0.2778 0.8935 0.2518 0.055 Uiso 1 1 calc R U . . .
C6F C 0.3450(7) 0.8772(4) 0.2005(2) 0.0405(18) Uani 1 1 d . . . . .
H6F H 0.3112 0.9288 0.1897 0.049 Uiso 1 1 calc R U . . .
P3 P 0.43060(13) 0.68412(9) 0.41731(4) 0.0209(3) Uani 1 1 d . . . . .
C1G C 0.3273(6) 0.7455(4) 0.38121(17) 0.0272(15) Uani 1 1 d . . . . .
C2G C 0.3352(6) 0.8185(4) 0.36772(19) 0.0308(15) Uani 1 1 d . . . . .
H2G H 0.3975 0.8335 0.3760 0.037 Uiso 1 1 calc R U . . .
C3G C 0.2553(6) 0.8678(4) 0.3431(2) 0.0363(17) Uani 1 1 d . . . . .
H3G H 0.2621 0.9168 0.3344 0.044 Uiso 1 1 calc R U . . .
C4G C 0.1639(6) 0.8465(5) 0.33084(19) 0.0361(17) Uani 1 1 d . . . . .
H4G H 0.1068 0.8815 0.3142 0.043 Uiso 1 1 calc R U . . .
C5G C 0.1559(6) 0.7746(5) 0.3427(2) 0.0403(18) Uani 1 1 d . . . . .
H5G H 0.0949 0.7592 0.3337 0.048 Uiso 1 1 calc R U . . .
C6G C 0.2365(6) 0.7251(4) 0.36771(18) 0.0333(16) Uani 1 1 d . . . . .
H6G H 0.2300 0.6758 0.3759 0.040 Uiso 1 1 calc R U . . .
C1H C 0.3447(5) 0.7052(4) 0.45922(17) 0.0247(14) Uani 1 1 d . . . . .
C2H C 0.3729(6) 0.7473(4) 0.48516(18) 0.0299(15) Uani 1 1 d . . . . .
H2H H 0.4407 0.7620 0.4824 0.036 Uiso 1 1 calc R U . . .
C3H C 0.2999(6) 0.7681(5) 0.51571(19) 0.0395(18) Uani 1 1 d . . . . .
H3H H 0.3186 0.7976 0.5332 0.047 Uiso 1 1 calc R U . . .
C4H C 0.2028(7) 0.7465(6) 0.5204(2) 0.050(2) Uani 1 1 d . . . . .
H4H H 0.1541 0.7611 0.5409 0.060 Uiso 1 1 calc R U . . .
C5H C 0.1758(7) 0.7033(6) 0.4951(2) 0.054(2) Uani 1 1 d . . . . .
H5H H 0.1096 0.6869 0.4986 0.065 Uiso 1 1 calc R U . . .
C6H C 0.2451(6) 0.6837(5) 0.4645(2) 0.0411(19) Uani 1 1 d . . . . .
H6H H 0.2245 0.6552 0.4469 0.049 Uiso 1 1 calc R U . . .
C1I C 0.4327(6) 0.5867(4) 0.4112(2) 0.0299(15) Uani 1 1 d . . . . .
C2I C 0.4357(7) 0.5624(5) 0.3759(2) 0.0439(19) Uani 1 1 d . . . . .
H2I H 0.4273 0.5989 0.3543 0.053 Uiso 1 1 calc R U . . .
C3I C 0.4504(8) 0.4873(6) 0.3712(4) 0.074(4) Uani 1 1 d . . . . .
H3I H 0.4485 0.4727 0.3467 0.089 Uiso 1 1 calc R U . . .
C4I C 0.4681(8) 0.4328(6) 0.4022(5) 0.087(4) Uani 1 1 d . . . . .
H4I H 0.4809 0.3804 0.3990 0.105 Uiso 1 1 calc R U . . .
C5I C 0.4672(8) 0.4550(5) 0.4381(4) 0.073(4) Uani 1 1 d . . . . .
H5I H 0.4771 0.4179 0.4595 0.088 Uiso 1 1 calc R U . . .
C6I C 0.4516(6) 0.5313(4) 0.4425(3) 0.046(2) Uani 1 1 d . . . . .
H6I H 0.4539 0.5460 0.4670 0.055 Uiso 1 1 calc R U . . .
P4 P 0.81938(13) 0.69520(9) 0.41212(5) 0.0219(3) Uani 1 1 d . . . . .
C1J C 0.9376(5) 0.6065(4) 0.42672(19) 0.0271(14) Uani 1 1 d . . . . .
C2J C 0.9189(7) 0.5447(4) 0.44818(19) 0.0352(17) Uani 1 1 d . . . . .
H2J H 0.8437 0.5471 0.4565 0.042 Uiso 1 1 calc R U . . .
C3J C 1.0105(6) 0.4793(4) 0.4575(2) 0.0369(17) Uani 1 1 d . . . . .
H3J H 0.9974 0.4368 0.4724 0.044 Uiso 1 1 calc R U . . .
C4J C 1.1198(7) 0.4736(5) 0.4460(2) 0.045(2) Uani 1 1 d . . . . .
H4J H 1.1810 0.4273 0.4521 0.054 Uiso 1 1 calc R U . . .
C5J C 1.1398(6) 0.5349(5) 0.4257(3) 0.048(2) Uani 1 1 d . . . . .
H5J H 1.2156 0.5321 0.4181 0.058 Uiso 1 1 calc R U . . .
C6J C 1.0493(6) 0.6015(5) 0.4162(2) 0.048(2) Uani 1 1 d . . . . .
H6J H 1.0639 0.6444 0.4023 0.057 Uiso 1 1 calc R U . . .
C1K C 0.8554(6) 0.7653(4) 0.43836(19) 0.0298(15) Uani 1 1 d . . . . .
C2K C 0.8091(7) 0.7749(5) 0.4740(2) 0.050(2) Uani 1 1 d . . . . .
H2K H 0.7619 0.7452 0.4839 0.060 Uiso 1 1 calc R U . . .
C3K C 0.8317(8) 0.8274(6) 0.4950(3) 0.061(3) Uani 1 1 d . . . . .
H3K H 0.7997 0.8329 0.5192 0.073 Uiso 1 1 calc R U . . .
C4K C 0.8957(9) 0.8694(5) 0.4824(3) 0.063(3) Uani 1 1 d . . . . .
H4K H 0.9111 0.9045 0.4974 0.075 Uiso 1 1 calc R U . . .
C5K C 0.9388(10) 0.8623(6) 0.4485(3) 0.074(3) Uani 1 1 d . . . . .
H5K H 0.9827 0.8946 0.4390 0.089 Uiso 1 1 calc R U . . .
C6K C 0.9225(8) 0.8087(5) 0.4256(2) 0.051(2) Uani 1 1 d . . . . .
H6K H 0.9578 0.8034 0.4018 0.061 Uiso 1 1 calc R U . . .
C1L C 0.8551(5) 0.7187(4) 0.36332(18) 0.0266(14) Uani 1 1 d . . . . .
C2L C 0.9055(6) 0.6596(4) 0.3412(2) 0.0350(17) Uani 1 1 d . . . . .
H2L H 0.9264 0.6076 0.3521 0.042 Uiso 1 1 calc R U . . .
C3L C 0.9248(7) 0.6761(4) 0.3039(2) 0.0385(18) Uani 1 1 d . . . . .
H3L H 0.9593 0.6354 0.2893 0.046 Uiso 1 1 calc R U . . .
C4L C 0.8955(6) 0.7500(5) 0.2875(2) 0.0370(17) Uani 1 1 d . . . . .
H4L H 0.9111 0.7610 0.2618 0.044 Uiso 1 1 calc R U . . .
C5L C 0.8427(6) 0.8090(4) 0.30866(19) 0.0309(15) Uani 1 1 d . . . . .
H5L H 0.8197 0.8607 0.2972 0.037 Uiso 1 1 calc R U . . .
C6L C 0.8233(6) 0.7935(4) 0.34629(18) 0.0298(15) Uani 1 1 d . . . . .
H6L H 0.7879 0.8346 0.3606 0.036 Uiso 1 1 calc R U . . .
P5 P 1.02364(13) 0.12282(9) 0.35931(5) 0.0215(3) Uani 1 1 d . . . . .
C1M C 1.1040(5) 0.1015(4) 0.31598(18) 0.0254(14) Uani 1 1 d . . . . .
C2M C 1.0702(6) 0.0624(4) 0.28978(19) 0.0307(15) Uani 1 1 d . . . . .
H2M H 1.0018 0.0485 0.2934 0.037 Uiso 1 1 calc R U . . .
C3M C 1.1362(7) 0.0434(4) 0.2583(2) 0.0368(17) Uani 1 1 d . . . . .
H3M H 1.1123 0.0166 0.2406 0.044 Uiso 1 1 calc R U . . .
C4M C 1.2350(6) 0.0628(4) 0.2524(2) 0.0381(18) Uani 1 1 d . . . . .
H4M H 1.2789 0.0503 0.2306 0.046 Uiso 1 1 calc R U . . .
C5M C 1.2700(7) 0.1006(4) 0.2784(2) 0.0385(18) Uani 1 1 d . . . . .
H5M H 1.3396 0.1130 0.2751 0.046 Uiso 1 1 calc R U . . .
C6M C 1.2039(6) 0.1205(4) 0.30934(19) 0.0348(17) Uani 1 1 d . . . . .
H6M H 1.2278 0.1482 0.3266 0.042 Uiso 1 1 calc R U . . .
C1N C 1.1273(5) 0.0583(4) 0.39437(18) 0.0279(15) Uani 1 1 d . . . . .
C2N C 1.1100(6) -0.0101(4) 0.4088(2) 0.0355(17) Uani 1 1 d . . . . .
H2N H 1.0441 -0.0220 0.4012 0.043 Uiso 1 1 calc R U . . .
C3N C 1.1888(7) -0.0617(5) 0.4346(2) 0.0438(19) Uani 1 1 d . . . . .
H3N H 1.1748 -0.1077 0.4450 0.053 Uiso 1 1 calc R U . . .
C4N C 1.2857(6) -0.0469(5) 0.4450(2) 0.045(2) Uani 1 1 d . . . . .
H4N H 1.3395 -0.0825 0.4624 0.054 Uiso 1 1 calc R U . . .
C5N C 1.3048(6) 0.0209(5) 0.4300(2) 0.0385(18) Uani 1 1 d . . . . .
H5N H 1.3723 0.0316 0.4371 0.046 Uiso 1 1 calc R U . . .
C6N C 1.2273(6) 0.0726(5) 0.4050(2) 0.0366(17) Uani 1 1 d . . . . .
H6N H 1.2417 0.1186 0.3949 0.044 Uiso 1 1 calc R U . . .
C1O C 1.0317(5) 0.2173(4) 0.36590(19) 0.0279(15) Uani 1 1 d . . . . .
C2O C 1.0122(6) 0.2745(4) 0.3353(2) 0.0367(17) Uani 1 1 d . . . . .
H2O H 1.0026 0.2623 0.3108 0.044 Uiso 1 1 calc R U . . .
C3O C 1.0067(7) 0.3494(4) 0.3406(2) 0.0432(19) Uani 1 1 d . . . . .
H3O H 0.9944 0.3879 0.3198 0.052 Uiso 1 1 calc R U . . .
C4O C 1.0191(8) 0.3669(5) 0.3759(3) 0.052(2) Uani 1 1 d . . . . .
H4O H 1.0155 0.4179 0.3795 0.063 Uiso 1 1 calc R U . . .
C5O C 1.0368(7) 0.3117(5) 0.4065(2) 0.047(2) Uani 1 1 d . . . . .
H5O H 1.0449 0.3249 0.4309 0.056 Uiso 1 1 calc R U . . .
C6O C 1.0428(6) 0.2375(4) 0.4017(2) 0.0343(16) Uani 1 1 d . . . . .
H6O H 1.0544 0.1998 0.4229 0.041 Uiso 1 1 calc R U . . .
P6 P 0.62715(13) 0.13159(9) 0.35795(4) 0.0212(3) Uani 1 1 d . . . . .
C1P C 0.5631(6) 0.1260(4) 0.40399(18) 0.0287(15) Uani 1 1 d . . . . .
C2P C 0.6076(6) 0.0602(5) 0.42918(19) 0.0360(17) Uani 1 1 d . . . . .
H2P H 0.6663 0.0179 0.4211 0.043 Uiso 1 1 calc R U . . .
C3P C 0.5692(7) 0.0544(5) 0.4654(2) 0.046(2) Uani 1 1 d . . . . .
H3P H 0.6001 0.0088 0.4821 0.055 Uiso 1 1 calc R U . . .
C4P C 0.4837(7) 0.1174(6) 0.4769(2) 0.055(3) Uani 1 1 d . . . . .
H4P H 0.4560 0.1144 0.5017 0.066 Uiso 1 1 calc R U . . .
C5P C 0.4393(7) 0.1831(6) 0.4531(2) 0.049(2) Uani 1 1 d . . . . .
H5P H 0.3826 0.2258 0.4616 0.058 Uiso 1 1 calc R U . . .
C6P C 0.4774(6) 0.1875(4) 0.41624(19) 0.0345(16) Uani 1 1 d . . . . .
H6P H 0.4446 0.2327 0.3994 0.041 Uiso 1 1 calc R U . . .
C1Q C 0.5928(5) 0.0586(4) 0.33360(18) 0.0232(13) Uani 1 1 d . . . . .
C2Q C 0.5380(6) 0.0074(4) 0.3503(2) 0.0330(16) Uani 1 1 d . . . . .
H2Q H 0.5178 0.0082 0.3759 0.040 Uiso 1 1 calc R U . . .
C3Q C 0.5128(7) -0.0445(4) 0.3296(2) 0.0405(18) Uani 1 1 d . . . . .
H3Q H 0.4767 -0.0798 0.3413 0.049 Uiso 1 1 calc R U . . .
C4Q C 0.5398(7) -0.0454(4) 0.2925(2) 0.0391(18) Uani 1 1 d . . . . .
H4Q H 0.5212 -0.0807 0.2784 0.047 Uiso 1 1 calc R U . . .
C5Q C 0.5942(6) 0.0053(4) 0.2751(2) 0.0375(18) Uani 1 1 d . . . . .
H5Q H 0.6117 0.0053 0.2492 0.045 Uiso 1 1 calc R U . . .
C6Q C 0.6225(6) 0.0555(4) 0.29596(19) 0.0302(15) Uani 1 1 d . . . . .
H6Q H 0.6627 0.0884 0.2845 0.036 Uiso 1 1 calc R U . . .
C1R C 0.5257(6) 0.2177(4) 0.33279(18) 0.0266(14) Uani 1 1 d . . . . .
C2R C 0.5556(6) 0.2823(4) 0.31852(17) 0.0274(14) Uani 1 1 d . . . . .
H2R H 0.6322 0.2831 0.3218 0.033 Uiso 1 1 calc R U . . .
C3R C 0.4751(6) 0.3454(4) 0.29966(19) 0.0334(16) Uani 1 1 d . . . . .
H3R H 0.4969 0.3891 0.2902 0.040 Uiso 1 1 calc R U . . .
C4R C 0.3646(7) 0.3457(5) 0.2944(2) 0.045(2) Uani 1 1 d . . . . .
H4R H 0.3097 0.3891 0.2813 0.054 Uiso 1 1 calc R U . . .
C5R C 0.3334(7) 0.2818(5) 0.3084(2) 0.049(2) Uani 1 1 d . . . . .
H5R H 0.2564 0.2818 0.3051 0.058 Uiso 1 1 calc R U . . .
C6R C 0.4126(6) 0.2188(4) 0.3268(2) 0.0399(18) Uani 1 1 d . . . . .
H6R H 0.3903 0.1750 0.3357 0.048 Uiso 1 1 calc R U . . .
P7 P 1.00269(14) 0.32231(10) 0.07902(5) 0.0243(4) Uani 1 1 d . . . . .
C1S C 0.9972(6) 0.4204(4) 0.08575(19) 0.0325(16) Uani 1 1 d . . . . .
C2S C 0.9916(7) 0.4419(5) 0.1216(2) 0.0411(18) Uani 1 1 d . . . . .
H2S H 0.9948 0.4049 0.1426 0.049 Uiso 1 1 calc R U . . .
C3S C 0.9814(8) 0.5168(5) 0.1272(2) 0.051(2) Uani 1 1 d . . . . .
H3S H 0.9769 0.5311 0.1519 0.061 Uiso 1 1 calc R U . . .
C4S C 0.9776(7) 0.5710(5) 0.0965(3) 0.048(2) Uani 1 1 d . . . . .
H4S H 0.9756 0.6216 0.1004 0.058 Uiso 1 1 calc R U . . .
C5S C 0.9769(6) 0.5516(4) 0.0603(2) 0.0386(18) Uani 1 1 d . . . . .
H5S H 0.9700 0.5892 0.0393 0.046 Uiso 1 1 calc R U . . .
C6S C 0.9865(6) 0.4762(4) 0.0553(2) 0.0347(16) Uani 1 1 d . . . . .
H6S H 0.9858 0.4626 0.0306 0.042 Uiso 1 1 calc R U . . .
C1T C 1.0916(6) 0.3031(4) 0.03750(17) 0.0269(14) Uani 1 1 d . . . . .
C2T C 1.0762(6) 0.2525(4) 0.01383(19) 0.0331(16) Uani 1 1 d . . . . .
H2T H 1.0156 0.2307 0.0182 0.040 Uiso 1 1 calc R U . . .
C3T C 1.1481(6) 0.2334(4) -0.0162(2) 0.0345(16) Uani 1 1 d . . . . .
H3T H 1.1375 0.1982 -0.0320 0.041 Uiso 1 1 calc R U . . .
C4T C 1.2343(7) 0.2655(5) -0.0229(2) 0.0413(19) Uani 1 1 d . . . . .
H4T H 1.2833 0.2526 -0.0436 0.050 Uiso 1 1 calc R U . . .
C5T C 1.2514(6) 0.3172(4) 0.0005(2) 0.0378(17) Uani 1 1 d . . . . .
H5T H 1.3108 0.3399 -0.0044 0.045 Uiso 1 1 calc R U . . .
C6T C 1.1809(6) 0.3343(4) 0.03041(19) 0.0310(15) Uani 1 1 d . . . . .
H6T H 1.1932 0.3682 0.0467 0.037 Uiso 1 1 calc R U . . .
C1U C 1.1099(6) 0.2635(4) 0.11455(19) 0.0321(16) Uani 1 1 d . . . . .
C2U C 1.1980(7) 0.2887(5) 0.1269(2) 0.046(2) Uani 1 1 d . . . . .
H2U H 1.1976 0.3397 0.1190 0.055 Uiso 1 1 calc R U . . .
C3U C 1.2854(6) 0.2409(5) 0.1502(2) 0.049(2) Uani 1 1 d . . . . .
H3U H 1.3428 0.2599 0.1591 0.059 Uiso 1 1 calc R U . . .
C4U C 1.2901(7) 0.1654(6) 0.1607(2) 0.052(2) Uani 1 1 d . . . . .
H4U H 1.3523 0.1318 0.1760 0.063 Uiso 1 1 calc R U . . .
C5U C 1.2026(8) 0.1389(5) 0.1487(3) 0.055(2) Uani 1 1 d . . . . .
H5U H 1.2051 0.0871 0.1557 0.066 Uiso 1 1 calc R U . . .
C6U C 1.1121(8) 0.1888(4) 0.1266(2) 0.0442(19) Uani 1 1 d . . . . .
H6U H 1.0506 0.1715 0.1197 0.053 Uiso 1 1 calc R U . . .
P8 P 0.62484(15) 0.29149(10) 0.08789(5) 0.0271(4) Uani 1 1 d . . . . .
C1V C 0.5938(6) 0.2699(4) 0.13739(19) 0.0312(16) Uani 1 1 d . . . . .
C2V C 0.6012(6) 0.1955(4) 0.15322(19) 0.0342(16) Uani 1 1 d . . . . .
H2V H 0.6181 0.1550 0.1378 0.041 Uiso 1 1 calc R U . . .
C3V C 0.5842(6) 0.1805(4) 0.1906(2) 0.0379(17) Uani 1 1 d . . . . .
H3V H 0.5910 0.1295 0.2009 0.046 Uiso 1 1 calc R U . . .
C4V C 0.5572(7) 0.2385(5) 0.2139(2) 0.047(2) Uani 1 1 d . . . . .
H4V H 0.5415 0.2280 0.2396 0.057 Uiso 1 1 calc R U . . .
C5V C 0.5535(7) 0.3118(5) 0.1990(2) 0.044(2) Uani 1 1 d . . . . .
H5V H 0.5377 0.3518 0.2147 0.053 Uiso 1 1 calc R U . . .
C6V C 0.5727(7) 0.3270(5) 0.1614(2) 0.0416(19) Uani 1 1 d . . . . .
H6V H 0.5715 0.3774 0.1516 0.050 Uiso 1 1 calc R U . . .
C1W C 0.4982(6) 0.3736(4) 0.0719(2) 0.0361(17) Uani 1 1 d . . . . .
C2W C 0.4016(7) 0.4036(5) 0.0935(2) 0.0440(19) Uani 1 1 d . . . . .
H2W H 0.4014 0.3844 0.1192 0.053 Uiso 1 1 calc R U . . .
C3W C 0.3062(7) 0.4612(5) 0.0776(3) 0.052(2) Uani 1 1 d . . . . .
H3W H 0.2416 0.4821 0.0925 0.062 Uiso 1 1 calc R U . . .
C4W C 0.3055(6) 0.4879(4) 0.0402(3) 0.049(2) Uani 1 1 d . . . . .
H4W H 0.2391 0.5262 0.0293 0.059 Uiso 1 1 calc R U . . .
C5W C 0.3996(7) 0.4600(5) 0.0184(3) 0.048(2) Uani 1 1 d . . . . .
H5W H 0.3980 0.4788 -0.0075 0.057 Uiso 1 1 calc R U . . .
C6W C 0.4961(7) 0.4048(4) 0.0343(2) 0.0371(17) Uani 1 1 d . . . . .
H6W H 0.5624 0.3875 0.0195 0.045 Uiso 1 1 calc R U . . .
C1Z C 0.5889(6) 0.2174(4) 0.06439(19) 0.0293(15) Uani 1 1 d . . . . .
C2Z C 0.4846(7) 0.2058(5) 0.0718(2) 0.045(2) Uani 1 1 d . . . . .
H2Z H 0.4348 0.2344 0.0892 0.054 Uiso 1 1 calc R U . . .
C3Z C 0.4516(8) 0.1534(5) 0.0544(3) 0.058(2) Uani 1 1 d . . . . .
H3Z H 0.3800 0.1450 0.0600 0.069 Uiso 1 1 calc R U . . .
C4Z C 0.5232(8) 0.1130(5) 0.0288(3) 0.051(2) Uani 1 1 d . . . . .
H4Z H 0.5010 0.0764 0.0167 0.061 Uiso 1 1 calc R U . . .
C5Z C 0.6259(8) 0.1253(5) 0.0208(2) 0.047(2) Uani 1 1 d . . . . .
H5Z H 0.6748 0.0974 0.0029 0.057 Uiso 1 1 calc R U . . .
C6Z C 0.6591(7) 0.1778(4) 0.0383(2) 0.0383(18) Uani 1 1 d . . . . .
H6Z H 0.7302 0.1866 0.0324 0.046 Uiso 1 1 calc R U . . .
C21 C 1.0987(17) 0.2847(11) 0.2231(5) 0.157(7) Uiso 1 1 d . . . . .
H21A H 1.1772 0.2643 0.2337 0.236 Uiso 1 1 calc R U . . .
H21B H 1.1008 0.2822 0.1960 0.236 Uiso 1 1 calc R U . . .
H21C H 1.0519 0.2540 0.2347 0.236 Uiso 1 1 calc R U . . .
N11 N 1.021(2) 0.4246(17) 0.2374(7) 0.282(13) Uiso 1 1 d . . . . .
C11 C 1.052(2) 0.3592(17) 0.2300(7) 0.185(9) Uiso 1 1 d . . . . .
N12 N 0.732(3) 0.4006(17) 0.2562(8) 0.149(11) Uiso 0.5 1 d D . P A 1
C12 C 0.737(3) 0.4470(19) 0.2744(10) 0.137(12) Uiso 0.5 1 d D . P A 1
C22 C 0.670(4) 0.513(2) 0.2957(11) 0.165(16) Uiso 0.5 1 d D . P A 1
H22A H 0.6314 0.4980 0.3181 0.248 Uiso 0.5 1 d R U P A 1
H22B H 0.6114 0.5464 0.2775 0.248 Uiso 0.5 1 d R U P A 1
H22C H 0.7206 0.5416 0.3027 0.248 Uiso 0.5 1 d R U P A 1
N13 N 0.739(2) 0.5253(15) 0.3058(7) 0.110(8) Uiso 0.5 1 d D . P B 2
C13 C 0.755(5) 0.563(3) 0.2793(12) 0.24(2) Uiso 0.5 1 d D . P B 2
C23 C 0.747(4) 0.592(3) 0.2382(11) 0.23(2) Uiso 0.5 1 d D . P B 2
H23A H 0.8087 0.6160 0.2341 0.345 Uiso 0.5 1 d R U P B 2
H23B H 0.6725 0.6317 0.2327 0.345 Uiso 0.5 1 d R U P B 2
H23C H 0.7577 0.5523 0.2216 0.345 Uiso 0.5 1 d R U P B 2
O1W O 0.710(3) 0.493(2) 0.1877(10) 0.227(15) Uiso 0.5 1 d . . P . .
O2W O 0.422(5) 0.519(3) 0.1856(15) 0.18(2) Uiso 0.25 1 d . . P . .
O3W O 0.726(6) 0.554(4) 0.1861(19) 0.21(3) Uiso 0.25 1 d . . P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Re1 C1 1.934(7) . ?
Re1 C2 1.941(7) . ?
Re1 C70 2.082(7) . ?
Re1 C10 2.098(7) . ?
Re1 P2 2.4206(17) . ?
Re1 P1 2.4213(17) . ?
C1 O1 1.159(8) . ?
C2 O2 1.151(8) . ?
Re2 C3 1.936(7) . ?
Re2 C4 1.953(6) . ?
Re2 C40 2.108(6) . ?
Re2 C20 2.109(6) . ?
Re2 P4 2.4098(16) . ?
Re2 P3 2.4158(16) . ?
C3 O3 1.147(8) . ?
C4 O4 1.139(7) . ?
Re3 C5 1.957(6) . ?
Re3 C6 1.960(7) . ?
Re3 C60 2.095(7) . ?
Re3 C30 2.099(6) . ?
Re3 P5 2.4029(16) . ?
Re3 P6 2.4054(16) . ?
C5 O5 1.134(7) . ?
C6 O6 1.131(8) . ?
Re4 C7 1.924(7) . ?
Re4 C8 1.940(7) . ?
Re4 C80 2.096(7) . ?
Re4 C50 2.097(7) . ?
Re4 P8 2.4158(18) . ?
Re4 P7 2.4228(18) . ?
C7 O7 1.168(8) . ?
C8 O8 1.138(8) . ?
Ag1 N1 2.051(6) . ?
Ag1 N2 2.051(6) . ?
N1 C10 1.133(8) . ?
N2 C20 1.134(8) . ?
Ag2 N3 2.038(6) . ?
Ag2 N4 2.041(6) . ?
N3 C30 1.141(8) . ?
N4 C40 1.130(8) . ?
Ag3 N5 2.039(6) . ?
Ag3 N6 2.048(6) . ?
N5 C50 1.158(9) . ?
N6 C60 1.142(8) . ?
Ag4 N7 2.045(6) . ?
Ag4 N8 2.049(6) . ?
N7 C70 1.149(9) . ?
N8 C80 1.145(9) . ?
P1 C1C 1.829(7) . ?
P1 C1A 1.833(6) . ?
P1 C1B 1.835(7) . ?
C1A C6A 1.395(9) . ?
C1A C2A 1.408(9) . ?
C2A C3A 1.384(9) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.395(10) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.367(11) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.394(9) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C6B 1.393(10) . ?
C1B C2B 1.401(9) . ?
C2B C3B 1.377(10) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.393(11) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.380(10) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.385(10) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.406(10) . ?
C1C C6C 1.408(10) . ?
C2C C3C 1.387(10) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.377(12) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.404(12) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.361(10) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1D 1.816(8) . ?
P2 C1F 1.835(7) . ?
P2 C1E 1.844(7) . ?
C1D C6D 1.381(10) . ?
C1D C2D 1.388(10) . ?
C2D C3D 1.404(11) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.374(11) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.360(11) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.391(11) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C2E 1.390(10) . ?
C1E C6E 1.398(10) . ?
C2E C3E 1.408(10) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.360(11) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.373(11) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.381(11) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.376(9) . ?
C1F C2F 1.400(10) . ?
C2F C3F 1.397(10) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.378(10) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.386(11) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.376(10) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
P3 C1I 1.827(7) . ?
P3 C1H 1.828(6) . ?
P3 C1G 1.839(7) . ?
C1G C6G 1.387(9) . ?
C1G C2G 1.407(10) . ?
C2G C3G 1.361(10) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.388(10) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.378(11) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.374(10) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.389(9) . ?
C1H C6H 1.397(9) . ?
C2H C3H 1.413(9) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.367(11) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.381(11) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.385(10) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C2I 1.387(10) . ?
C1I C6I 1.401(10) . ?
C2I C3I 1.370(12) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.381(17) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.395(17) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.388(12) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
P4 C1L 1.834(6) . ?
P4 C1K 1.843(7) . ?
P4 C1J 1.843(7) . ?
C1J C2J 1.378(10) . ?
C1J C6J 1.388(9) . ?
C2J C3J 1.379(10) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.368(11) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.356(12) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.385(11) . ?
C5J H5J 0.9500 . ?
C6J H6J 0.9500 . ?
C1K C6K 1.355(11) . ?
C1K C2K 1.397(10) . ?
C2K C3K 1.386(11) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.304(14) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.322(14) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.415(13) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1L C6L 1.381(9) . ?
C1L C2L 1.401(9) . ?
C2L C3L 1.370(10) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.360(10) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.383(10) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.380(9) . ?
C5L H5L 0.9500 . ?
C6L H6L 0.9500 . ?
P5 C1O 1.818(7) . ?
P5 C1N 1.837(7) . ?
P5 C1M 1.840(6) . ?
C1M C6M 1.382(9) . ?
C1M C2M 1.389(9) . ?
C2M C3M 1.391(9) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.370(10) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.373(10) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.378(9) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1N C2N 1.384(10) . ?
C1N C6N 1.396(10) . ?
C2N C3N 1.395(10) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.362(11) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.390(12) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.371(10) . ?
C5N H5N 0.9500 . ?
C6N H6N 0.9500 . ?
C1O C6O 1.399(9) . ?
C1O C2O 1.400(10) . ?
C2O C3O 1.396(10) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.364(11) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.379(12) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.378(10) . ?
C5O H5O 0.9500 . ?
C6O H6O 0.9500 . ?
P6 C1P 1.822(6) . ?
P6 C1R 1.833(7) . ?
P6 C1Q 1.840(6) . ?
C1P C6P 1.392(9) . ?
C1P C2P 1.393(10) . ?
C2P C3P 1.379(10) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.397(12) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.364(13) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.397(10) . ?
C5P H5P 0.9500 . ?
C6P H6P 0.9500 . ?
C1Q C6Q 1.395(9) . ?
C1Q C2Q 1.396(9) . ?
C2Q C3Q 1.382(10) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.369(10) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.393(10) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.378(9) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?
C1R C2R 1.392(9) . ?
C1R C6R 1.397(9) . ?
C2R C3R 1.381(9) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.366(10) . ?
C3R H3R 0.9500 . ?
C4R C5R 1.385(11) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.368(10) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
P7 C1S 1.832(7) . ?
P7 C1T 1.832(6) . ?
P7 C1U 1.836(7) . ?
C1S C2S 1.384(9) . ?
C1S C6S 1.391(10) . ?
C2S C3S 1.385(11) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.389(12) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.388(11) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.390(10) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C1T C2T 1.386(9) . ?
C1T C6T 1.391(9) . ?
C2T C3T 1.385(9) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.365(10) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.403(10) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.368(9) . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?
C1U C6U 1.388(10) . ?
C1U C2U 1.394(10) . ?
C2U C3U 1.376(11) . ?
C2U H2U 0.9500 . ?
C3U C4U 1.384(12) . ?
C3U H3U 0.9500 . ?
C4U C5U 1.399(12) . ?
C4U H4U 0.9500 . ?
C5U C6U 1.389(11) . ?
C5U H5U 0.9500 . ?
C6U H6U 0.9500 . ?
P8 C1V 1.835(7) . ?
P8 C1W 1.841(8) . ?
P8 C1Z 1.849(7) . ?
C1V C6V 1.396(10) . ?
C1V C2V 1.399(10) . ?
C2V C3V 1.363(10) . ?
C2V H2V 0.9500 . ?
C3V C4V 1.388(11) . ?
C3V H3V 0.9500 . ?
C4V C5V 1.382(12) . ?
C4V H4V 0.9500 . ?
C5V C6V 1.378(11) . ?
C5V H5V 0.9500 . ?
C6V H6V 0.9500 . ?
C1W C2W 1.400(10) . ?
C1W C6W 1.404(10) . ?
C2W C3W 1.388(11) . ?
C2W H2W 0.9500 . ?
C3W C4W 1.374(12) . ?
C3W H3W 0.9500 . ?
C4W C5W 1.377(12) . ?
C4W H4W 0.9500 . ?
C5W C6W 1.377(10) . ?
C5W H5W 0.9500 . ?
C6W H6W 0.9500 . ?
C1Z C2Z 1.374(10) . ?
C1Z C6Z 1.375(10) . ?
C2Z C3Z 1.368(11) . ?
C2Z H2Z 0.9500 . ?
C3Z C4Z 1.375(12) . ?
C3Z H3Z 0.9500 . ?
C4Z C5Z 1.364(12) . ?
C4Z H4Z 0.9500 . ?
C5Z C6Z 1.373(10) . ?
C5Z H5Z 0.9500 . ?
C6Z H6Z 0.9500 . ?
C21 C11 1.37(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
N11 C11 1.21(3) . ?
N12 C12 1.150(18) . ?
C12 C22 1.524(19) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
N13 C13 1.154(19) . ?
C13 C23 1.510(19) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O1W O3W 1.20(7) . ?
O3W H23C 1.3331 . ?

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
C1 Re1 C2 91.6(3) . . ?
C1 Re1 C70 90.7(3) . . ?
C2 Re1 C70 175.0(3) . . ?
C1 Re1 C10 178.0(3) . . ?
C2 Re1 C10 89.7(3) . . ?
C70 Re1 C10 88.1(3) . . ?
C1 Re1 P2 93.4(2) . . ?
C2 Re1 P2 92.1(2) . . ?
C70 Re1 P2 83.35(19) . . ?
C10 Re1 P2 87.98(19) . . ?
C1 Re1 P1 93.9(2) . . ?
C2 Re1 P1 91.0(2) . . ?
C70 Re1 P1 93.3(2) . . ?
C10 Re1 P1 84.65(19) . . ?
P2 Re1 P1 172.00(6) . . ?
O1 C1 Re1 178.3(7) . . ?
O2 C2 Re1 177.3(7) . . ?
C3 Re2 C4 92.9(3) . . ?
C3 Re2 C40 91.5(3) . . ?
C4 Re2 C40 174.5(2) . . ?
C3 Re2 C20 175.3(3) . . ?
C4 Re2 C20 91.6(3) . . ?
C40 Re2 C20 84.0(3) . . ?
C3 Re2 P4 92.6(2) . . ?
C4 Re2 P4 88.41(18) . . ?
C40 Re2 P4 88.23(18) . . ?
C20 Re2 P4 88.62(18) . . ?
C3 Re2 P3 91.9(2) . . ?
C4 Re2 P3 94.94(19) . . ?
C40 Re2 P3 88.06(19) . . ?
C20 Re2 P3 86.63(18) . . ?
P4 Re2 P3 174.25(5) . . ?
O3 C3 Re2 179.4(7) . . ?
O4 C4 Re2 177.2(5) . . ?
C5 Re3 C6 92.3(3) . . ?
C5 Re3 C60 172.7(3) . . ?
C6 Re3 C60 94.3(3) . . ?
C5 Re3 C30 86.9(3) . . ?
C6 Re3 C30 177.5(2) . . ?
C60 Re3 C30 86.6(2) . . ?
C5 Re3 P5 91.2(2) . . ?
C6 Re3 P5 93.83(19) . . ?
C60 Re3 P5 85.43(18) . . ?
C30 Re3 P5 88.55(16) . . ?
C5 Re3 P6 94.2(2) . . ?
C6 Re3 P6 90.18(19) . . ?
C60 Re3 P6 88.75(18) . . ?
C30 Re3 P6 87.52(17) . . ?
P5 Re3 P6 173.16(6) . . ?
O5 C5 Re3 176.5(6) . . ?
O6 C6 Re3 178.7(6) . . ?
C7 Re4 C8 90.8(3) . . ?
C7 Re4 C80 89.9(3) . . ?
C8 Re4 C80 177.1(3) . . ?
C7 Re4 C50 174.7(3) . . ?
C8 Re4 C50 93.3(3) . . ?
C80 Re4 C50 86.1(3) . . ?
C7 Re4 P8 94.3(2) . . ?
C8 Re4 P8 89.6(2) . . ?
C80 Re4 P8 87.53(19) . . ?
C50 Re4 P8 89.1(2) . . ?
C7 Re4 P7 92.9(2) . . ?
C8 Re4 P7 93.7(2) . . ?
C80 Re4 P7 89.05(19) . . ?
C50 Re4 P7 83.5(2) . . ?
P8 Re4 P7 172.06(6) . . ?
O7 C7 Re4 179.4(6) . . ?
O8 C8 Re4 176.1(7) . . ?
N1 Ag1 N2 175.5(3) . . ?
C10 N1 Ag1 161.5(6) . . ?
N1 C10 Re1 178.2(6) . . ?
C20 N2 Ag1 155.9(6) . . ?
N2 C20 Re2 177.8(6) . . ?
N3 Ag2 N4 176.3(3) . . ?
C30 N3 Ag2 168.4(6) . . ?
N3 C30 Re3 179.5(6) . . ?
C40 N4 Ag2 166.8(6) . . ?
N4 C40 Re2 179.4(7) . . ?
N5 Ag3 N6 165.0(3) . . ?
C50 N5 Ag3 154.4(6) . . ?
N5 C50 Re4 179.5(7) . . ?
C60 N6 Ag3 175.0(6) . . ?
N6 C60 Re3 175.8(6) . . ?
N7 Ag4 N8 173.5(3) . . ?
C70 N7 Ag4 161.5(6) . . ?
N7 C70 Re1 172.5(6) . . ?
C80 N8 Ag4 152.4(6) . . ?
N8 C80 Re4 178.1(7) . . ?
C1C P1 C1A 102.5(3) . . ?
C1C P1 C1B 98.2(3) . . ?
C1A P1 C1B 105.0(3) . . ?
C1C P1 Re1 119.7(2) . . ?
C1A P1 Re1 115.4(2) . . ?
C1B P1 Re1 113.8(2) . . ?
C6A C1A C2A 118.6(6) . . ?
C6A C1A P1 122.4(5) . . ?
C2A C1A P1 118.8(5) . . ?
C3A C2A C1A 119.7(7) . . ?
C3A C2A H2A 120.1 . . ?
C1A C2A H2A 120.1 . . ?
C2A C3A C4A 120.8(7) . . ?
C2A C3A H3A 119.6 . . ?
C4A C3A H3A 119.6 . . ?
C5A C4A C3A 119.8(7) . . ?
C5A C4A H4A 120.1 . . ?
C3A C4A H4A 120.1 . . ?
C4A C5A C6A 120.3(7) . . ?
C4A C5A H5A 119.9 . . ?
C6A C5A H5A 119.9 . . ?
C5A C6A C1A 120.8(7) . . ?
C5A C6A H6A 119.6 . . ?
C1A C6A H6A 119.6 . . ?
C6B C1B C2B 117.4(6) . . ?
C6B C1B P1 123.8(5) . . ?
C2B C1B P1 118.7(5) . . ?
C3B C2B C1B 121.5(7) . . ?
C3B C2B H2B 119.3 . . ?
C1B C2B H2B 119.3 . . ?
C2B C3B C4B 120.8(7) . . ?
C2B C3B H3B 119.6 . . ?
C4B C3B H3B 119.6 . . ?
C5B C4B C3B 117.8(7) . . ?
C5B C4B H4B 121.1 . . ?
C3B C4B H4B 121.1 . . ?
C4B C5B C6B 122.0(7) . . ?
C4B C5B H5B 119.0 . . ?
C6B C5B H5B 119.0 . . ?
C5B C6B C1B 120.4(7) . . ?
C5B C6B H6B 119.8 . . ?
C1B C6B H6B 119.8 . . ?
C2C C1C C6C 118.3(7) . . ?
C2C C1C P1 122.2(6) . . ?
C6C C1C P1 119.5(5) . . ?
C3C C2C C1C 119.7(7) . . ?
C3C C2C H2C 120.1 . . ?
C1C C2C H2C 120.1 . . ?
C4C C3C C2C 121.1(8) . . ?
C4C C3C H3C 119.4 . . ?
C2C C3C H3C 119.4 . . ?
C3C C4C C5C 119.4(8) . . ?
C3C C4C H4C 120.3 . . ?
C5C C4C H4C 120.3 . . ?
C6C C5C C4C 120.1(8) . . ?
C6C C5C H5C 119.9 . . ?
C4C C5C H5C 119.9 . . ?
C5C C6C C1C 121.3(7) . . ?
C5C C6C H6C 119.4 . . ?
C1C C6C H6C 119.4 . . ?
C1D P2 C1F 107.4(3) . . ?
C1D P2 C1E 97.0(3) . . ?
C1F P2 C1E 102.5(3) . . ?
C1D P2 Re1 118.6(2) . . ?
C1F P2 Re1 111.8(2) . . ?
C1E P2 Re1 117.5(2) . . ?
C6D C1D C2D 118.6(7) . . ?
C6D C1D P2 120.5(6) . . ?
C2D C1D P2 119.8(5) . . ?
C1D C2D C3D 120.5(7) . . ?
C1D C2D H2D 119.8 . . ?
C3D C2D H2D 119.8 . . ?
C4D C3D C2D 119.3(7) . . ?
C4D C3D H3D 120.4 . . ?
C2D C3D H3D 120.4 . . ?
C5D C4D C3D 120.7(8) . . ?
C5D C4D H4D 119.7 . . ?
C3D C4D H4D 119.7 . . ?
C4D C5D C6D 120.2(7) . . ?
C4D C5D H5D 119.9 . . ?
C6D C5D H5D 119.9 . . ?
C1D C6D C5D 120.7(7) . . ?
C1D C6D H6D 119.6 . . ?
C5D C6D H6D 119.6 . . ?
C2E C1E C6E 117.7(7) . . ?
C2E C1E P2 117.9(5) . . ?
C6E C1E P2 124.4(5) . . ?
C1E C2E C3E 120.1(7) . . ?
C1E C2E H2E 120.0 . . ?
C3E C2E H2E 120.0 . . ?
C4E C3E C2E 120.9(7) . . ?
C4E C3E H3E 119.6 . . ?
C2E C3E H3E 119.6 . . ?
C3E C4E C5E 119.4(7) . . ?
C3E C4E H4E 120.3 . . ?
C5E C4E H4E 120.3 . . ?
C4E C5E C6E 120.6(8) . . ?
C4E C5E H5E 119.7 . . ?
C6E C5E H5E 119.7 . . ?
C5E C6E C1E 121.1(7) . . ?
C5E C6E H6E 119.4 . . ?
C1E C6E H6E 119.4 . . ?
C6F C1F C2F 118.8(6) . . ?
C6F C1F P2 122.8(6) . . ?
C2F C1F P2 117.8(5) . . ?
C3F C2F C1F 121.0(6) . . ?
C3F C2F H2F 119.5 . . ?
C1F C2F H2F 119.5 . . ?
C4F C3F C2F 119.0(7) . . ?
C4F C3F H3F 120.5 . . ?
C2F C3F H3F 120.5 . . ?
C3F C4F C5F 119.6(7) . . ?
C3F C4F H4F 120.2 . . ?
C5F C4F H4F 120.2 . . ?
C6F C5F C4F 121.4(7) . . ?
C6F C5F H5F 119.3 . . ?
C4F C5F H5F 119.3 . . ?
C1F C6F C5F 120.0(7) . . ?
C1F C6F H6F 120.0 . . ?
C5F C6F H6F 120.0 . . ?
C1I P3 C1H 103.6(3) . . ?
C1I P3 C1G 104.2(3) . . ?
C1H P3 C1G 99.8(3) . . ?
C1I P3 Re2 110.6(2) . . ?
C1H P3 Re2 118.1(2) . . ?
C1G P3 Re2 118.6(2) . . ?
C6G C1G C2G 117.4(7) . . ?
C6G C1G P3 122.9(5) . . ?
C2G C1G P3 119.6(5) . . ?
C3G C2G C1G 121.3(7) . . ?
C3G C2G H2G 119.3 . . ?
C1G C2G H2G 119.3 . . ?
C2G C3G C4G 119.9(7) . . ?
C2G C3G H3G 120.1 . . ?
C4G C3G H3G 120.1 . . ?
C5G C4G C3G 120.0(7) . . ?
C5G C4G H4G 120.0 . . ?
C3G C4G H4G 120.0 . . ?
C6G C5G C4G 119.8(7) . . ?
C6G C5G H5G 120.1 . . ?
C4G C5G H5G 120.1 . . ?
C5G C6G C1G 121.5(7) . . ?
C5G C6G H6G 119.2 . . ?
C1G C6G H6G 119.2 . . ?
C2H C1H C6H 118.6(6) . . ?
C2H C1H P3 120.7(5) . . ?
C6H C1H P3 120.5(5) . . ?
C1H C2H C3H 119.6(6) . . ?
C1H C2H H2H 120.2 . . ?
C3H C2H H2H 120.2 . . ?
C4H C3H C2H 120.8(7) . . ?
C4H C3H H3H 119.6 . . ?
C2H C3H H3H 119.6 . . ?
C3H C4H C5H 119.7(7) . . ?
C3H C4H H4H 120.1 . . ?
C5H C4H H4H 120.1 . . ?
C4H C5H C6H 120.2(7) . . ?
C4H C5H H5H 119.9 . . ?
C6H C5H H5H 119.9 . . ?
C5H C6H C1H 121.0(7) . . ?
C5H C6H H6H 119.5 . . ?
C1H C6H H6H 119.5 . . ?
C2I C1I C6I 118.2(7) . . ?
C2I C1I P3 121.7(6) . . ?
C6I C1I P3 119.1(6) . . ?
C3I C2I C1I 121.9(9) . . ?
C3I C2I H2I 119.0 . . ?
C1I C2I H2I 119.0 . . ?
C2I C3I C4I 119.8(10) . . ?
C2I C3I H3I 120.1 . . ?
C4I C3I H3I 120.1 . . ?
C3I C4I C5I 119.9(9) . . ?
C3I C4I H4I 120.1 . . ?
C5I C4I H4I 120.1 . . ?
C6I C5I C4I 119.9(10) . . ?
C6I C5I H5I 120.0 . . ?
C4I C5I H5I 120.0 . . ?
C5I C6I C1I 120.2(9) . . ?
C5I C6I H6I 119.9 . . ?
C1I C6I H6I 119.9 . . ?
C1L P4 C1K 105.1(3) . . ?
C1L P4 C1J 102.0(3) . . ?
C1K P4 C1J 101.9(3) . . ?
C1L P4 Re2 112.0(2) . . ?
C1K P4 Re2 115.5(2) . . ?
C1J P4 Re2 118.6(2) . . ?
C2J C1J C6J 118.5(7) . . ?
C2J C1J P4 122.0(5) . . ?
C6J C1J P4 119.5(6) . . ?
C1J C2J C3J 119.2(7) . . ?
C1J C2J H2J 120.4 . . ?
C3J C2J H2J 120.4 . . ?
C4J C3J C2J 122.0(8) . . ?
C4J C3J H3J 119.0 . . ?
C2J C3J H3J 119.0 . . ?
C5J C4J C3J 119.3(7) . . ?
C5J C4J H4J 120.3 . . ?
C3J C4J H4J 120.3 . . ?
C4J C5J C6J 119.8(7) . . ?
C4J C5J H5J 120.1 . . ?
C6J C5J H5J 120.1 . . ?
C5J C6J C1J 121.1(8) . . ?
C5J C6J H6J 119.4 . . ?
C1J C6J H6J 119.4 . . ?
C6K C1K C2K 117.5(7) . . ?
C6K C1K P4 125.0(6) . . ?
C2K C1K P4 117.5(6) . . ?
C3K C2K C1K 120.4(8) . . ?
C3K C2K H2K 119.8 . . ?
C1K C2K H2K 119.8 . . ?
C4K C3K C2K 121.8(9) . . ?
C4K C3K H3K 119.1 . . ?
C2K C3K H3K 119.1 . . ?
C3K C4K C5K 119.0(9) . . ?
C3K C4K H4K 120.5 . . ?
C5K C4K H4K 120.5 . . ?
C4K C5K C6K 122.9(9) . . ?
C4K C5K H5K 118.6 . . ?
C6K C5K H5K 118.6 . . ?
C1K C6K C5K 118.4(9) . . ?
C1K C6K H6K 120.8 . . ?
C5K C6K H6K 120.8 . . ?
C6L C1L C2L 118.1(6) . . ?
C6L C1L P4 121.7(5) . . ?
C2L C1L P4 119.9(5) . . ?
C3L C2L C1L 120.6(7) . . ?
C3L C2L H2L 119.7 . . ?
C1L C2L H2L 119.7 . . ?
C4L C3L C2L 120.9(7) . . ?
C4L C3L H3L 119.5 . . ?
C2L C3L H3L 119.5 . . ?
C3L C4L C5L 119.3(7) . . ?
C3L C4L H4L 120.3 . . ?
C5L C4L H4L 120.3 . . ?
C6L C5L C4L 120.5(7) . . ?
C6L C5L H5L 119.7 . . ?
C4L C5L H5L 119.7 . . ?
C5L C6L C1L 120.5(6) . . ?
C5L C6L H6L 119.8 . . ?
C1L C6L H6L 119.8 . . ?
C1O P5 C1N 103.4(3) . . ?
C1O P5 C1M 103.1(3) . . ?
C1N P5 C1M 100.5(3) . . ?
C1O P5 Re3 111.4(2) . . ?
C1N P5 Re3 118.2(2) . . ?
C1M P5 Re3 118.2(2) . . ?
C6M C1M C2M 117.6(6) . . ?
C6M C1M P5 120.8(5) . . ?
C2M C1M P5 121.5(5) . . ?
C1M C2M C3M 120.2(6) . . ?
C1M C2M H2M 119.9 . . ?
C3M C2M H2M 119.9 . . ?
C4M C3M C2M 121.1(7) . . ?
C4M C3M H3M 119.5 . . ?
C2M C3M H3M 119.5 . . ?
C3M C4M C5M 119.2(6) . . ?
C3M C4M H4M 120.4 . . ?
C5M C4M H4M 120.4 . . ?
C4M C5M C6M 119.9(7) . . ?
C4M C5M H5M 120.0 . . ?
C6M C5M H5M 120.0 . . ?
C5M C6M C1M 122.0(7) . . ?
C5M C6M H6M 119.0 . . ?
C1M C6M H6M 119.0 . . ?
C2N C1N C6N 118.5(7) . . ?
C2N C1N P5 118.7(5) . . ?
C6N C1N P5 122.7(6) . . ?
C1N C2N C3N 120.3(7) . . ?
C1N C2N H2N 119.8 . . ?
C3N C2N H2N 119.8 . . ?
C4N C3N C2N 120.7(8) . . ?
C4N C3N H3N 119.7 . . ?
C2N C3N H3N 119.7 . . ?
C3N C4N C5N 119.3(7) . . ?
C3N C4N H4N 120.4 . . ?
C5N C4N H4N 120.4 . . ?
C6N C5N C4N 120.6(7) . . ?
C6N C5N H5N 119.7 . . ?
C4N C5N H5N 119.7 . . ?
C5N C6N C1N 120.6(7) . . ?
C5N C6N H6N 119.7 . . ?
C1N C6N H6N 119.7 . . ?
C6O C1O C2O 118.5(6) . . ?
C6O C1O P5 121.3(5) . . ?
C2O C1O P5 119.8(5) . . ?
C3O C2O C1O 120.3(7) . . ?
C3O C2O H2O 119.9 . . ?
C1O C2O H2O 119.9 . . ?
C4O C3O C2O 119.7(8) . . ?
C4O C3O H3O 120.1 . . ?
C2O C3O H3O 120.1 . . ?
C3O C4O C5O 120.9(7) . . ?
C3O C4O H4O 119.5 . . ?
C5O C4O H4O 119.5 . . ?
C6O C5O C4O 120.1(7) . . ?
C6O C5O H5O 120.0 . . ?
C4O C5O H5O 120.0 . . ?
C5O C6O C1O 120.5(7) . . ?
C5O C6O H6O 119.8 . . ?
C1O C6O H6O 119.8 . . ?
C1P P6 C1R 102.8(3) . . ?
C1P P6 C1Q 105.2(3) . . ?
C1R P6 C1Q 98.8(3) . . ?
C1P P6 Re3 113.0(2) . . ?
C1R P6 Re3 119.7(2) . . ?
C1Q P6 Re3 115.3(2) . . ?
C6P C1P C2P 118.3(6) . . ?
C6P C1P P6 122.5(6) . . ?
C2P C1P P6 119.0(5) . . ?
C3P C2P C1P 122.1(8) . . ?
C3P C2P H2P 118.9 . . ?
C1P C2P H2P 118.9 . . ?
C2P C3P C4P 118.2(8) . . ?
C2P C3P H3P 120.9 . . ?
C4P C3P H3P 120.9 . . ?
C5P C4P C3P 121.3(7) . . ?
C5P C4P H4P 119.4 . . ?
C3P C4P H4P 119.4 . . ?
C4P C5P C6P 119.9(8) . . ?
C4P C5P H5P 120.1 . . ?
C6P C5P H5P 120.1 . . ?
C1P C6P C5P 120.3(8) . . ?
C1P C6P H6P 119.9 . . ?
C5P C6P H6P 119.9 . . ?
C6Q C1Q C2Q 118.5(6) . . ?
C6Q C1Q P6 117.3(5) . . ?
C2Q C1Q P6 124.1(5) . . ?
C3Q C2Q C1Q 120.3(7) . . ?
C3Q C2Q H2Q 119.8 . . ?
C1Q C2Q H2Q 119.8 . . ?
C4Q C3Q C2Q 120.3(7) . . ?
C4Q C3Q H3Q 119.8 . . ?
C2Q C3Q H3Q 119.8 . . ?
C3Q C4Q C5Q 120.4(7) . . ?
C3Q C4Q H4Q 119.8 . . ?
C5Q C4Q H4Q 119.8 . . ?
C6Q C5Q C4Q 119.3(7) . . ?
C6Q C5Q H5Q 120.4 . . ?
C4Q C5Q H5Q 120.4 . . ?
C5Q C6Q C1Q 121.0(6) . . ?
C5Q C6Q H6Q 119.5 . . ?
C1Q C6Q H6Q 119.5 . . ?
C2R C1R C6R 117.6(6) . . ?
C2R C1R P6 123.6(5) . . ?
C6R C1R P6 118.8(5) . . ?
C3R C2R C1R 120.8(7) . . ?
C3R C2R H2R 119.6 . . ?
C1R C2R H2R 119.6 . . ?
C4R C3R C2R 120.8(7) . . ?
C4R C3R H3R 119.6 . . ?
C2R C3R H3R 119.6 . . ?
C3R C4R C5R 119.2(7) . . ?
C3R C4R H4R 120.4 . . ?
C5R C4R H4R 120.4 . . ?
C6R C5R C4R 120.5(7) . . ?
C6R C5R H5R 119.7 . . ?
C4R C5R H5R 119.7 . . ?
C5R C6R C1R 121.1(7) . . ?
C5R C6R H6R 119.5 . . ?
C1R C6R H6R 119.5 . . ?
C1S P7 C1T 103.3(3) . . ?
C1S P7 C1U 102.7(3) . . ?
C1T P7 C1U 98.1(3) . . ?
C1S P7 Re4 113.3(2) . . ?
C1T P7 Re4 118.7(2) . . ?
C1U P7 Re4 118.1(2) . . ?
C2S C1S C6S 118.7(7) . . ?
C2S C1S P7 119.9(6) . . ?
C6S C1S P7 121.1(5) . . ?
C1S C2S C3S 120.8(8) . . ?
C1S C2S H2S 119.6 . . ?
C3S C2S H2S 119.6 . . ?
C2S C3S C4S 119.8(7) . . ?
C2S C3S H3S 120.1 . . ?
C4S C3S H3S 120.1 . . ?
C5S C4S C3S 120.2(8) . . ?
C5S C4S H4S 119.9 . . ?
C3S C4S H4S 119.9 . . ?
C4S C5S C6S 119.0(7) . . ?
C4S C5S H5S 120.5 . . ?
C6S C5S H5S 120.5 . . ?
C5S C6S C1S 121.3(7) . . ?
C5S C6S H6S 119.4 . . ?
C1S C6S H6S 119.4 . . ?
C2T C1T C6T 118.5(6) . . ?
C2T C1T P7 120.3(5) . . ?
C6T C1T P7 121.1(5) . . ?
C3T C2T C1T 120.8(7) . . ?
C3T C2T H2T 119.6 . . ?
C1T C2T H2T 119.6 . . ?
C4T C3T C2T 119.7(7) . . ?
C4T C3T H3T 120.1 . . ?
C2T C3T H3T 120.1 . . ?
C3T C4T C5T 120.6(7) . . ?
C3T C4T H4T 119.7 . . ?
C5T C4T H4T 119.7 . . ?
C6T C5T C4T 118.8(7) . . ?
C6T C5T H5T 120.6 . . ?
C4T C5T H5T 120.6 . . ?
C5T C6T C1T 121.5(7) . . ?
C5T C6T H6T 119.2 . . ?
C1T C6T H6T 119.2 . . ?
C6U C1U C2U 118.2(7) . . ?
C6U C1U P7 119.7(6) . . ?
C2U C1U P7 121.7(6) . . ?
C3U C2U C1U 121.3(8) . . ?
C3U C2U H2U 119.4 . . ?
C1U C2U H2U 119.4 . . ?
C2U C3U C4U 120.3(8) . . ?
C2U C3U H3U 119.9 . . ?
C4U C3U H3U 119.9 . . ?
C3U C4U C5U 119.4(8) . . ?
C3U C4U H4U 120.3 . . ?
C5U C4U H4U 120.3 . . ?
C6U C5U C4U 119.5(8) . . ?
C6U C5U H5U 120.2 . . ?
C4U C5U H5U 120.2 . . ?
C1U C6U C5U 121.1(8) . . ?
C1U C6U H6U 119.4 . . ?
C5U C6U H6U 119.4 . . ?
C1V P8 C1W 102.4(3) . . ?
C1V P8 C1Z 104.0(3) . . ?
C1W P8 C1Z 98.2(3) . . ?
C1V P8 Re4 112.7(2) . . ?
C1W P8 Re4 119.2(2) . . ?
C1Z P8 Re4 117.9(2) . . ?
C6V C1V C2V 117.7(7) . . ?
C6V C1V P8 119.9(6) . . ?
C2V C1V P8 122.1(5) . . ?
C3V C2V C1V 120.7(7) . . ?
C3V C2V H2V 119.7 . . ?
C1V C2V H2V 119.7 . . ?
C2V C3V C4V 121.3(8) . . ?
C2V C3V H3V 119.4 . . ?
C4V C3V H3V 119.4 . . ?
C5V C4V C3V 118.7(7) . . ?
C5V C4V H4V 120.6 . . ?
C3V C4V H4V 120.6 . . ?
C6V C5V C4V 120.2(7) . . ?
C6V C5V H5V 119.9 . . ?
C4V C5V H5V 119.9 . . ?
C5V C6V C1V 121.2(8) . . ?
C5V C6V H6V 119.4 . . ?
C1V C6V H6V 119.4 . . ?
C2W C1W C6W 117.9(7) . . ?
C2W C1W P8 125.4(6) . . ?
C6W C1W P8 116.6(6) . . ?
C3W C2W C1W 120.6(8) . . ?
C3W C2W H2W 119.7 . . ?
C1W C2W H2W 119.7 . . ?
C4W C3W C2W 119.7(8) . . ?
C4W C3W H3W 120.1 . . ?
C2W C3W H3W 120.1 . . ?
C3W C4W C5W 121.0(8) . . ?
C3W C4W H4W 119.5 . . ?
C5W C4W H4W 119.5 . . ?
C6W C5W C4W 119.5(8) . . ?
C6W C5W H5W 120.2 . . ?
C4W C5W H5W 120.2 . . ?
C5W C6W C1W 121.1(8) . . ?
C5W C6W H6W 119.4 . . ?
C1W C6W H6W 119.4 . . ?
C2Z C1Z C6Z 119.5(7) . . ?
C2Z C1Z P8 118.1(5) . . ?
C6Z C1Z P8 122.3(5) . . ?
C3Z C2Z C1Z 120.7(8) . . ?
C3Z C2Z H2Z 119.6 . . ?
C1Z C2Z H2Z 119.6 . . ?
C2Z C3Z C4Z 119.4(8) . . ?
C2Z C3Z H3Z 120.3 . . ?
C4Z C3Z H3Z 120.3 . . ?
C5Z C4Z C3Z 120.1(8) . . ?
C5Z C4Z H4Z 119.9 . . ?
C3Z C4Z H4Z 119.9 . . ?
C4Z C5Z C6Z 120.5(8) . . ?
C4Z C5Z H5Z 119.8 . . ?
C6Z C5Z H5Z 119.8 . . ?
C5Z C6Z C1Z 119.7(7) . . ?
C5Z C6Z H6Z 120.1 . . ?
C1Z C6Z H6Z 120.1 . . ?
C11 C21 H21A 109.5 . . ?
C11 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C11 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N11 C11 C21 173(3) . . ?
N12 C12 C22 146(4) . . ?
C12 C22 H22A 114.4 . . ?
C12 C22 H22B 104.1 . . ?
H22A C22 H22B 109.5 . . ?
C12 C22 H22C 109.8 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N13 C13 C23 156(6) . . ?
C13 C23 H23A 105.7 . . ?
C13 C23 H23B 109.1 . . ?
H23A C23 H23B 109.5 . . ?
C13 C23 H23C 113.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O1W O3W H23C 100.0 . . ?

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
C1C P1 C1A C6A 9.5(6) . . . . ?
C1B P1 C1A C6A 111.7(6) . . . . ?
C1C P1 C1A C2A -174.7(5) . . . . ?
C1B P1 C1A C2A -72.6(6) . . . . ?
C6A C1A C2A C3A -2.0(10) . . . . ?
P1 C1A C2A C3A -177.9(5) . . . . ?
C1A C2A C3A C4A 2.4(10) . . . . ?
C2A C3A C4A C5A -1.8(11) . . . . ?
C3A C4A C5A C6A 0.6(11) . . . . ?
C4A C5A C6A C1A -0.2(11) . . . . ?
C2A C1A C6A C5A 0.9(10) . . . . ?
P1 C1A C6A C5A 176.6(5) . . . . ?
C1C P1 C1B C6B 132.2(6) . . . . ?
C1A P1 C1B C6B 26.8(7) . . . . ?
C1C P1 C1B C2B -50.3(6) . . . . ?
C1A P1 C1B C2B -155.6(5) . . . . ?
C6B C1B C2B C3B -3.9(10) . . . . ?
P1 C1B C2B C3B 178.4(6) . . . . ?
C1B C2B C3B C4B 2.7(11) . . . . ?
C2B C3B C4B C5B -0.2(11) . . . . ?
C3B C4B C5B C6B -0.9(12) . . . . ?
C4B C5B C6B C1B -0.4(12) . . . . ?
C2B C1B C6B C5B 2.7(10) . . . . ?
P1 C1B C6B C5B -179.7(6) . . . . ?
C1A P1 C1C C2C -114.7(6) . . . . ?
C1B P1 C1C C2C 137.9(6) . . . . ?
C1A P1 C1C C6C 66.1(6) . . . . ?
C1B P1 C1C C6C -41.3(6) . . . . ?
C6C C1C C2C C3C -2.3(10) . . . . ?
P1 C1C C2C C3C 178.6(5) . . . . ?
C1C C2C C3C C4C 1.2(11) . . . . ?
C2C C3C C4C C5C -0.3(12) . . . . ?
C3C C4C C5C C6C 0.6(12) . . . . ?
C4C C5C C6C C1C -1.8(11) . . . . ?
C2C C1C C6C C5C 2.7(10) . . . . ?
P1 C1C C6C C5C -178.2(6) . . . . ?
C1F P2 C1D C6D -40.3(7) . . . . ?
C1E P2 C1D C6D 65.2(7) . . . . ?
C1F P2 C1D C2D 152.0(6) . . . . ?
C1E P2 C1D C2D -102.4(6) . . . . ?
C6D C1D C2D C3D -0.6(11) . . . . ?
P2 C1D C2D C3D 167.4(6) . . . . ?
C1D C2D C3D C4D 2.1(12) . . . . ?
C2D C3D C4D C5D -1.1(12) . . . . ?
C3D C4D C5D C6D -1.5(12) . . . . ?
C2D C1D C6D C5D -2.0(12) . . . . ?
P2 C1D C6D C5D -169.9(6) . . . . ?
C4D C5D C6D C1D 3.1(12) . . . . ?
C1D P2 C1E C2E 79.7(6) . . . . ?
C1F P2 C1E C2E -170.6(6) . . . . ?
C1D P2 C1E C6E -98.2(7) . . . . ?
C1F P2 C1E C6E 11.4(7) . . . . ?
C6E C1E C2E C3E -1.7(11) . . . . ?
P2 C1E C2E C3E -179.7(6) . . . . ?
C1E C2E C3E C4E -2.5(12) . . . . ?
C2E C3E C4E C5E 5.6(13) . . . . ?
C3E C4E C5E C6E -4.6(14) . . . . ?
C4E C5E C6E C1E 0.5(14) . . . . ?
C2E C1E C6E C5E 2.6(12) . . . . ?
P2 C1E C6E C5E -179.5(7) . . . . ?
C1D P2 C1F C6F -34.1(7) . . . . ?
C1E P2 C1F C6F -135.7(6) . . . . ?
C1D P2 C1F C2F 154.4(6) . . . . ?
C1E P2 C1F C2F 52.9(6) . . . . ?
C6F C1F C2F C3F 3.5(11) . . . . ?
P2 C1F C2F C3F 175.3(6) . . . . ?
C1F C2F C3F C4F -2.9(11) . . . . ?
C2F C3F C4F C5F 0.4(12) . . . . ?
C3F C4F C5F C6F 1.5(13) . . . . ?
C2F C1F C6F C5F -1.6(11) . . . . ?
P2 C1F C6F C5F -172.9(6) . . . . ?
C4F C5F C6F C1F -1.0(13) . . . . ?
C1I P3 C1G C6G 28.0(6) . . . . ?
C1H P3 C1G C6G -78.8(6) . . . . ?
C1I P3 C1G C2G -155.5(5) . . . . ?
C1H P3 C1G C2G 97.7(5) . . . . ?
C6G C1G C2G C3G 1.6(9) . . . . ?
P3 C1G C2G C3G -175.0(5) . . . . ?
C1G C2G C3G C4G -0.1(10) . . . . ?
C2G C3G C4G C5G -1.9(10) . . . . ?
C3G C4G C5G C6G 2.2(11) . . . . ?
C4G C5G C6G C1G -0.5(11) . . . . ?
C2G C1G C6G C5G -1.3(10) . . . . ?
P3 C1G C6G C5G 175.2(5) . . . . ?
C1I P3 C1H C2H 142.6(6) . . . . ?
C1G P3 C1H C2H -110.1(6) . . . . ?
C1I P3 C1H C6H -41.7(7) . . . . ?
C1G P3 C1H C6H 65.6(7) . . . . ?
C6H C1H C2H C3H -0.9(11) . . . . ?
P3 C1H C2H C3H 174.9(6) . . . . ?
C1H C2H C3H C4H 0.9(12) . . . . ?
C2H C3H C4H C5H 0.4(14) . . . . ?
C3H C4H C5H C6H -1.7(15) . . . . ?
C4H C5H C6H C1H 1.8(14) . . . . ?
C2H C1H C6H C5H -0.4(12) . . . . ?
P3 C1H C6H C5H -176.2(7) . . . . ?
C1H P3 C1I C2I 147.3(6) . . . . ?
C1G P3 C1I C2I 43.3(7) . . . . ?
C1H P3 C1I C6I -43.9(6) . . . . ?
C1G P3 C1I C6I -147.9(5) . . . . ?
C6I C1I C2I C3I 3.5(11) . . . . ?
P3 C1I C2I C3I 172.4(6) . . . . ?
C1I C2I C3I C4I -3.0(13) . . . . ?
C2I C3I C4I C5I 2.1(15) . . . . ?
C3I C4I C5I C6I -1.8(14) . . . . ?
C4I C5I C6I C1I 2.4(13) . . . . ?
C2I C1I C6I C5I -3.1(11) . . . . ?
P3 C1I C6I C5I -172.4(6) . . . . ?
C1L P4 C1J C2J -138.4(6) . . . . ?
C1K P4 C1J C2J 113.1(6) . . . . ?
C1L P4 C1J C6J 42.2(7) . . . . ?
C1K P4 C1J C6J -66.3(7) . . . . ?
C6J C1J C2J C3J -2.0(11) . . . . ?
P4 C1J C2J C3J 178.6(5) . . . . ?
C1J C2J C3J C4J -0.3(11) . . . . ?
C2J C3J C4J C5J 2.1(12) . . . . ?
C3J C4J C5J C6J -1.5(13) . . . . ?
C4J C5J C6J C1J -0.8(14) . . . . ?
C2J C1J C6J C5J 2.6(12) . . . . ?
P4 C1J C6J C5J -178.0(7) . . . . ?
C1L P4 C1K C6K -16.2(8) . . . . ?
C1J P4 C1K C6K 89.9(7) . . . . ?
C1L P4 C1K C2K 163.2(6) . . . . ?
C1J P4 C1K C2K -90.7(6) . . . . ?
C6K C1K C2K C3K 0.3(13) . . . . ?
P4 C1K C2K C3K -179.2(7) . . . . ?
C1K C2K C3K C4K 0.2(15) . . . . ?
C2K C3K C4K C5K 0.9(16) . . . . ?
C3K C4K C5K C6K -2.6(17) . . . . ?
C2K C1K C6K C5K -1.8(12) . . . . ?
P4 C1K C6K C5K 177.6(7) . . . . ?
C4K C5K C6K C1K 3.1(15) . . . . ?
C1K P4 C1L C6L -45.5(6) . . . . ?
C1J P4 C1L C6L -151.5(6) . . . . ?
C1K P4 C1L C2L 141.1(6) . . . . ?
C1J P4 C1L C2L 35.1(6) . . . . ?
C6L C1L C2L C3L 1.5(10) . . . . ?
P4 C1L C2L C3L 175.1(6) . . . . ?
C1L C2L C3L C4L -0.2(12) . . . . ?
C2L C3L C4L C5L -1.6(12) . . . . ?
C3L C4L C5L C6L 2.1(11) . . . . ?
C4L C5L C6L C1L -0.8(10) . . . . ?
C2L C1L C6L C5L -1.0(10) . . . . ?
P4 C1L C6L C5L -174.5(5) . . . . ?
C1O P5 C1M C6M 40.2(7) . . . . ?
C1N P5 C1M C6M -66.4(6) . . . . ?
C1O P5 C1M C2M -143.2(6) . . . . ?
C1N P5 C1M C2M 110.2(6) . . . . ?
C6M C1M C2M C3M 0.2(11) . . . . ?
P5 C1M C2M C3M -176.5(6) . . . . ?
C1M C2M C3M C4M -0.1(12) . . . . ?
C2M C3M C4M C5M 0.9(12) . . . . ?
C3M C4M C5M C6M -1.9(12) . . . . ?
C4M C5M C6M C1M 2.1(12) . . . . ?
C2M C1M C6M C5M -1.2(11) . . . . ?
P5 C1M C6M C5M 175.5(6) . . . . ?
C1O P5 C1N C2N 152.2(5) . . . . ?
C1M P5 C1N C2N -101.5(5) . . . . ?
C1O P5 C1N C6N -32.6(6) . . . . ?
C1M P5 C1N C6N 73.7(6) . . . . ?
C6N C1N C2N C3N 2.6(10) . . . . ?
P5 C1N C2N C3N 177.9(5) . . . . ?
C1N C2N C3N C4N -2.1(11) . . . . ?
C2N C3N C4N C5N 0.6(11) . . . . ?
C3N C4N C5N C6N 0.3(11) . . . . ?
C4N C5N C6N C1N 0.3(11) . . . . ?
C2N C1N C6N C5N -1.7(10) . . . . ?
P5 C1N C6N C5N -176.9(5) . . . . ?
C1N P5 C1O C6O -39.0(6) . . . . ?
C1M P5 C1O C6O -143.4(5) . . . . ?
C1N P5 C1O C2O 149.1(5) . . . . ?
C1M P5 C1O C2O 44.7(6) . . . . ?
C6O C1O C2O C3O 1.5(10) . . . . ?
P5 C1O C2O C3O 173.6(6) . . . . ?
C1O C2O C3O C4O -0.8(11) . . . . ?
C2O C3O C4O C5O -0.1(13) . . . . ?
C3O C4O C5O C6O 0.3(13) . . . . ?
C4O C5O C6O C1O 0.4(12) . . . . ?
C2O C1O C6O C5O -1.3(10) . . . . ?
P5 C1O C6O C5O -173.3(6) . . . . ?
C1R P6 C1P C6P -15.4(6) . . . . ?
C1Q P6 C1P C6P -118.3(6) . . . . ?
C1R P6 C1P C2P 170.0(5) . . . . ?
C1Q P6 C1P C2P 67.1(6) . . . . ?
C6P C1P C2P C3P 0.2(10) . . . . ?
P6 C1P C2P C3P 175.0(6) . . . . ?
C1P C2P C3P C4P -0.6(11) . . . . ?
C2P C3P C4P C5P -0.2(12) . . . . ?
C3P C4P C5P C6P 1.6(13) . . . . ?
C2P C1P C6P C5P 1.2(10) . . . . ?
P6 C1P C6P C5P -173.5(6) . . . . ?
C4P C5P C6P C1P -2.1(12) . . . . ?
C1P P6 C1Q C6Q 174.0(5) . . . . ?
C1R P6 C1Q C6Q 68.0(6) . . . . ?
C1P P6 C1Q C2Q -5.1(7) . . . . ?
C1R P6 C1Q C2Q -111.1(6) . . . . ?
C6Q C1Q C2Q C3Q -0.7(10) . . . . ?
P6 C1Q C2Q C3Q 178.4(6) . . . . ?
C1Q C2Q C3Q C4Q -1.1(12) . . . . ?
C2Q C3Q C4Q C5Q 0.9(12) . . . . ?
C3Q C4Q C5Q C6Q 1.1(12) . . . . ?
C4Q C5Q C6Q C1Q -2.9(11) . . . . ?
C2Q C1Q C6Q C5Q 2.7(10) . . . . ?
P6 C1Q C6Q C5Q -176.5(6) . . . . ?
C1P P6 C1R C2R 118.9(6) . . . . ?
C1Q P6 C1R C2R -133.2(6) . . . . ?
C1P P6 C1R C6R -62.4(6) . . . . ?
C1Q P6 C1R C6R 45.5(6) . . . . ?
C6R C1R C2R C3R 0.9(10) . . . . ?
P6 C1R C2R C3R 179.7(5) . . . . ?
C1R C2R C3R C4R -0.4(10) . . . . ?
C2R C3R C4R C5R 0.3(12) . . . . ?
C3R C4R C5R C6R -0.9(13) . . . . ?
C4R C5R C6R C1R 1.5(13) . . . . ?
C2R C1R C6R C5R -1.5(11) . . . . ?
P6 C1R C6R C5R 179.7(6) . . . . ?
C1T P7 C1S C2S -147.1(6) . . . . ?
C1U P7 C1S C2S -45.4(7) . . . . ?
C1T P7 C1S C6S 39.6(7) . . . . ?
C1U P7 C1S C6S 141.3(6) . . . . ?
C6S C1S C2S C3S -3.2(12) . . . . ?
P7 C1S C2S C3S -176.7(6) . . . . ?
C1S C2S C3S C4S -0.5(13) . . . . ?
C2S C3S C4S C5S 4.0(13) . . . . ?
C3S C4S C5S C6S -3.6(12) . . . . ?
C4S C5S C6S C1S -0.2(11) . . . . ?
C2S C1S C6S C5S 3.6(11) . . . . ?
P7 C1S C6S C5S 177.0(5) . . . . ?
C1S P7 C1T C2T -151.3(6) . . . . ?
C1U P7 C1T C2T 103.5(6) . . . . ?
C1S P7 C1T C6T 33.2(7) . . . . ?
C1U P7 C1T C6T -72.0(6) . . . . ?
C6T C1T C2T C3T 0.1(11) . . . . ?
P7 C1T C2T C3T -175.5(6) . . . . ?
C1T C2T C3T C4T -0.9(12) . . . . ?
C2T C3T C4T C5T 0.5(12) . . . . ?
C3T C4T C5T C6T 0.7(12) . . . . ?
C4T C5T C6T C1T -1.6(12) . . . . ?
C2T C1T C6T C5T 1.2(11) . . . . ?
P7 C1T C6T C5T 176.7(6) . . . . ?
C1S P7 C1U C6U 159.3(6) . . . . ?
C1T P7 C1U C6U -95.0(6) . . . . ?
C1S P7 C1U C2U -28.0(7) . . . . ?
C1T P7 C1U C2U 77.7(6) . . . . ?
C6U C1U C2U C3U 0.4(11) . . . . ?
P7 C1U C2U C3U -172.4(6) . . . . ?
C1U C2U C3U C4U 2.7(13) . . . . ?
C2U C3U C4U C5U -2.7(13) . . . . ?
C3U C4U C5U C6U -0.3(14) . . . . ?
C2U C1U C6U C5U -3.5(12) . . . . ?
P7 C1U C6U C5U 169.5(7) . . . . ?
C4U C5U C6U C1U 3.4(13) . . . . ?
C1W P8 C1V C6V -56.2(7) . . . . ?
C1Z P8 C1V C6V -158.0(6) . . . . ?
C1W P8 C1V C2V 130.0(6) . . . . ?
C1Z P8 C1V C2V 28.2(7) . . . . ?
C6V C1V C2V C3V 2.2(10) . . . . ?
P8 C1V C2V C3V 176.1(6) . . . . ?
C1V C2V C3V C4V 1.2(11) . . . . ?
C2V C3V C4V C5V -3.4(12) . . . . ?
C3V C4V C5V C6V 2.1(12) . . . . ?
C4V C5V C6V C1V 1.3(12) . . . . ?
C2V C1V C6V C5V -3.4(11) . . . . ?
P8 C1V C6V C5V -177.5(6) . . . . ?
C1V P8 C1W C2W -5.0(7) . . . . ?
C1Z P8 C1W C2W 101.4(7) . . . . ?
C1V P8 C1W C6W 179.5(5) . . . . ?
C1Z P8 C1W C6W -74.1(6) . . . . ?
C6W C1W C2W C3W 1.4(11) . . . . ?
P8 C1W C2W C3W -174.0(6) . . . . ?
C1W C2W C3W C4W 1.4(12) . . . . ?
C2W C3W C4W C5W -1.9(12) . . . . ?
C3W C4W C5W C6W -0.3(12) . . . . ?
C4W C5W C6W C1W 3.2(12) . . . . ?
C2W C1W C6W C5W -3.7(11) . . . . ?
P8 C1W C6W C5W 172.1(6) . . . . ?
C1V P8 C1Z C2Z 49.0(7) . . . . ?
C1W P8 C1Z C2Z -56.0(7) . . . . ?
C1V P8 C1Z C6Z -135.2(6) . . . . ?
C1W P8 C1Z C6Z 119.7(6) . . . . ?
C6Z C1Z C2Z C3Z 2.1(12) . . . . ?
P8 C1Z C2Z C3Z 178.0(7) . . . . ?
C1Z C2Z C3Z C4Z -1.1(14) . . . . ?
C2Z C3Z C4Z C5Z -0.2(14) . . . . ?
C3Z C4Z C5Z C6Z 0.3(13) . . . . ?
C4Z C5Z C6Z C1Z 0.8(12) . . . . ?
C2Z C1Z C6Z C5Z -2.0(11) . . . . ?
P8 C1Z C6Z C5Z -177.7(6) . . . . ?

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
C6B H6B O8 0.95 2.58 3.296(9) 132.6 1_565
C6Z H6Z O8 0.95 2.60 3.200(9) 121.0 .
C23 H23C O1W 0.98 1.94 2.86(6) 156.1 .
C4D H4D O8 0.95 2.50 3.109(9) 122.2 1_465
C4J H4J O3 0.95 2.54 3.364(9) 145.6 2_766
C5I H5I O3 0.95 2.51 3.256(11) 135.1 2_666

_refine_diff_density_max         3.12
_refine_diff_density_min         -1.81
_refine_diff_density_rms         0.195

####################################################################### 
# 
# 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_b2484a
_database_code_depnum_ccdc_archive 'CCDC 1531342'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'(C160 H120 Ag4 N8 O8 P8 Re4), 5(C H4 O), 0.75(H2 O)'
_chemical_formula_sum            'C165 H141.50 Ag4 N8 O13.75 P8 Re4'
_chemical_formula_weight         3880.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.252(3)
_cell_length_b                   18.571(5)
_cell_length_c                   35.873(10)
_cell_angle_alpha                83.68(3)
_cell_angle_beta                 88.96(3)
_cell_angle_gamma                72.12(3)
_cell_volume                     7720(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    40342
_cell_measurement_theta_min      2
_cell_measurement_theta_max      59

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_F_000             3811
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    3.765
_shelx_estimated_absorpt_T_min   0.441
_shelx_estimated_absorpt_T_max   0.705
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.377
_exptl_absorpt_correction_T_max  0.735
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Kuma KM-4-CCD κ-geometry'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            61817
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.815
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             28614
_reflns_number_gt                25160
_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       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0569P)²+16.2569P] 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         28614
_refine_ls_number_parameters     1841
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_ref         0.1046
_refine_ls_wR_factor_gt          0.0990
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_restrained_S_all      0.971
_refine_ls_shift/su_max          0.002
_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
Re1 Re 0.64788(2) 0.86441(2) 0.13107(2) 0.01297(5) Uani 1 1 d . . . . .
C1 C 0.6443(4) 0.8912(3) 0.07699(14) 0.0166(11) Uani 1 1 d . . . . .
O1 O 0.6425(3) 0.9091(2) 0.04508(9) 0.0225(8) Uani 1 1 d . . . . .
C2 C 0.5846(4) 0.9707(3) 0.14007(15) 0.0224(12) Uani 1 1 d . . . . .
O2 O 0.5472(4) 1.0327(2) 0.14644(13) 0.0362(10) Uani 1 1 d . . . . .
Re2 Re 0.62631(2) 0.69234(2) 0.41683(2) 0.01299(5) Uani 1 1 d . . . . .
C3 C 0.6456(4) 0.6622(3) 0.47028(14) 0.0175(11) Uani 1 1 d . . . . .
O3 O 0.6571(3) 0.6435(2) 0.50202(10) 0.0304(9) Uani 1 1 d . . . . .
C4 C 0.5776(4) 0.8000(3) 0.42323(14) 0.0187(11) Uani 1 1 d . . . . .
O4 O 0.5541(3) 0.8644(2) 0.42616(10) 0.0237(8) Uani 1 1 d . . . . .
Re3 Re 0.83017(2) 0.12077(2) 0.36268(2) 0.01338(5) Uani 1 1 d . . . . .
C5 C 0.8472(5) 0.0855(3) 0.41616(16) 0.0216(12) Uani 1 1 d . . . . .
O5 O 0.8586(3) 0.0668(2) 0.44784(10) 0.0289(9) Uani 1 1 d . . . . .
C6 C 0.8695(4) 0.0184(3) 0.34890(15) 0.0231(12) Uani 1 1 d . . . . .
O6 O 0.8922(3) -0.0435(2) 0.34107(12) 0.0324(10) Uani 1 1 d . . . . .
Re4 Re 0.81384(2) 0.30393(2) 0.07888(2) 0.01331(5) Uani 1 1 d . . . . .
C7 C 0.7991(4) 0.3205(3) 0.02445(15) 0.0187(11) Uani 1 1 d . . . . .
O7 O 0.7942(3) 0.3304(2) -0.00775(10) 0.0270(9) Uani 1 1 d . . . . .
C8 C 0.8746(4) 0.1954(3) 0.07730(13) 0.0177(11) Uani 1 1 d . . . . .
O8 O 0.9074(3) 0.1300(2) 0.07574(10) 0.0233(8) Uani 1 1 d . . . . .
Ag1 Ag 0.63550(4) 0.77160(3) 0.27398(2) 0.02610(10) Uani 1 1 d . . . . .
N1 N 0.6640(4) 0.8156(3) 0.22085(12) 0.0266(11) Uani 1 1 d . . . . .
C10 C 0.6583(4) 0.8331(3) 0.18918(14) 0.0163(11) Uani 1 1 d . . . . .
N2 N 0.5983(4) 0.7299(3) 0.32642(12) 0.0249(10) Uani 1 1 d . . . . .
C20 C 0.6070(4) 0.7173(3) 0.35829(14) 0.0175(11) Uani 1 1 d . . . . .
Ag2 Ag 0.74007(4) 0.40417(2) 0.39343(2) 0.02778(10) Uani 1 1 d . . . . .
N3 N 0.7562(4) 0.2942(3) 0.38550(12) 0.0229(10) Uani 1 1 d . . . . .
C30 C 0.7815(4) 0.2326(3) 0.37783(14) 0.0183(11) Uani 1 1 d . . . . .
N4 N 0.7201(4) 0.5158(3) 0.39917(15) 0.0329(12) Uani 1 1 d . . . . .
C40 C 0.6870(4) 0.5781(3) 0.40560(15) 0.0219(12) Uani 1 1 d . . . . .
Ag3 Ag 0.82088(4) 0.25547(3) 0.22461(2) 0.02667(10) Uani 1 1 d . . . . .
N5 N 0.8485(4) 0.2864(3) 0.16936(12) 0.0255(10) Uani 1 1 d . . . . .
C50 C 0.8356(5) 0.2918(3) 0.13751(14) 0.0196(11) Uani 1 1 d . . . . .
N6 N 0.8112(4) 0.2043(3) 0.27747(13) 0.0260(11) Uani 1 1 d . . . . .
C60 C 0.8169(4) 0.1727(3) 0.30700(14) 0.0193(11) Uani 1 1 d . . . . .
Ag4 Ag 0.70502(4) 0.58599(2) 0.10308(2) 0.02557(10) Uani 1 1 d . . . . .
N7 N 0.7141(4) 0.6844(2) 0.12166(12) 0.0218(10) Uani 1 1 d . . . . .
C70 C 0.6987(4) 0.7474(3) 0.12487(13) 0.0177(11) Uani 1 1 d . . . . .
N8 N 0.6999(4) 0.4852(3) 0.08639(14) 0.0279(11) Uani 1 1 d . . . . .
C80 C 0.7395(4) 0.4211(3) 0.08313(14) 0.0200(11) Uani 1 1 d . . . . .
P1 P 0.84105(11) 0.86983(7) 0.13908(3) 0.0135(3) Uani 1 1 d . . . . .
C1A C 0.9195(4) 0.8793(3) 0.09568(13) 0.0162(10) Uani 1 1 d . . . . .
C2A C 0.8701(5) 0.9379(3) 0.06791(14) 0.0199(11) Uani 1 1 d . . . . .
H2A H 0.7985 0.9742 0.0723 0.024 Uiso 1 1 calc R U . . .
C3A C 0.9237(5) 0.9445(3) 0.03384(15) 0.0240(12) Uani 1 1 d . . . . .
H3A H 0.8890 0.9852 0.0151 0.029 Uiso 1 1 calc R U . . .
C4A C 1.0282(5) 0.8914(3) 0.02708(15) 0.0249(12) Uani 1 1 d . . . . .
H4A H 1.0651 0.8957 0.0038 0.030 Uiso 1 1 calc R U . . .
C5A C 1.0781(5) 0.8324(3) 0.05435(15) 0.0228(12) Uani 1 1 d . . . . .
H5A H 1.1493 0.7961 0.0498 0.027 Uiso 1 1 calc R U . . .
C6A C 1.0242(5) 0.8261(3) 0.08858(15) 0.0220(11) Uani 1 1 d . . . . .
H6A H 1.0589 0.7853 0.1072 0.026 Uiso 1 1 calc R U . . .
C1B C 0.8477(4) 0.9486(3) 0.16449(14) 0.0184(11) Uani 1 1 d . . . . .
C2B C 0.8375(5) 0.9407(3) 0.20390(14) 0.0228(12) Uani 1 1 d . . . . .
H2B H 0.8225 0.8968 0.2161 0.027 Uiso 1 1 calc R U . . .
C3B C 0.8491(5) 0.9956(3) 0.22486(14) 0.0229(12) Uani 1 1 d . . . . .
H3B H 0.8447 0.9883 0.2514 0.027 Uiso 1 1 calc R U . . .
C4B C 0.8670(5) 1.0616(3) 0.20770(15) 0.0243(12) Uani 1 1 d . . . . .
H4B H 0.8752 1.0993 0.2224 0.029 Uiso 1 1 calc R U . . .
C5B C 0.8729(5) 1.0720(3) 0.16913(16) 0.0261(12) Uani 1 1 d . . . . .
H5B H 0.8836 1.1175 0.1572 0.031 Uiso 1 1 calc R U . . .
C6B C 0.8634(4) 1.0164(3) 0.14772(14) 0.0196(11) Uani 1 1 d . . . . .
H6B H 0.8675 1.0245 0.1212 0.024 Uiso 1 1 calc R U . . .
C1C C 0.9478(5) 0.7924(3) 0.16767(13) 0.0190(11) Uani 1 1 d . . . . .
C2C C 0.9346(5) 0.7209(3) 0.17627(14) 0.0228(12) Uani 1 1 d . . . . .
H2C H 0.8676 0.7112 0.1681 0.027 Uiso 1 1 calc R U . . .
C3C C 1.0194(5) 0.6635(3) 0.19677(17) 0.0330(14) Uani 1 1 d . . . . .
H3C H 1.0099 0.6146 0.2025 0.040 Uiso 1 1 calc R U . . .
C4C C 1.1171(5) 0.6766(4) 0.20897(17) 0.0326(14) Uani 1 1 d . . . . .
H4C H 1.1741 0.6371 0.2232 0.039 Uiso 1 1 calc R U . . .
C5C C 1.1314(5) 0.7474(4) 0.20042(16) 0.0335(14) Uani 1 1 d . . . . .
H5C H 1.1989 0.7566 0.2086 0.040 Uiso 1 1 calc R U . . .
C6C C 1.0478(5) 0.8051(3) 0.18000(15) 0.0254(12) Uani 1 1 d . . . . .
H6C H 1.0580 0.8538 0.1743 0.031 Uiso 1 1 calc R U . . .
P2 P 0.45769(11) 0.85078(7) 0.13104(3) 0.0140(3) Uani 1 1 d . . . . .
C1D C 0.3393(4) 0.9298(3) 0.10953(14) 0.0188(11) Uani 1 1 d . . . . .
C2D C 0.3626(5) 0.9810(3) 0.08125(15) 0.0224(12) Uani 1 1 d . . . . .
H2D H 0.4394 0.9810 0.0771 0.027 Uiso 1 1 calc R U . . .
C3D C 0.2740(5) 1.0317(3) 0.05929(15) 0.0238(12) Uani 1 1 d . . . . .
H3D H 0.2906 1.0646 0.0393 0.029 Uiso 1 1 calc R U . . .
C4D C 0.1621(5) 1.0344(3) 0.06634(15) 0.0246(12) Uani 1 1 d . . . . .
H4D H 0.1014 1.0699 0.0516 0.030 Uiso 1 1 calc R U . . .
C5D C 0.1384(5) 0.9853(3) 0.09491(15) 0.0263(12) Uani 1 1 d . . . . .
H5D H 0.0610 0.9879 0.1001 0.032 Uiso 1 1 calc R U . . .
C6D C 0.2261(4) 0.9326(3) 0.11590(15) 0.0237(12) Uani 1 1 d . . . . .
H6D H 0.2089 0.8979 0.1349 0.028 Uiso 1 1 calc R U . . .
C1E C 0.4345(4) 0.7755(3) 0.10574(14) 0.0179(11) Uani 1 1 d . . . . .
C2E C 0.4806(4) 0.7667(3) 0.06984(14) 0.0220(11) Uani 1 1 d . . . . .
H2E H 0.5213 0.7998 0.0592 0.026 Uiso 1 1 calc R U . . .
C3E C 0.4674(5) 0.7102(3) 0.04975(15) 0.0265(13) Uani 1 1 d . . . . .
H3E H 0.5010 0.7043 0.0258 0.032 Uiso 1 1 calc R U . . .
C4E C 0.4072(5) 0.6629(3) 0.06374(16) 0.0298(13) Uani 1 1 d . . . . .
H4E H 0.4008 0.6234 0.0500 0.036 Uiso 1 1 calc R U . . .
C5E C 0.3549(6) 0.6732(4) 0.09851(17) 0.0354(15) Uani 1 1 d . . . . .
H5E H 0.3100 0.6420 0.1081 0.043 Uiso 1 1 calc R U . . .
C6E C 0.3687(5) 0.7293(3) 0.11918(16) 0.0314(14) Uani 1 1 d . . . . .
H6E H 0.3326 0.7361 0.1428 0.038 Uiso 1 1 calc R U . . .
C1F C 0.4130(4) 0.8266(3) 0.17847(14) 0.0198(11) Uani 1 1 d . . . . .
C2F C 0.4599(4) 0.7516(3) 0.19533(14) 0.0214(11) Uani 1 1 d . . . . .
H2F H 0.5074 0.7143 0.1810 0.026 Uiso 1 1 calc R U . . .
C3F C 0.4388(5) 0.7307(3) 0.23238(15) 0.0262(12) Uani 1 1 d . . . . .
H3F H 0.4694 0.6793 0.2430 0.031 Uiso 1 1 calc R U . . .
C4F C 0.3725(5) 0.7852(3) 0.25380(15) 0.0270(13) Uani 1 1 d . . . . .
H4F H 0.3580 0.7717 0.2793 0.032 Uiso 1 1 calc R U . . .
C5F C 0.3276(5) 0.8598(3) 0.23759(15) 0.0282(13) Uani 1 1 d . . . . .
H5F H 0.2822 0.8974 0.2522 0.034 Uiso 1 1 calc R U . . .
C6F C 0.3479(5) 0.8800(3) 0.20057(15) 0.0235(12) Uani 1 1 d . . . . .
H6F H 0.3167 0.9315 0.1901 0.028 Uiso 1 1 calc R U . . .
P3 P 0.43385(11) 0.68263(7) 0.41701(3) 0.0148(3) Uani 1 1 d . . . . .
C1G C 0.3312(4) 0.7414(3) 0.38036(14) 0.0199(11) Uani 1 1 d . . . . .
C2G C 0.3343(5) 0.8147(3) 0.36892(15) 0.0246(12) Uani 1 1 d . . . . .
H2G H 0.3934 0.8313 0.3783 0.029 Uiso 1 1 calc R U . . .
C3G C 0.2528(5) 0.8640(3) 0.34406(16) 0.0297(13) Uani 1 1 d . . . . .
H3G H 0.2566 0.9137 0.3362 0.036 Uiso 1 1 calc R U . . .
C4G C 0.1654(5) 0.8401(4) 0.33068(16) 0.0313(14) Uani 1 1 d . . . . .
H4G H 0.1079 0.8740 0.3142 0.038 Uiso 1 1 calc R U . . .
C5G C 0.1626(5) 0.7672(4) 0.34135(16) 0.0319(14) Uani 1 1 d . . . . .
H5G H 0.1041 0.7504 0.3317 0.038 Uiso 1 1 calc R U . . .
C6G C 0.2442(5) 0.7183(3) 0.36607(15) 0.0246(12) Uani 1 1 d . . . . .
H6G H 0.2409 0.6683 0.3734 0.030 Uiso 1 1 calc R U . . .
C1H C 0.3475(4) 0.7054(3) 0.45853(14) 0.0210(11) Uani 1 1 d . . . . .
C2H C 0.3754(5) 0.7463(3) 0.48496(14) 0.0230(12) Uani 1 1 d . . . . .
H2H H 0.4439 0.7601 0.4824 0.028 Uiso 1 1 calc R U . . .
C3H C 0.3043(5) 0.7673(4) 0.51524(15) 0.0300(13) Uani 1 1 d . . . . .
H3H H 0.3245 0.7955 0.5330 0.036 Uiso 1 1 calc R U . . .
C4H C 0.2052(5) 0.7476(4) 0.51960(16) 0.0372(16) Uani 1 1 d . . . . .
H4H H 0.1571 0.7624 0.5403 0.045 Uiso 1 1 calc R U . . .
C5H C 0.1755(5) 0.7064(4) 0.49388(16) 0.0392(16) Uani 1 1 d . . . . .
H5H H 0.1075 0.6922 0.4969 0.047 Uiso 1 1 calc R U . . .
C6H C 0.2460(5) 0.6857(4) 0.46351(16) 0.0349(15) Uani 1 1 d . . . . .
H6H H 0.2249 0.6578 0.4458 0.042 Uiso 1 1 calc R U . . .
C1I C 0.4364(5) 0.5847(3) 0.41258(16) 0.0241(12) Uani 1 1 d . . . . .
C2I C 0.4436(5) 0.5590(4) 0.37677(18) 0.0337(14) Uani 1 1 d . . . . .
H2I H 0.4367 0.5941 0.3549 0.040 Uiso 1 1 calc R U . . .
C3I C 0.4606(6) 0.4834(4) 0.3734(2) 0.051(2) Uani 1 1 d . . . . .
H3I H 0.4630 0.4667 0.3492 0.061 Uiso 1 1 calc R U . . .
C4I C 0.4740(6) 0.4319(4) 0.4047(3) 0.063(3) Uani 1 1 d . . . . .
H4I H 0.4861 0.3796 0.4022 0.076 Uiso 1 1 calc R U . . .
C5I C 0.4698(6) 0.4565(4) 0.4399(3) 0.055(2) Uani 1 1 d . . . . .
H5I H 0.4798 0.4208 0.4616 0.066 Uiso 1 1 calc R U . . .
C6I C 0.4511(5) 0.5322(3) 0.4436(2) 0.0355(15) Uani 1 1 d . . . . .
H6I H 0.4484 0.5483 0.4679 0.043 Uiso 1 1 calc R U . . .
P4 P 0.82046(11) 0.69682(7) 0.41063(4) 0.0152(3) Uani 1 1 d . . . . .
C1J C 0.9401(4) 0.6102(3) 0.42426(14) 0.0207(11) Uani 1 1 d . . . . .
C2J C 0.9231(5) 0.5495(3) 0.44690(14) 0.0226(12) Uani 1 1 d . . . . .
H2J H 0.8487 0.5521 0.4558 0.027 Uiso 1 1 calc R U . . .
C3J C 1.0155(5) 0.4844(3) 0.45660(15) 0.0274(13) Uani 1 1 d . . . . .
H3J H 1.0034 0.4430 0.4723 0.033 Uiso 1 1 calc R U . . .
C4J C 1.1249(5) 0.4790(3) 0.44369(17) 0.0318(14) Uani 1 1 d . . . . .
H4J H 1.1869 0.4339 0.4499 0.038 Uiso 1 1 calc R U . . .
C5J C 1.1418(5) 0.5396(4) 0.4220(2) 0.0399(16) Uani 1 1 d . . . . .
H5J H 1.2164 0.5371 0.4133 0.048 Uiso 1 1 calc R U . . .
C6J C 1.0511(5) 0.6047(3) 0.41260(19) 0.0360(15) Uani 1 1 d . . . . .
H6J H 1.0648 0.6467 0.3978 0.043 Uiso 1 1 calc R U . . .
C1K C 0.8571(4) 0.7662(3) 0.43679(15) 0.0201(11) Uani 1 1 d . . . . .
C2K C 0.8092(5) 0.7783(4) 0.47220(18) 0.0366(15) Uani 1 1 d . . . . .
H2K H 0.7597 0.7505 0.4820 0.044 Uiso 1 1 calc R U . . .
C3K C 0.8330(6) 0.8303(4) 0.4932(2) 0.0483(19) Uani 1 1 d . . . . .
H3K H 0.7999 0.8369 0.5172 0.058 Uiso 1 1 calc R U . . .
C4K C 0.9015(7) 0.8713(4) 0.4804(2) 0.056(2) Uani 1 1 d . . . . .
H4K H 0.9163 0.9072 0.4949 0.067 Uiso 1 1 calc R U . . .
C5K C 0.9495(8) 0.8601(5) 0.4460(2) 0.067(3) Uani 1 1 d . . . . .
H5K H 0.9987 0.8885 0.4367 0.081 Uiso 1 1 calc R U . . .
C6K C 0.9282(7) 0.8082(4) 0.42419(18) 0.0472(19) Uani 1 1 d . . . . .
H6K H 0.9630 0.8017 0.4004 0.057 Uiso 1 1 calc R U . . .
C1L C 0.8543(4) 0.7213(3) 0.36170(15) 0.0211(11) Uani 1 1 d . . . . .
C2L C 0.9009(5) 0.6638(3) 0.33887(15) 0.0279(13) Uani 1 1 d . . . . .
H2L H 0.9206 0.6120 0.3493 0.033 Uiso 1 1 calc R U . . .
C3L C 0.9187(5) 0.6809(3) 0.30164(16) 0.0331(14) Uani 1 1 d . . . . .
H3L H 0.9498 0.6408 0.2865 0.040 Uiso 1 1 calc R U . . .
C4L C 0.8922(5) 0.7556(3) 0.28574(15) 0.0294(13) Uani 1 1 d . . . . .
H4L H 0.9066 0.7671 0.2600 0.035 Uiso 1 1 calc R U . . .
C5L C 0.8449(5) 0.8129(3) 0.30776(15) 0.0259(12) Uani 1 1 d . . . . .
H5L H 0.8258 0.8644 0.2970 0.031 Uiso 1 1 calc R U . . .
C6L C 0.8243(4) 0.7967(3) 0.34553(15) 0.0214(11) Uani 1 1 d . . . . .
H6L H 0.7898 0.8369 0.3603 0.026 Uiso 1 1 calc R U . . .
P5 P 1.02551(11) 0.12269(7) 0.36053(4) 0.0154(3) Uani 1 1 d . . . . .
C1M C 1.1037(4) 0.1009(3) 0.31694(14) 0.0189(11) Uani 1 1 d . . . . .
C2M C 1.0668(4) 0.0644(3) 0.28985(15) 0.0233(12) Uani 1 1 d . . . . .
H2M H 0.9971 0.0524 0.2932 0.028 Uiso 1 1 calc R U . . .
C3M C 1.1311(5) 0.0456(3) 0.25808(15) 0.0283(13) Uani 1 1 d . . . . .
H3M H 1.1057 0.0205 0.2400 0.034 Uiso 1 1 calc R U . . .
C4M C 1.2322(5) 0.0635(3) 0.25283(16) 0.0305(13) Uani 1 1 d . . . . .
H4M H 1.2757 0.0508 0.2310 0.037 Uiso 1 1 calc R U . . .
C5M C 1.2702(5) 0.0995(3) 0.27887(16) 0.0317(14) Uani 1 1 d . . . . .
H5M H 1.3399 0.1115 0.2753 0.038 Uiso 1 1 calc R U . . .
C6M C 1.2057(5) 0.1181(3) 0.31049(15) 0.0265(13) Uani 1 1 d . . . . .
H6M H 1.2319 0.1435 0.3284 0.032 Uiso 1 1 calc R U . . .
C1N C 1.1300(4) 0.0578(3) 0.39484(14) 0.0197(11) Uani 1 1 d . . . . .
C2N C 1.1123(5) -0.0101(3) 0.40905(17) 0.0311(14) Uani 1 1 d . . . . .
H2N H 1.0461 -0.0216 0.4016 0.037 Uiso 1 1 calc R U . . .
C3N C 1.1911(5) -0.0613(4) 0.43408(18) 0.0392(16) Uani 1 1 d . . . . .
H3N H 1.1774 -0.1072 0.4441 0.047 Uiso 1 1 calc R U . . .
C4N C 1.2896(5) -0.0465(4) 0.44471(16) 0.0323(14) Uani 1 1 d . . . . .
H4N H 1.3435 -0.0820 0.4617 0.039 Uiso 1 1 calc R U . . .
C5N C 1.3082(5) 0.0208(4) 0.43017(16) 0.0313(14) Uani 1 1 d . . . . .
H5N H 1.3752 0.0318 0.4372 0.038 Uiso 1 1 calc R U . . .
C6N C 1.2297(5) 0.0718(3) 0.40543(15) 0.0275(13) Uani 1 1 d . . . . .
H6N H 1.2440 0.1176 0.3954 0.033 Uiso 1 1 calc R U . . .
C1O C 1.0369(4) 0.2162(3) 0.36711(15) 0.0213(11) Uani 1 1 d . . . . .
C2O C 1.0231(5) 0.2729(3) 0.33742(16) 0.0312(14) Uani 1 1 d . . . . .
H2O H 1.0171 0.2610 0.3126 0.037 Uiso 1 1 calc R U . . .
C3O C 1.0179(6) 0.3455(4) 0.34300(18) 0.0394(16) Uani 1 1 d . . . . .
H3O H 1.0080 0.3831 0.3221 0.047 Uiso 1 1 calc R U . . .
C4O C 1.0268(6) 0.3646(4) 0.37865(19) 0.0410(17) Uani 1 1 d . . . . .
H4O H 1.0244 0.4149 0.3825 0.049 Uiso 1 1 calc R U . . .
C5O C 1.0393(6) 0.3087(4) 0.40897(18) 0.0367(15) Uani 1 1 d . . . . .
H5O H 1.0452 0.3212 0.4337 0.044 Uiso 1 1 calc R U . . .
C6O C 1.0431(5) 0.2366(3) 0.40367(16) 0.0273(13) Uani 1 1 d . . . . .
H6O H 1.0500 0.1996 0.4247 0.033 Uiso 1 1 calc R U . . .
P6 P 0.62998(11) 0.12993(7) 0.35946(3) 0.0144(3) Uani 1 1 d . . . . .
C1P C 0.5642(4) 0.1253(3) 0.40544(13) 0.0193(11) Uani 1 1 d . . . . .
C2P C 0.6095(5) 0.0599(3) 0.43081(14) 0.0237(12) Uani 1 1 d . . . . .
H2P H 0.6686 0.0178 0.4232 0.028 Uiso 1 1 calc R U . . .
C3P C 0.5681(5) 0.0569(4) 0.46702(15) 0.0322(14) Uani 1 1 d . . . . .
H3P H 0.5994 0.0126 0.4841 0.039 Uiso 1 1 calc R U . . .
C4P C 0.4822(5) 0.1171(4) 0.47838(16) 0.0338(15) Uani 1 1 d . . . . .
H4P H 0.4537 0.1143 0.5031 0.041 Uiso 1 1 calc R U . . .
C5P C 0.4376(5) 0.1812(4) 0.45391(17) 0.0331(14) Uani 1 1 d . . . . .
H5P H 0.3788 0.2231 0.4618 0.040 Uiso 1 1 calc R U . . .
C6P C 0.4784(5) 0.1853(3) 0.41735(15) 0.0273(13) Uani 1 1 d . . . . .
H6P H 0.4466 0.2299 0.4005 0.033 Uiso 1 1 calc R U . . .
C1Q C 0.5975(4) 0.0564(3) 0.33537(14) 0.0193(11) Uani 1 1 d . . . . .
C2Q C 0.5422(5) 0.0064(3) 0.35189(15) 0.0257(12) Uani 1 1 d . . . . .
H2Q H 0.5237 0.0068 0.3777 0.031 Uiso 1 1 calc R U . . .
C3Q C 0.5135(5) -0.0444(3) 0.33113(17) 0.0298(13) Uani 1 1 d . . . . .
H3Q H 0.4766 -0.0788 0.3429 0.036 Uiso 1 1 calc R U . . .
C4Q C 0.5386(5) -0.0448(3) 0.29324(17) 0.0296(13) Uani 1 1 d . . . . .
H4Q H 0.5175 -0.0785 0.2788 0.036 Uiso 1 1 calc R U . . .
C5Q C 0.5952(5) 0.0047(3) 0.27669(16) 0.0293(13) Uani 1 1 d . . . . .
H5Q H 0.6136 0.0045 0.2509 0.035 Uiso 1 1 calc R U . . .
C6Q C 0.6244(5) 0.0540(3) 0.29760(14) 0.0228(12) Uani 1 1 d . . . . .
H6Q H 0.6637 0.0871 0.2860 0.027 Uiso 1 1 calc R U . . .
C1R C 0.5294(4) 0.2143(3) 0.33383(14) 0.0201(11) Uani 1 1 d . . . . .
C2R C 0.5559(4) 0.2797(3) 0.32082(14) 0.0204(11) Uani 1 1 d . . . . .
H2R H 0.6306 0.2824 0.3254 0.024 Uiso 1 1 calc R U . . .
C3R C 0.4759(5) 0.3416(3) 0.30128(15) 0.0249(12) Uani 1 1 d . . . . .
H3R H 0.4965 0.3857 0.2924 0.030 Uiso 1 1 calc R U . . .
C4R C 0.3648(5) 0.3391(4) 0.29465(17) 0.0346(14) Uani 1 1 d . . . . .
H4R H 0.3093 0.3815 0.2816 0.042 Uiso 1 1 calc R U . . .
C5R C 0.3373(5) 0.2739(3) 0.30739(18) 0.0341(14) Uani 1 1 d . . . . .
H5R H 0.2626 0.2712 0.3027 0.041 Uiso 1 1 calc R U . . .
C6R C 0.4172(5) 0.2126(3) 0.32680(17) 0.0297(13) Uani 1 1 d . . . . .
H6R H 0.3964 0.1686 0.3356 0.036 Uiso 1 1 calc R U . . .
P7 P 1.00170(11) 0.32187(7) 0.07859(3) 0.0145(3) Uani 1 1 d . . . . .
C1S C 0.9947(4) 0.4202(3) 0.08560(14) 0.0201(11) Uani 1 1 d . . . . .
C2S C 0.9903(5) 0.4412(3) 0.12200(16) 0.0256(12) Uani 1 1 d . . . . .
H2S H 0.9941 0.4044 0.1429 0.031 Uiso 1 1 calc R U . . .
C3S C 0.9806(5) 0.5149(4) 0.12756(17) 0.0334(14) Uani 1 1 d . . . . .
H3S H 0.9774 0.5287 0.1524 0.040 Uiso 1 1 calc R U . . .
C4S C 0.9753(5) 0.5696(3) 0.09728(18) 0.0318(14) Uani 1 1 d . . . . .
H4S H 0.9712 0.6201 0.1013 0.038 Uiso 1 1 calc R U . . .
C5S C 0.9761(5) 0.5495(3) 0.06147(17) 0.0269(13) Uani 1 1 d . . . . .
H5S H 0.9702 0.5868 0.0406 0.032 Uiso 1 1 calc R U . . .
C6S C 0.9855(5) 0.4752(3) 0.05569(15) 0.0250(12) Uani 1 1 d . . . . .
H6S H 0.9856 0.4621 0.0308 0.030 Uiso 1 1 calc R U . . .
C1T C 1.0885(4) 0.3040(3) 0.03646(13) 0.0171(11) Uani 1 1 d . . . . .
C2T C 1.0725(4) 0.2540(3) 0.01283(14) 0.0192(11) Uani 1 1 d . . . . .
H2T H 1.0129 0.2314 0.0173 0.023 Uiso 1 1 calc R U . . .
C3T C 1.1443(5) 0.2369(3) -0.01763(15) 0.0239(12) Uani 1 1 d . . . . .
H3T H 1.1336 0.2022 -0.0337 0.029 Uiso 1 1 calc R U . . .
C4T C 1.2301(5) 0.2693(3) -0.02489(15) 0.0244(12) Uani 1 1 d . . . . .
H4T H 1.2774 0.2577 -0.0461 0.029 Uiso 1 1 calc R U . . .
C5T C 1.2476(5) 0.3193(3) -0.00106(15) 0.0255(12) Uani 1 1 d . . . . .
H5T H 1.3070 0.3419 -0.0059 0.031 Uiso 1 1 calc R U . . .
C6T C 1.1786(4) 0.3357(3) 0.02949(15) 0.0209(11) Uani 1 1 d . . . . .
H6T H 1.1917 0.3688 0.0461 0.025 Uiso 1 1 calc R U . . .
C1U C 1.1085(4) 0.2637(3) 0.11420(13) 0.0170(11) Uani 1 1 d . . . . .
C2U C 1.1976(5) 0.2887(3) 0.12593(15) 0.0254(12) Uani 1 1 d . . . . .
H2U H 1.1993 0.3386 0.1174 0.030 Uiso 1 1 calc R U . . .
C3U C 1.2838(5) 0.2408(3) 0.14997(15) 0.0284(13) Uani 1 1 d . . . . .
H3U H 1.3420 0.2590 0.1588 0.034 Uiso 1 1 calc R U . . .
C4U C 1.2849(5) 0.1674(4) 0.16089(16) 0.0323(14) Uani 1 1 d . . . . .
H4U H 1.3453 0.1341 0.1765 0.039 Uiso 1 1 calc R U . . .
C5U C 1.1979(6) 0.1423(4) 0.14904(17) 0.0371(15) Uani 1 1 d . . . . .
H5U H 1.1980 0.0917 0.1568 0.045 Uiso 1 1 calc R U . . .
C6U C 1.1108(5) 0.1900(3) 0.12604(16) 0.0295(13) Uani 1 1 d . . . . .
H6U H 1.0513 0.1718 0.1182 0.035 Uiso 1 1 calc R U . . .
P8 P 0.62351(11) 0.29265(7) 0.08761(4) 0.0149(3) Uani 1 1 d . . . . .
C1V C 0.5938(4) 0.2698(3) 0.13734(14) 0.0195(11) Uani 1 1 d . . . . .
C2V C 0.5985(4) 0.1962(3) 0.15205(15) 0.0214(11) Uani 1 1 d . . . . .
H2V H 0.6134 0.1566 0.1362 0.026 Uiso 1 1 calc R U . . .
C3V C 0.5811(5) 0.1813(3) 0.19015(16) 0.0290(13) Uani 1 1 d . . . . .
H3V H 0.5842 0.1313 0.2002 0.035 Uiso 1 1 calc R U . . .
C4V C 0.5595(5) 0.2380(4) 0.21347(16) 0.0312(14) Uani 1 1 d . . . . .
H4V H 0.5469 0.2271 0.2394 0.037 Uiso 1 1 calc R U . . .
C5V C 0.5562(5) 0.3107(4) 0.19919(16) 0.0308(14) Uani 1 1 d . . . . .
H5V H 0.5420 0.3498 0.2153 0.037 Uiso 1 1 calc R U . . .
C6V C 0.5739(5) 0.3267(3) 0.16110(15) 0.0244(12) Uani 1 1 d . . . . .
H6V H 0.5724 0.3766 0.1513 0.029 Uiso 1 1 calc R U . . .
C1W C 0.4980(4) 0.3742(3) 0.07215(14) 0.0169(10) Uani 1 1 d . . . . .
C2W C 0.4020(5) 0.4027(3) 0.09338(16) 0.0234(12) Uani 1 1 d . . . . .
H2W H 0.4013 0.3830 0.1189 0.028 Uiso 1 1 calc R U . . .
C3W C 0.3069(5) 0.4596(3) 0.07779(17) 0.0298(13) Uani 1 1 d . . . . .
H3W H 0.2425 0.4792 0.0930 0.036 Uiso 1 1 calc R U . . .
C4W C 0.3045(5) 0.4881(3) 0.04051(18) 0.0316(14) Uani 1 1 d . . . . .
H4W H 0.2389 0.5268 0.0300 0.038 Uiso 1 1 calc R U . . .
C5W C 0.3994(5) 0.4594(3) 0.01846(17) 0.0288(13) Uani 1 1 d . . . . .
H5W H 0.3978 0.4774 -0.0074 0.035 Uiso 1 1 calc R U . . .
C6W C 0.4961(5) 0.4045(3) 0.03429(15) 0.0243(12) Uani 1 1 d . . . . .
H6W H 0.5619 0.3870 0.0194 0.029 Uiso 1 1 calc R U . . .
C1Z C 0.5861(5) 0.2200(3) 0.06404(14) 0.0193(11) Uani 1 1 d . . . . .
C2Z C 0.4806(5) 0.2081(3) 0.07161(16) 0.0265(12) Uani 1 1 d . . . . .
H2Z H 0.4309 0.2363 0.0891 0.032 Uiso 1 1 calc R U . . .
C3Z C 0.4480(6) 0.1552(3) 0.05360(18) 0.0360(15) Uani 1 1 d . . . . .
H3Z H 0.3763 0.1472 0.0591 0.043 Uiso 1 1 calc R U . . .
C4Z C 0.5189(6) 0.1144(3) 0.02787(17) 0.0337(15) Uani 1 1 d . . . . .
H4Z H 0.4967 0.0777 0.0159 0.040 Uiso 1 1 calc R U . . .
C5Z C 0.6226(5) 0.1273(3) 0.01962(16) 0.0284(13) Uani 1 1 d . . . . .
H5Z H 0.6712 0.0997 0.0017 0.034 Uiso 1 1 calc R U . . .
C6Z C 0.6562(5) 0.1800(3) 0.03734(15) 0.0238(12) Uani 1 1 d . . . . .
H6Z H 0.7271 0.1889 0.0312 0.029 Uiso 1 1 calc R U . . .
O11 O 0.1469(7) 0.4625(4) 0.2235(2) 0.101(2) Uani 1 1 d D . . A 10
H11 H 0.1436 0.5031 0.2325 0.152 Uiso 1 1 calc R U . A 10
C11 C 0.2322(9) 0.4497(8) 0.1937(3) 0.123(5) Uani 1 1 d D . . A 10
H11A H 0.2220 0.4975 0.1776 0.184 Uiso 1 1 d R U . A 10
H11B H 0.2226 0.4110 0.1787 0.184 Uiso 1 1 d R U . A 10
H11C H 0.3093 0.4324 0.2051 0.184 Uiso 1 1 d R U . A 10
O12 O 0.2344(9) 0.5274(4) 0.2744(2) 0.143(4) Uani 1 1 d D . . B 10
H12 H 0.2915 0.5434 0.2721 0.215 Uiso 1 1 calc R U . B 10
C12 C 0.1982(15) 0.5266(10) 0.3137(4) 0.169(7) Uiso 1 1 d D . . B 10
H12A H 0.2377 0.4769 0.3274 0.253 Uiso 1 1 calc R U . B 10
H12B H 0.1151 0.5356 0.3147 0.253 Uiso 1 1 calc R U . B 10
H12C H 0.2175 0.5666 0.3252 0.253 Uiso 1 1 calc R U . B 10
O13 O 0.0396(9) 0.3553(5) 0.2451(3) 0.126(3) Uani 1 1 d D . . C 10
H13 H 0.0574 0.3922 0.2339 0.189 Uiso 1 1 calc R U . C 10
C13 C 0.0973(9) 0.2867(5) 0.2280(3) 0.091(3) Uiso 1 1 d D . . C 10
H13A H 0.1799 0.2722 0.2332 0.137 Uiso 1 1 calc R U . C 10
H13B H 0.0833 0.2961 0.2008 0.137 Uiso 1 1 calc R U . C 10
H13C H 0.0677 0.2455 0.2384 0.137 Uiso 1 1 calc R U . C 10
O14 O 0.4329(12) 0.5341(6) 0.2657(5) 0.091(5) Uani 0.5 1 d D . P D 1
H14 H 0.5003 0.5169 0.2744 0.136 Uiso 0.5 1 calc R U P D 1
C14 C 0.433(3) 0.525(2) 0.2261(6) 0.177(15) Uiso 0.5 1 d D . P D 1
H14A H 0.3601 0.5564 0.2143 0.266 Uiso 0.5 1 d R U P D 1
H14B H 0.4420 0.4709 0.2242 0.266 Uiso 0.5 1 d R U P D 1
H14C H 0.4965 0.5383 0.2133 0.266 Uiso 0.5 1 d R U P D 1
O15 O 0.5148(16) 0.5061(10) 0.2007(4) 0.132(7) Uani 0.5 1 d D . P E 2
H15 H 0.5806 0.5111 0.2014 0.198 Uiso 0.5 1 calc R U P E 2
C15 C 0.4505(16) 0.5546(10) 0.1689(5) 0.081(6) Uiso 0.5 1 d D . P E 2
H15A H 0.3756 0.5858 0.1769 0.122 Uiso 0.5 1 d R U P E 2
H15B H 0.4395 0.5223 0.1504 0.122 Uiso 0.5 1 d R U P E 2
H15C H 0.4938 0.5877 0.1577 0.122 Uiso 0.5 1 d R U P E 2
O16 O 0.8150(11) 0.4010(6) 0.2426(3) 0.073(4) Uani 0.5 1 d D . P F 3
H16 H 0.7586 0.4207 0.2279 0.110 Uiso 0.5 1 calc R U P F 3
C16 C 0.7745(18) 0.3987(12) 0.2819(4) 0.091(3) Uiso 0.5 1 d D . P F 3
H16A H 0.8362 0.3624 0.2975 0.137 Uiso 0.5 1 d R U P F 3
H16B H 0.7060 0.3818 0.2835 0.137 Uiso 0.5 1 d R U P F 3
H16C H 0.7566 0.4491 0.2907 0.137 Uiso 0.5 1 d R U P F 3
O17 O 0.6366(14) 0.4876(9) 0.2803(4) 0.110(5) Uani 0.5 1 d D . P G 4
H17 H 0.6923 0.4488 0.2867 0.165 Uiso 0.5 1 calc R U P G 4
C17 C 0.6477(17) 0.5523(9) 0.2987(5) 0.076(5) Uiso 0.5 1 d D . P G 4
H17A H 0.5714 0.5893 0.3003 0.114 Uiso 0.5 1 d R U P G 4
H17B H 0.6974 0.5765 0.2838 0.114 Uiso 0.5 1 d R U P G 4
H17C H 0.6808 0.5346 0.3240 0.114 Uiso 0.5 1 d R U P G 4
O1W O 0.757(2) 0.6024(14) 0.2209(7) 0.078(7) Uiso 0.25 1 d . . P H 6
H11W H 0.7932 0.5931 0.2423 0.117 Uiso 0.25 1 d R U P H 6
H21W H 0.7423 0.5622 0.2155 0.117 Uiso 0.25 1 d R U P H 6
O2W O 0.7518(14) 0.4605(7) 0.1902(5) 0.132(8) Uani 0.5 1 d . . P I 7
H12W H 0.7766 0.4228 0.2074 0.198 Uiso 0.5 1 d R U P I 7
H22W H 0.7612 0.5004 0.1980 0.198 Uiso 0.5 1 d R U P I 7


_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
Re1 C1 1.947(5) . ?
Re1 C2 1.948(6) . ?
Re1 C10 2.097(5) . ?
Re1 C70 2.104(5) . ?
Re1 P2 2.4200(14) . ?
Re1 P1 2.4232(14) . ?
C1 O1 1.155(6) . ?
C2 O2 1.148(7) . ?
Re2 C3 1.935(5) . ?
Re2 C4 1.942(6) . ?
Re2 C20 2.102(5) . ?
Re2 C40 2.104(6) . ?
Re2 P4 2.4110(14) . ?
Re2 P3 2.4193(14) . ?
C3 O3 1.151(6) . ?
C4 O4 1.157(6) . ?
Re3 C6 1.931(6) . ?
Re3 C5 1.951(6) . ?
Re3 C60 2.106(5) . ?
Re3 C30 2.108(5) . ?
Re3 P5 2.4043(14) . ?
Re3 P6 2.4100(14) . ?
C5 O5 1.150(6) . ?
C6 O6 1.160(7) . ?
Re4 C8 1.930(6) . ?
Re4 C7 1.946(5) . ?
Re4 C50 2.103(5) . ?
Re4 C80 2.106(6) . ?
Re4 P8 2.4163(14) . ?
Re4 P7 2.4245(14) . ?
C7 O7 1.149(6) . ?
C8 O8 1.163(6) . ?
Ag1 N2 2.052(4) . ?
Ag1 N1 2.057(5) . ?
N1 C10 1.144(7) . ?
N2 C20 1.141(6) . ?
Ag2 N3 2.042(5) . ?
Ag2 N4 2.045(5) . ?
N3 C30 1.152(7) . ?
N4 C40 1.150(7) . ?
Ag3 N6 2.044(5) . ?
Ag3 N5 2.053(4) . ?
N5 C50 1.146(6) . ?
N6 C60 1.145(7) . ?
Ag4 N8 2.046(5) . ?
Ag4 N7 2.047(4) . ?
N7 C70 1.145(7) . ?
N8 C80 1.158(7) . ?
P1 C1B 1.829(5) . ?
P1 C1A 1.835(5) . ?
P1 C1C 1.844(5) . ?
C1A C2A 1.387(7) . ?
C1A C6A 1.397(7) . ?
C2A C3A 1.388(7) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.392(8) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.380(8) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.395(7) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C6B 1.402(7) . ?
C1B C2B 1.413(7) . ?
C2B C3B 1.373(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.387(8) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.379(8) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.385(7) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.386(7) . ?
C1C C6C 1.405(7) . ?
C2C C3C 1.390(8) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.380(9) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.381(9) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.384(8) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1D 1.827(5) . ?
P2 C1F 1.829(5) . ?
P2 C1E 1.842(5) . ?
C1D C6D 1.387(7) . ?
C1D C2D 1.400(7) . ?
C2D C3D 1.388(7) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.376(8) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.383(8) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.379(8) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C6E 1.391(7) . ?
C1E C2E 1.403(7) . ?
C2E C3E 1.387(7) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.361(8) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.397(8) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.395(8) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.383(7) . ?
C1F C2F 1.404(7) . ?
C2F C3F 1.386(7) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.385(8) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.387(8) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.379(7) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
P3 C1H 1.823(5) . ?
P3 C1I 1.834(6) . ?
P3 C1G 1.844(5) . ?
C1G C6G 1.389(7) . ?
C1G C2G 1.390(8) . ?
C2G C3G 1.387(8) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.388(8) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.378(9) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.382(8) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.386(7) . ?
C1H C6H 1.403(8) . ?
C2H C3H 1.394(7) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.372(9) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.382(9) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.390(8) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C6I 1.373(8) . ?
C1I C2I 1.411(8) . ?
C2I C3I 1.374(9) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.368(12) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.386(12) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.374(9) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
P4 C1L 1.836(5) . ?
P4 C1K 1.838(5) . ?
P4 C1J 1.839(5) . ?
C1J C2J 1.383(7) . ?
C1J C6J 1.392(8) . ?
C2J C3J 1.395(8) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.388(8) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.364(9) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.381(8) . ?
C5J H5J 0.9500 . ?
C6J H6J 0.9500 . ?
C1K C6K 1.377(8) . ?
C1K C2K 1.402(8) . ?
C2K C3K 1.386(9) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.340(11) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.368(12) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.391(10) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1L C2L 1.392(7) . ?
C1L C6L 1.395(7) . ?
C2L C3L 1.368(8) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.383(8) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.371(8) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.391(7) . ?
C5L H5L 0.9500 . ?
C6L H6L 0.9500 . ?
P5 C1O 1.825(5) . ?
P5 C1M 1.837(5) . ?
P5 C1N 1.841(5) . ?
C1M C6M 1.391(8) . ?
C1M C2M 1.399(7) . ?
C2M C3M 1.388(7) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.382(8) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.371(8) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.385(8) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1N C2N 1.386(8) . ?
C1N C6N 1.392(7) . ?
C2N C3N 1.386(8) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.386(9) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.383(9) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.377(8) . ?
C5N H5N 0.9500 . ?
C6N H6N 0.9500 . ?
C1O C2O 1.387(8) . ?
C1O C6O 1.414(7) . ?
C2O C3O 1.365(8) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.380(9) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.394(9) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.361(8) . ?
C5O H5O 0.9500 . ?
C6O H6O 0.9500 . ?
P6 C1P 1.828(5) . ?
P6 C1R 1.832(5) . ?
P6 C1Q 1.837(5) . ?
C1P C6P 1.378(7) . ?
C1P C2P 1.403(7) . ?
C2P C3P 1.388(8) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.374(9) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.369(9) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.397(8) . ?
C5P H5P 0.9500 . ?
C6P H6P 0.9500 . ?
C1Q C2Q 1.387(7) . ?
C1Q C6Q 1.391(7) . ?
C2Q C3Q 1.391(8) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.389(8) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.390(8) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.374(7) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?
C1R C2R 1.382(7) . ?
C1R C6R 1.412(8) . ?
C2R C3R 1.389(7) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.402(8) . ?
C3R H3R 0.9500 . ?
C4R C5R 1.382(9) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.380(8) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
P7 C1T 1.833(5) . ?
P7 C1U 1.844(5) . ?
P7 C1S 1.847(5) . ?
C1S C6S 1.378(7) . ?
C1S C2S 1.399(7) . ?
C2S C3S 1.372(8) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.391(9) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.376(8) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.388(8) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C1T C2T 1.382(7) . ?
C1T C6T 1.409(7) . ?
C2T C3T 1.392(7) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.370(8) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.393(8) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.375(7) . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?
C1U C6U 1.381(8) . ?
C1U C2U 1.398(7) . ?
C2U C3U 1.392(8) . ?
C2U H2U 0.9500 . ?
C3U C4U 1.372(8) . ?
C3U H3U 0.9500 . ?
C4U C5U 1.379(9) . ?
C4U H4U 0.9500 . ?
C5U C6U 1.376(8) . ?
C5U H5U 0.9500 . ?
C6U H6U 0.9500 . ?
P8 C1W 1.839(5) . ?
P8 C1Z 1.842(5) . ?
P8 C1V 1.844(5) . ?
C1V C6V 1.391(7) . ?
C1V C2V 1.394(7) . ?
C2V C3V 1.390(7) . ?
C2V H2V 0.9500 . ?
C3V C4V 1.375(8) . ?
C3V H3V 0.9500 . ?
C4V C5V 1.380(8) . ?
C4V H4V 0.9500 . ?
C5V C6V 1.393(8) . ?
C5V H5V 0.9500 . ?
C6V H6V 0.9500 . ?
C1W C2W 1.384(7) . ?
C1W C6W 1.409(7) . ?
C2W C3W 1.388(8) . ?
C2W H2W 0.9500 . ?
C3W C4W 1.380(8) . ?
C3W H3W 0.9500 . ?
C4W C5W 1.393(9) . ?
C4W H4W 0.9500 . ?
C5W C6W 1.386(7) . ?
C5W H5W 0.9500 . ?
C6W H6W 0.9500 . ?
C1Z C2Z 1.392(8) . ?
C1Z C6Z 1.394(7) . ?
C2Z C3Z 1.390(8) . ?
C2Z H2Z 0.9500 . ?
C3Z C4Z 1.379(9) . ?
C3Z H3Z 0.9500 . ?
C4Z C5Z 1.385(9) . ?
C4Z H4Z 0.9500 . ?
C5Z C6Z 1.389(7) . ?
C5Z H5Z 0.9500 . ?
C6Z H6Z 0.9500 . ?
O11 C11 1.469(8) . ?
O11 H11 0.8400 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
O12 C12 1.469(9) . ?
O12 H12 0.8400 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
O13 C13 1.450(8) . ?
O13 H13 0.8400 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
O14 C14 1.452(10) . ?
O14 H14 0.8400 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9799 . ?
C14 H14C 0.9800 . ?
O15 C15 1.451(10) . ?
O15 H15 0.8400 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
O16 C16 1.487(9) . ?
O16 H16 0.8400 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
O17 C17 1.476(9) . ?
O17 H17 0.8400 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
O1W H11W 0.8636 . ?
O1W H21W 0.8638 . ?
O2W H12W 0.8618 . ?
O2W H22W 0.8602 . ?

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
C1 Re1 C2 92.0(2) . . ?
C1 Re1 C10 177.8(2) . . ?
C2 Re1 C10 89.4(2) . . ?
C1 Re1 C70 91.7(2) . . ?
C2 Re1 C70 172.9(2) . . ?
C10 Re1 C70 87.11(19) . . ?
C1 Re1 P2 92.90(15) . . ?
C2 Re1 P2 90.83(16) . . ?
C10 Re1 P2 88.78(14) . . ?
C70 Re1 P2 82.98(15) . . ?
C1 Re1 P1 94.13(15) . . ?
C2 Re1 P1 90.70(16) . . ?
C10 Re1 P1 84.15(14) . . ?
C70 Re1 P1 95.03(15) . . ?
P2 Re1 P1 172.75(4) . . ?
O1 C1 Re1 178.1(4) . . ?
O2 C2 Re1 178.1(5) . . ?
C3 Re2 C4 92.8(2) . . ?
C3 Re2 C20 176.1(2) . . ?
C4 Re2 C20 91.0(2) . . ?
C3 Re2 C40 91.2(2) . . ?
C4 Re2 C40 174.9(2) . . ?
C20 Re2 C40 84.9(2) . . ?
C3 Re2 P4 92.47(15) . . ?
C4 Re2 P4 88.69(15) . . ?
C20 Re2 P4 88.25(14) . . ?
C40 Re2 P4 87.99(15) . . ?
C3 Re2 P3 92.11(15) . . ?
C4 Re2 P3 94.64(15) . . ?
C20 Re2 P3 86.94(14) . . ?
C40 Re2 P3 88.35(15) . . ?
P4 Re2 P3 174.20(4) . . ?
O3 C3 Re2 179.3(5) . . ?
O4 C4 Re2 176.3(5) . . ?
C6 Re3 C5 92.6(2) . . ?
C6 Re3 C60 94.8(2) . . ?
C5 Re3 C60 171.8(2) . . ?
C6 Re3 C30 178.1(2) . . ?
C5 Re3 C30 87.3(2) . . ?
C60 Re3 C30 85.41(19) . . ?
C6 Re3 P5 93.42(16) . . ?
C5 Re3 P5 90.66(16) . . ?
C60 Re3 P5 85.44(14) . . ?
C30 Re3 P5 88.47(15) . . ?
C6 Re3 P6 89.44(16) . . ?
C5 Re3 P6 94.67(16) . . ?
C60 Re3 P6 88.88(14) . . ?
C30 Re3 P6 88.68(15) . . ?
P5 Re3 P6 173.83(4) . . ?
O5 C5 Re3 177.7(5) . . ?
O6 C6 Re3 179.0(5) . . ?
C8 Re4 C7 90.9(2) . . ?
C8 Re4 C50 91.7(2) . . ?
C7 Re4 C50 176.0(2) . . ?
C8 Re4 C80 176.2(2) . . ?
C7 Re4 C80 91.4(2) . . ?
C50 Re4 C80 86.2(2) . . ?
C8 Re4 P8 89.96(15) . . ?
C7 Re4 P8 94.00(16) . . ?
C50 Re4 P8 89.06(15) . . ?
C80 Re4 P8 86.89(15) . . ?
C8 Re4 P7 93.79(15) . . ?
C7 Re4 P7 92.99(16) . . ?
C50 Re4 P7 83.79(15) . . ?
C80 Re4 P7 89.09(15) . . ?
P8 Re4 P7 172.02(4) . . ?
O7 C7 Re4 177.7(5) . . ?
O8 C8 Re4 177.5(4) . . ?
N2 Ag1 N1 177.09(18) . . ?
C10 N1 Ag1 162.8(4) . . ?
N1 C10 Re1 179.7(5) . . ?
C20 N2 Ag1 155.9(4) . . ?
N2 C20 Re2 178.8(5) . . ?
N3 Ag2 N4 177.49(19) . . ?
C30 N3 Ag2 168.6(4) . . ?
N3 C30 Re3 178.6(5) . . ?
C40 N4 Ag2 165.4(5) . . ?
N4 C40 Re2 179.5(5) . . ?
N6 Ag3 N5 169.08(19) . . ?
C50 N5 Ag3 156.4(4) . . ?
N5 C50 Re4 178.6(5) . . ?
C60 N6 Ag3 173.5(5) . . ?
N6 C60 Re3 176.1(5) . . ?
N8 Ag4 N7 177.66(19) . . ?
C70 N7 Ag4 162.4(4) . . ?
N7 C70 Re1 172.7(5) . . ?
C80 N8 Ag4 152.9(4) . . ?
N8 C80 Re4 178.2(5) . . ?
C1B P1 C1A 105.0(2) . . ?
C1B P1 C1C 98.0(2) . . ?
C1A P1 C1C 101.9(2) . . ?
C1B P1 Re1 113.45(17) . . ?
C1A P1 Re1 115.70(16) . . ?
C1C P1 Re1 120.32(18) . . ?
C2A C1A C6A 118.6(5) . . ?
C2A C1A P1 119.2(4) . . ?
C6A C1A P1 122.0(4) . . ?
C1A C2A C3A 121.0(5) . . ?
C1A C2A H2A 119.5 . . ?
C3A C2A H2A 119.5 . . ?
C2A C3A C4A 119.9(5) . . ?
C2A C3A H3A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C5A C4A C3A 119.7(5) . . ?
C5A C4A H4A 120.1 . . ?
C3A C4A H4A 120.1 . . ?
C4A C5A C6A 120.2(5) . . ?
C4A C5A H5A 119.9 . . ?
C6A C5A H5A 119.9 . . ?
C5A C6A C1A 120.5(5) . . ?
C5A C6A H6A 119.8 . . ?
C1A C6A H6A 119.8 . . ?
C6B C1B C2B 117.1(5) . . ?
C6B C1B P1 124.7(4) . . ?
C2B C1B P1 118.2(4) . . ?
C3B C2B C1B 121.1(5) . . ?
C3B C2B H2B 119.5 . . ?
C1B C2B H2B 119.5 . . ?
C2B C3B C4B 120.7(5) . . ?
C2B C3B H3B 119.6 . . ?
C4B C3B H3B 119.6 . . ?
C5B C4B C3B 119.4(5) . . ?
C5B C4B H4B 120.3 . . ?
C3B C4B H4B 120.3 . . ?
C4B C5B C6B 120.5(5) . . ?
C4B C5B H5B 119.8 . . ?
C6B C5B H5B 119.8 . . ?
C5B C6B C1B 121.2(5) . . ?
C5B C6B H6B 119.4 . . ?
C1B C6B H6B 119.4 . . ?
C2C C1C C6C 118.8(5) . . ?
C2C C1C P1 122.1(4) . . ?
C6C C1C P1 119.1(4) . . ?
C1C C2C C3C 120.1(5) . . ?
C1C C2C H2C 120.0 . . ?
C3C C2C H2C 120.0 . . ?
C4C C3C C2C 120.8(6) . . ?
C4C C3C H3C 119.6 . . ?
C2C C3C H3C 119.6 . . ?
C3C C4C C5C 119.7(5) . . ?
C3C C4C H4C 120.2 . . ?
C5C C4C H4C 120.2 . . ?
C4C C5C C6C 120.1(6) . . ?
C4C C5C H5C 120.0 . . ?
C6C C5C H5C 120.0 . . ?
C5C C6C C1C 120.6(5) . . ?
C5C C6C H6C 119.7 . . ?
C1C C6C H6C 119.7 . . ?
C1D P2 C1F 106.5(2) . . ?
C1D P2 C1E 97.6(2) . . ?
C1F P2 C1E 102.1(2) . . ?
C1D P2 Re1 118.77(17) . . ?
C1F P2 Re1 111.62(17) . . ?
C1E P2 Re1 118.18(17) . . ?
C6D C1D C2D 118.8(5) . . ?
C6D C1D P2 121.1(4) . . ?
C2D C1D P2 119.2(4) . . ?
C3D C2D C1D 120.2(5) . . ?
C3D C2D H2D 119.9 . . ?
C1D C2D H2D 119.9 . . ?
C4D C3D C2D 120.2(5) . . ?
C4D C3D H3D 119.9 . . ?
C2D C3D H3D 119.9 . . ?
C3D C4D C5D 119.8(5) . . ?
C3D C4D H4D 120.1 . . ?
C5D C4D H4D 120.1 . . ?
C6D C5D C4D 120.5(5) . . ?
C6D C5D H5D 119.8 . . ?
C4D C5D H5D 119.8 . . ?
C5D C6D C1D 120.5(5) . . ?
C5D C6D H6D 119.8 . . ?
C1D C6D H6D 119.8 . . ?
C6E C1E C2E 117.8(5) . . ?
C6E C1E P2 124.0(4) . . ?
C2E C1E P2 118.1(4) . . ?
C3E C2E C1E 120.6(5) . . ?
C3E C2E H2E 119.7 . . ?
C1E C2E H2E 119.7 . . ?
C4E C3E C2E 121.3(5) . . ?
C4E C3E H3E 119.4 . . ?
C2E C3E H3E 119.4 . . ?
C3E C4E C5E 119.2(5) . . ?
C3E C4E H4E 120.4 . . ?
C5E C4E H4E 120.4 . . ?
C6E C5E C4E 120.0(6) . . ?
C6E C5E H5E 120.0 . . ?
C4E C5E H5E 120.0 . . ?
C1E C6E C5E 120.9(5) . . ?
C1E C6E H6E 119.5 . . ?
C5E C6E H6E 119.5 . . ?
C6F C1F C2F 117.6(5) . . ?
C6F C1F P2 123.6(4) . . ?
C2F C1F P2 118.2(4) . . ?
C3F C2F C1F 121.6(5) . . ?
C3F C2F H2F 119.2 . . ?
C1F C2F H2F 119.2 . . ?
C4F C3F C2F 119.5(5) . . ?
C4F C3F H3F 120.2 . . ?
C2F C3F H3F 120.2 . . ?
C3F C4F C5F 119.3(5) . . ?
C3F C4F H4F 120.4 . . ?
C5F C4F H4F 120.4 . . ?
C6F C5F C4F 120.9(5) . . ?
C6F C5F H5F 119.6 . . ?
C4F C5F H5F 119.6 . . ?
C5F C6F C1F 121.1(5) . . ?
C5F C6F H6F 119.5 . . ?
C1F C6F H6F 119.5 . . ?
C1H P3 C1I 102.9(3) . . ?
C1H P3 C1G 99.9(2) . . ?
C1I P3 C1G 104.6(2) . . ?
C1H P3 Re2 118.24(18) . . ?
C1I P3 Re2 110.82(18) . . ?
C1G P3 Re2 118.41(18) . . ?
C6G C1G C2G 118.3(5) . . ?
C6G C1G P3 122.9(4) . . ?
C2G C1G P3 118.6(4) . . ?
C3G C2G C1G 121.2(5) . . ?
C3G C2G H2G 119.4 . . ?
C1G C2G H2G 119.4 . . ?
C2G C3G C4G 119.5(6) . . ?
C2G C3G H3G 120.2 . . ?
C4G C3G H3G 120.2 . . ?
C5G C4G C3G 119.8(5) . . ?
C5G C4G H4G 120.1 . . ?
C3G C4G H4G 120.1 . . ?
C4G C5G C6G 120.4(5) . . ?
C4G C5G H5G 119.8 . . ?
C6G C5G H5G 119.8 . . ?
C5G C6G C1G 120.8(5) . . ?
C5G C6G H6G 119.6 . . ?
C1G C6G H6G 119.6 . . ?
C2H C1H C6H 117.7(5) . . ?
C2H C1H P3 121.7(4) . . ?
C6H C1H P3 120.4(4) . . ?
C1H C2H C3H 120.8(5) . . ?
C1H C2H H2H 119.6 . . ?
C3H C2H H2H 119.6 . . ?
C4H C3H C2H 120.6(5) . . ?
C4H C3H H3H 119.7 . . ?
C2H C3H H3H 119.7 . . ?
C3H C4H C5H 119.9(5) . . ?
C3H C4H H4H 120.0 . . ?
C5H C4H H4H 120.0 . . ?
C4H C5H C6H 119.6(6) . . ?
C4H C5H H5H 120.2 . . ?
C6H C5H H5H 120.2 . . ?
C5H C6H C1H 121.4(6) . . ?
C5H C6H H6H 119.3 . . ?
C1H C6H H6H 119.3 . . ?
C6I C1I C2I 118.5(6) . . ?
C6I C1I P3 120.8(5) . . ?
C2I C1I P3 119.8(4) . . ?
C3I C2I C1I 120.2(7) . . ?
C3I C2I H2I 119.9 . . ?
C1I C2I H2I 119.9 . . ?
C4I C3I C2I 120.5(7) . . ?
C4I C3I H3I 119.8 . . ?
C2I C3I H3I 119.8 . . ?
C3I C4I C5I 119.6(7) . . ?
C3I C4I H4I 120.2 . . ?
C5I C4I H4I 120.2 . . ?
C6I C5I C4I 120.4(7) . . ?
C6I C5I H5I 119.8 . . ?
C4I C5I H5I 119.8 . . ?
C1I C6I C5I 120.7(7) . . ?
C1I C6I H6I 119.6 . . ?
C5I C6I H6I 119.6 . . ?
C1L P4 C1K 104.7(2) . . ?
C1L P4 C1J 101.8(2) . . ?
C1K P4 C1J 101.3(2) . . ?
C1L P4 Re2 111.91(17) . . ?
C1K P4 Re2 115.89(18) . . ?
C1J P4 Re2 119.25(18) . . ?
C2J C1J C6J 118.1(5) . . ?
C2J C1J P4 121.2(4) . . ?
C6J C1J P4 120.7(4) . . ?
C1J C2J C3J 119.9(5) . . ?
C1J C2J H2J 120.1 . . ?
C3J C2J H2J 120.1 . . ?
C4J C3J C2J 121.1(5) . . ?
C4J C3J H3J 119.4 . . ?
C2J C3J H3J 119.4 . . ?
C5J C4J C3J 118.8(5) . . ?
C5J C4J H4J 120.6 . . ?
C3J C4J H4J 120.6 . . ?
C4J C5J C6J 120.4(6) . . ?
C4J C5J H5J 119.8 . . ?
C6J C5J H5J 119.8 . . ?
C5J C6J C1J 121.5(6) . . ?
C5J C6J H6J 119.2 . . ?
C1J C6J H6J 119.2 . . ?
C6K C1K C2K 116.7(5) . . ?
C6K C1K P4 125.0(5) . . ?
C2K C1K P4 118.3(4) . . ?
C3K C2K C1K 121.0(6) . . ?
C3K C2K H2K 119.5 . . ?
C1K C2K H2K 119.5 . . ?
C4K C3K C2K 121.7(7) . . ?
C4K C3K H3K 119.1 . . ?
C2K C3K H3K 119.1 . . ?
C3K C4K C5K 118.2(7) . . ?
C3K C4K H4K 120.9 . . ?
C5K C4K H4K 120.9 . . ?
C4K C5K C6K 121.8(7) . . ?
C4K C5K H5K 119.1 . . ?
C6K C5K H5K 119.1 . . ?
C1K C6K C5K 120.6(7) . . ?
C1K C6K H6K 119.7 . . ?
C5K C6K H6K 119.7 . . ?
C2L C1L C6L 118.4(5) . . ?
C2L C1L P4 119.9(4) . . ?
C6L C1L P4 121.5(4) . . ?
C3L C2L C1L 120.8(5) . . ?
C3L C2L H2L 119.6 . . ?
C1L C2L H2L 119.6 . . ?
C2L C3L C4L 121.0(5) . . ?
C2L C3L H3L 119.5 . . ?
C4L C3L H3L 119.5 . . ?
C5L C4L C3L 118.8(5) . . ?
C5L C4L H4L 120.6 . . ?
C3L C4L H4L 120.6 . . ?
C4L C5L C6L 121.0(5) . . ?
C4L C5L H5L 119.5 . . ?
C6L C5L H5L 119.5 . . ?
C5L C6L C1L 119.9(5) . . ?
C5L C6L H6L 120.0 . . ?
C1L C6L H6L 120.0 . . ?
C1O P5 C1M 103.0(2) . . ?
C1O P5 C1N 103.4(2) . . ?
C1M P5 C1N 100.0(2) . . ?
C1O P5 Re3 112.12(17) . . ?
C1M P5 Re3 117.53(17) . . ?
C1N P5 Re3 118.64(18) . . ?
C6M C1M C2M 117.5(5) . . ?
C6M C1M P5 120.2(4) . . ?
C2M C1M P5 122.3(4) . . ?
C3M C2M C1M 120.6(5) . . ?
C3M C2M H2M 119.7 . . ?
C1M C2M H2M 119.7 . . ?
C4M C3M C2M 120.0(5) . . ?
C4M C3M H3M 120.0 . . ?
C2M C3M H3M 120.0 . . ?
C5M C4M C3M 120.6(5) . . ?
C5M C4M H4M 119.7 . . ?
C3M C4M H4M 119.7 . . ?
C4M C5M C6M 119.2(6) . . ?
C4M C5M H5M 120.4 . . ?
C6M C5M H5M 120.4 . . ?
C5M C6M C1M 122.1(5) . . ?
C5M C6M H6M 119.0 . . ?
C1M C6M H6M 119.0 . . ?
C2N C1N C6N 118.4(5) . . ?
C2N C1N P5 118.6(4) . . ?
C6N C1N P5 122.9(4) . . ?
C3N C2N C1N 120.1(5) . . ?
C3N C2N H2N 119.9 . . ?
C1N C2N H2N 119.9 . . ?
C4N C3N C2N 121.0(6) . . ?
C4N C3N H3N 119.5 . . ?
C2N C3N H3N 119.5 . . ?
C5N C4N C3N 119.0(5) . . ?
C5N C4N H4N 120.5 . . ?
C3N C4N H4N 120.5 . . ?
C6N C5N C4N 120.1(5) . . ?
C6N C5N H5N 120.0 . . ?
C4N C5N H5N 120.0 . . ?
C5N C6N C1N 121.4(6) . . ?
C5N C6N H6N 119.3 . . ?
C1N C6N H6N 119.3 . . ?
C2O C1O C6O 117.4(5) . . ?
C2O C1O P5 121.7(4) . . ?
C6O C1O P5 120.2(4) . . ?
C3O C2O C1O 121.6(6) . . ?
C3O C2O H2O 119.2 . . ?
C1O C2O H2O 119.2 . . ?
C2O C3O C4O 120.7(6) . . ?
C2O C3O H3O 119.6 . . ?
C4O C3O H3O 119.6 . . ?
C3O C4O C5O 118.7(6) . . ?
C3O C4O H4O 120.7 . . ?
C5O C4O H4O 120.7 . . ?
C6O C5O C4O 120.9(5) . . ?
C6O C5O H5O 119.5 . . ?
C4O C5O H5O 119.5 . . ?
C5O C6O C1O 120.6(6) . . ?
C5O C6O H6O 119.7 . . ?
C1O C6O H6O 119.7 . . ?
C1P P6 C1R 102.8(2) . . ?
C1P P6 C1Q 105.1(2) . . ?
C1R P6 C1Q 98.8(2) . . ?
C1P P6 Re3 113.49(17) . . ?
C1R P6 Re3 119.25(18) . . ?
C1Q P6 Re3 115.29(17) . . ?
C6P C1P C2P 118.5(5) . . ?
C6P C1P P6 122.9(4) . . ?
C2P C1P P6 118.4(4) . . ?
C3P C2P C1P 120.0(6) . . ?
C3P C2P H2P 120.0 . . ?
C1P C2P H2P 120.0 . . ?
C4P C3P C2P 120.7(6) . . ?
C4P C3P H3P 119.7 . . ?
C2P C3P H3P 119.7 . . ?
C5P C4P C3P 119.8(5) . . ?
C5P C4P H4P 120.1 . . ?
C3P C4P H4P 120.1 . . ?
C4P C5P C6P 120.3(6) . . ?
C4P C5P H5P 119.9 . . ?
C6P C5P H5P 119.9 . . ?
C1P C6P C5P 120.7(6) . . ?
C1P C6P H6P 119.6 . . ?
C5P C6P H6P 119.6 . . ?
C2Q C1Q C6Q 118.2(5) . . ?
C2Q C1Q P6 124.1(4) . . ?
C6Q C1Q P6 117.6(4) . . ?
C1Q C2Q C3Q 120.8(5) . . ?
C1Q C2Q H2Q 119.6 . . ?
C3Q C2Q H2Q 119.6 . . ?
C4Q C3Q C2Q 120.1(5) . . ?
C4Q C3Q H3Q 119.9 . . ?
C2Q C3Q H3Q 119.9 . . ?
C3Q C4Q C5Q 119.2(5) . . ?
C3Q C4Q H4Q 120.4 . . ?
C5Q C4Q H4Q 120.4 . . ?
C6Q C5Q C4Q 120.2(5) . . ?
C6Q C5Q H5Q 119.9 . . ?
C4Q C5Q H5Q 119.9 . . ?
C5Q C6Q C1Q 121.5(5) . . ?
C5Q C6Q H6Q 119.3 . . ?
C1Q C6Q H6Q 119.3 . . ?
C2R C1R C6R 117.6(5) . . ?
C2R C1R P6 124.4(4) . . ?
C6R C1R P6 118.0(4) . . ?
C1R C2R C3R 121.5(5) . . ?
C1R C2R H2R 119.2 . . ?
C3R C2R H2R 119.2 . . ?
C2R C3R C4R 120.1(5) . . ?
C2R C3R H3R 119.9 . . ?
C4R C3R H3R 119.9 . . ?
C5R C4R C3R 118.9(5) . . ?
C5R C4R H4R 120.6 . . ?
C3R C4R H4R 120.6 . . ?
C6R C5R C4R 120.7(6) . . ?
C6R C5R H5R 119.7 . . ?
C4R C5R H5R 119.7 . . ?
C5R C6R C1R 121.1(5) . . ?
C5R C6R H6R 119.4 . . ?
C1R C6R H6R 119.4 . . ?
C1T P7 C1U 99.3(2) . . ?
C1T P7 C1S 103.3(2) . . ?
C1U P7 C1S 103.1(2) . . ?
C1T P7 Re4 118.30(17) . . ?
C1U P7 Re4 118.19(17) . . ?
C1S P7 Re4 112.43(17) . . ?
C6S C1S C2S 118.8(5) . . ?
C6S C1S P7 121.5(4) . . ?
C2S C1S P7 119.6(4) . . ?
C3S C2S C1S 120.2(5) . . ?
C3S C2S H2S 119.9 . . ?
C1S C2S H2S 119.9 . . ?
C2S C3S C4S 120.8(5) . . ?
C2S C3S H3S 119.6 . . ?
C4S C3S H3S 119.6 . . ?
C5S C4S C3S 119.0(5) . . ?
C5S C4S H4S 120.5 . . ?
C3S C4S H4S 120.5 . . ?
C4S C5S C6S 120.4(5) . . ?
C4S C5S H5S 119.8 . . ?
C6S C5S H5S 119.8 . . ?
C1S C6S C5S 120.8(5) . . ?
C1S C6S H6S 119.6 . . ?
C5S C6S H6S 119.6 . . ?
C2T C1T C6T 119.1(5) . . ?
C2T C1T P7 120.2(4) . . ?
C6T C1T P7 120.5(4) . . ?
C1T C2T C3T 119.5(5) . . ?
C1T C2T H2T 120.3 . . ?
C3T C2T H2T 120.3 . . ?
C4T C3T C2T 121.3(5) . . ?
C4T C3T H3T 119.4 . . ?
C2T C3T H3T 119.4 . . ?
C3T C4T C5T 119.7(5) . . ?
C3T C4T H4T 120.2 . . ?
C5T C4T H4T 120.2 . . ?
C6T C5T C4T 119.7(5) . . ?
C6T C5T H5T 120.2 . . ?
C4T C5T H5T 120.2 . . ?
C5T C6T C1T 120.7(5) . . ?
C5T C6T H6T 119.7 . . ?
C1T C6T H6T 119.7 . . ?
C6U C1U C2U 118.3(5) . . ?
C6U C1U P7 119.8(4) . . ?
C2U C1U P7 121.3(4) . . ?
C3U C2U C1U 120.4(5) . . ?
C3U C2U H2U 119.8 . . ?
C1U C2U H2U 119.8 . . ?
C4U C3U C2U 120.1(5) . . ?
C4U C3U H3U 119.9 . . ?
C2U C3U H3U 119.9 . . ?
C3U C4U C5U 119.6(5) . . ?
C3U C4U H4U 120.2 . . ?
C5U C4U H4U 120.2 . . ?
C6U C5U C4U 120.6(6) . . ?
C6U C5U H5U 119.7 . . ?
C4U C5U H5U 119.7 . . ?
C5U C6U C1U 121.0(6) . . ?
C5U C6U H6U 119.5 . . ?
C1U C6U H6U 119.5 . . ?
C1W P8 C1Z 98.1(2) . . ?
C1W P8 C1V 103.0(2) . . ?
C1Z P8 C1V 103.5(2) . . ?
C1W P8 Re4 119.51(17) . . ?
C1Z P8 Re4 118.01(18) . . ?
C1V P8 Re4 112.31(17) . . ?
C6V C1V C2V 119.5(5) . . ?
C6V C1V P8 118.6(4) . . ?
C2V C1V P8 121.7(4) . . ?
C3V C2V C1V 119.3(5) . . ?
C3V C2V H2V 120.3 . . ?
C1V C2V H2V 120.3 . . ?
C4V C3V C2V 121.0(5) . . ?
C4V C3V H3V 119.5 . . ?
C2V C3V H3V 119.5 . . ?
C3V C4V C5V 120.0(5) . . ?
C3V C4V H4V 120.0 . . ?
C5V C4V H4V 120.0 . . ?
C4V C5V C6V 119.8(5) . . ?
C4V C5V H5V 120.1 . . ?
C6V C5V H5V 120.1 . . ?
C1V C6V C5V 120.3(5) . . ?
C1V C6V H6V 119.8 . . ?
C5V C6V H6V 119.8 . . ?
C2W C1W C6W 118.1(5) . . ?
C2W C1W P8 125.4(4) . . ?
C6W C1W P8 116.1(4) . . ?
C1W C2W C3W 120.8(5) . . ?
C1W C2W H2W 119.6 . . ?
C3W C2W H2W 119.6 . . ?
C4W C3W C2W 120.8(5) . . ?
C4W C3W H3W 119.6 . . ?
C2W C3W H3W 119.6 . . ?
C3W C4W C5W 119.3(5) . . ?
C3W C4W H4W 120.4 . . ?
C5W C4W H4W 120.4 . . ?
C6W C5W C4W 120.0(6) . . ?
C6W C5W H5W 120.0 . . ?
C4W C5W H5W 120.0 . . ?
C5W C6W C1W 120.9(5) . . ?
C5W C6W H6W 119.6 . . ?
C1W C6W H6W 119.6 . . ?
C2Z C1Z C6Z 119.1(5) . . ?
C2Z C1Z P8 118.5(4) . . ?
C6Z C1Z P8 122.3(4) . . ?
C3Z C2Z C1Z 120.2(6) . . ?
C3Z C2Z H2Z 119.9 . . ?
C1Z C2Z H2Z 119.9 . . ?
C4Z C3Z C2Z 120.6(6) . . ?
C4Z C3Z H3Z 119.7 . . ?
C2Z C3Z H3Z 119.7 . . ?
C3Z C4Z C5Z 119.4(5) . . ?
C3Z C4Z H4Z 120.3 . . ?
C5Z C4Z H4Z 120.3 . . ?
C4Z C5Z C6Z 120.6(6) . . ?
C4Z C5Z H5Z 119.7 . . ?
C6Z C5Z H5Z 119.7 . . ?
C5Z C6Z C1Z 120.1(5) . . ?
C5Z C6Z H6Z 120.0 . . ?
C1Z C6Z H6Z 120.0 . . ?
C11 O11 H11 109.5 . . ?
O11 C11 H11A 109.1 . . ?
O11 C11 H11B 110.1 . . ?
H11A C11 H11B 109.5 . . ?
O11 C11 H11C 109.2 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 O12 H12 109.5 . . ?
O12 C12 H12A 109.5 . . ?
O12 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O12 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 O13 H13 109.5 . . ?
O13 C13 H13A 109.5 . . ?
O13 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O13 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C14 O14 H14 109.5 . . ?
O14 C14 H14A 109.8 . . ?
O14 C14 H14B 107.3 . . ?
H14A C14 H14B 109.5 . . ?
O14 C14 H14C 111.3 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 O15 H15 109.5 . . ?
O15 C15 H15A 110.4 . . ?
O15 C15 H15B 108.7 . . ?
H15A C15 H15B 109.5 . . ?
O15 C15 H15C 109.3 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 O16 H16 109.5 . . ?
O16 C16 H16A 107.7 . . ?
O16 C16 H16B 110.2 . . ?
H16A C16 H16B 109.5 . . ?
O16 C16 H16C 110.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 O17 H17 109.5 . . ?
O17 C17 H17A 108.9 . . ?
O17 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O17 C17 H17C 110.1 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
H11W O1W H21W 110.1 . . ?
H12W O2W H22W 108.5 . . ?

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
C1B P1 C1A C2A -72.4(4) . . . . ?
C1C P1 C1A C2A -174.1(4) . . . . ?
C1B P1 C1A C6A 112.2(4) . . . . ?
C1C P1 C1A C6A 10.5(5) . . . . ?
C6A C1A C2A C3A -0.7(8) . . . . ?
P1 C1A C2A C3A -176.3(4) . . . . ?
C1A C2A C3A C4A 0.5(8) . . . . ?
C2A C3A C4A C5A 0.0(8) . . . . ?
C3A C4A C5A C6A -0.1(8) . . . . ?
C4A C5A C6A C1A -0.1(8) . . . . ?
C2A C1A C6A C5A 0.6(7) . . . . ?
P1 C1A C6A C5A 176.0(4) . . . . ?
C1A P1 C1B C6B 24.4(5) . . . . ?
C1C P1 C1B C6B 129.1(5) . . . . ?
C1A P1 C1B C2B -154.9(4) . . . . ?
C1C P1 C1B C2B -50.3(5) . . . . ?
C6B C1B C2B C3B -3.6(8) . . . . ?
P1 C1B C2B C3B 175.8(4) . . . . ?
C1B C2B C3B C4B 2.3(8) . . . . ?
C2B C3B C4B C5B 0.2(8) . . . . ?
C3B C4B C5B C6B -1.3(8) . . . . ?
C4B C5B C6B C1B -0.1(8) . . . . ?
C2B C1B C6B C5B 2.5(8) . . . . ?
P1 C1B C6B C5B -176.9(4) . . . . ?
C1B P1 C1C C2C 142.0(4) . . . . ?
C1A P1 C1C C2C -110.7(4) . . . . ?
C1B P1 C1C C6C -40.4(5) . . . . ?
C1A P1 C1C C6C 66.9(4) . . . . ?
C6C C1C C2C C3C 0.1(8) . . . . ?
P1 C1C C2C C3C 177.7(4) . . . . ?
C1C C2C C3C C4C 0.3(9) . . . . ?
C2C C3C C4C C5C -0.6(9) . . . . ?
C3C C4C C5C C6C 0.6(9) . . . . ?
C4C C5C C6C C1C -0.2(9) . . . . ?
C2C C1C C6C C5C -0.1(8) . . . . ?
P1 C1C C6C C5C -177.8(4) . . . . ?
C1F P2 C1D C6D -38.4(5) . . . . ?
C1E P2 C1D C6D 66.6(5) . . . . ?
C1F P2 C1D C2D 152.8(4) . . . . ?
C1E P2 C1D C2D -102.1(4) . . . . ?
C6D C1D C2D C3D -2.2(8) . . . . ?
P2 C1D C2D C3D 166.9(4) . . . . ?
C1D C2D C3D C4D 3.1(8) . . . . ?
C2D C3D C4D C5D -1.4(8) . . . . ?
C3D C4D C5D C6D -1.3(8) . . . . ?
C4D C5D C6D C1D 2.2(8) . . . . ?
C2D C1D C6D C5D -0.5(8) . . . . ?
P2 C1D C6D C5D -169.3(4) . . . . ?
C1D P2 C1E C6E -92.9(5) . . . . ?
C1F P2 C1E C6E 15.9(5) . . . . ?
Re1 P2 C1E C6E 138.7(4) . . . . ?
C1D P2 C1E C2E 83.5(4) . . . . ?
C1F P2 C1E C2E -167.7(4) . . . . ?
Re1 P2 C1E C2E -44.9(5) . . . . ?
C6E C1E C2E C3E -4.4(8) . . . . ?
P2 C1E C2E C3E 179.0(4) . . . . ?
C1E C2E C3E C4E 1.6(8) . . . . ?
C2E C3E C4E C5E 2.0(9) . . . . ?
C3E C4E C5E C6E -2.7(10) . . . . ?
C2E C1E C6E C5E 3.7(9) . . . . ?
P2 C1E C6E C5E -179.9(5) . . . . ?
C4E C5E C6E C1E -0.2(10) . . . . ?
C1D P2 C1F C6F -36.2(5) . . . . ?
C1E P2 C1F C6F -137.9(5) . . . . ?
C1D P2 C1F C2F 152.9(4) . . . . ?
C1E P2 C1F C2F 51.1(5) . . . . ?
C6F C1F C2F C3F 2.4(8) . . . . ?
P2 C1F C2F C3F 173.9(4) . . . . ?
C1F C2F C3F C4F -1.9(8) . . . . ?
C2F C3F C4F C5F 0.7(8) . . . . ?
C3F C4F C5F C6F 0.1(9) . . . . ?
C4F C5F C6F C1F 0.4(9) . . . . ?
C2F C1F C6F C5F -1.6(8) . . . . ?
P2 C1F C6F C5F -172.6(4) . . . . ?
C1H P3 C1G C6G -81.6(5) . . . . ?
C1I P3 C1G C6G 24.6(5) . . . . ?
C1H P3 C1G C2G 92.4(5) . . . . ?
C1I P3 C1G C2G -161.4(4) . . . . ?
C6G C1G C2G C3G 0.3(8) . . . . ?
P3 C1G C2G C3G -174.0(4) . . . . ?
C1G C2G C3G C4G 0.8(9) . . . . ?
C2G C3G C4G C5G -1.9(9) . . . . ?
C3G C4G C5G C6G 1.7(9) . . . . ?
C4G C5G C6G C1G -0.6(8) . . . . ?
C2G C1G C6G C5G -0.4(8) . . . . ?
P3 C1G C6G C5G 173.6(4) . . . . ?
C1I P3 C1H C2H 139.8(5) . . . . ?
C1G P3 C1H 9C2H -112.6(5) . . . . ?
C1I P3 C1H C6H -44.1(5) . . . . ?
C1G P3 C1H C6H 63.5(5) . . . . ?
C6H C1H C2H C3H -0.3(8) . . . . ?
P3 C1H C2H C3H 175.8(4) . . . . ?
C1H C2H C3H C4H 0.3(9) . . . . ?
C2H C3H C4H C5H 0.2(10) . . . . ?
C3H C4H C5H C6H -0.6(10) . . . . ?
C4H C5H C6H C1H 0.6(11) . . . . ?
C2H C1H C6H C5H -0.1(9) . . . . ?
P3 C1H C6H C5H -176.3(5) . . . . ?
C1H P3 C1I C6I -42.0(5) . . . . ?
C1G P3 C1I C6I -146.0(5) . . . . ?
C1H P3 C1I C2I 149.1(5) . . . . ?
C1G P3 C1I C2I 45.2(5) . . . . ?
C6I C1I C2I C3I 2.5(9) . . . . ?
P3 C1I C2I C3I 171.5(5) . . . . ?
C1I C2I C3I C4I -1.9(10) . . . . ?
C2I C3I C4I C5I 0.4(11) . . . . ?
C3I C4I C5I C6I 0.6(11) . . . . ?
C2I C1I C6I C5I -1.5(9) . . . . ?
P3 C1I C6I C5I -170.4(5) . . . . ?
C4I C5I C6I C1I 0.0(10) . . . . ?
C1L P4 C1J C2J -141.2(4) . . . . ?
C1K P4 C1J C2J 110.9(4) . . . . ?
C1L P4 C1J C6J 40.1(5) . . . . ?
C1K P4 C1J C6J -67.7(5) . . . . ?
C6J C1J C2J C3J -1.6(8) . . . . ?
P4 C1J C2J C3J 179.7(4) . . . . ?
C1J C2J C3J C4J -0.5(8) . . . . ?
C2J C3J C4J C5J 1.8(8) . . . . ?
C3J C4J C5J C6J -1.0(10) . . . . ?
C4J C5J C6J C1J -1.2(10) . . . . ?
C2J C1J C6J C5J 2.5(9) . . . . ?
P4 C1J C6J C5J -178.8(5) . . . . ?
C1L P4 C1K C6K -19.0(6) . . . . ?
C1J P4 C1K C6K 86.5(6) . . . . ?
C1L P4 C1K C2K 160.5(5) . . . . ?
C1J P4 C1K C2K -94.0(5) . . . . ?
C6K C1K C2K C3K 0.0(9) . . . . ?
P4 C1K C2K C3K -179.6(5) . . . . ?
C1K C2K C3K C4K 0.6(11) . . . . ?
C2K C3K C4K C5K -0.8(11) . . . . ?
C3K C4K C5K C6K 0.5(12) . . . . ?
C2K C1K C6K C5K -0.3(10) . . . . ?
P4 C1K C6K C5K 179.2(6) . . . . ?
C4K C5K C6K C1K 0.1(12) . . . . ?
C1K P4 C1L C2L 142.7(4) . . . . ?
C1J P4 C1L C2L 37.5(5) . . . . ?
C1K P4 C1L C6L -43.5(5) . . . . ?
C1J P4 C1L C6L -148.8(4) . . . . ?
C6L C1L C2L C3L 1.2(8) . . . . ?
P4 C1L C2L C3L 175.1(5) . . . . ?
C1L C2L C3L C4L 0.7(9) . . . . ?
C2L C3L C4L C5L -1.6(9) . . . . ?
C3L C4L C5L C6L 0.5(9) . . . . ?
C4L C5L C6L C1L 1.4(8) . . . . ?
C2L C1L C6L C5L -2.2(8) . . . . ?
P4 C1L C6L C5L -176.0(4) . . . . ?
C1O P5 C1M C6M 41.1(5) . . . . ?
C1N P5 C1M C6M -65.2(5) . . . . ?
C1O P5 C1M C2M -141.3(5) . . . . ?
C1N P5 C1M C2M 112.3(5) . . . . ?
C6M C1M C2M C3M 0.7(8) . . . . ?
P5 C1M C2M C3M -176.9(4) . . . . ?
C1M C2M C3M C4M -0.5(9) . . . . ?
C2M C3M C4M C5M 0.3(9) . . . . ?
C3M C4M C5M C6M -0.4(9) . . . . ?
C4M C5M C6M C1M 0.6(9) . . . . ?
C2M C1M C6M C5M -0.8(9) . . . . ?
P5 C1M C6M C5M 176.9(5) . . . . ?
C1O P5 C1N C2N 153.0(4) . . . . ?
C1M P5 C1N C2N -100.9(5) . . . . ?
C1O P5 C1N C6N -31.1(5) . . . . ?
C1M P5 C1N C6N 75.0(5) . . . . ?
C6N C1N C2N C3N 2.0(9) . . . . ?
P5 C1N C2N C3N 178.1(5) . . . . ?
C1N C2N C3N C4N -1.4(10) . . . . ?
C2N C3N C4N C5N 0.5(10) . . . . ?
C3N C4N C5N C6N -0.2(9) . . . . ?
C4N C5N C6N C1N 0.8(9) . . . . ?
C2N C1N C6N C5N -1.7(8) . . . . ?
P5 C1N C6N C5N -177.6(4) . . . . ?
C1M P5 C1O C2O 42.4(5) . . . . ?
C1N P5 C1O C2O 146.1(5) . . . . ?
C1M P5 C1O C6O -147.2(4) . . . . ?
C1N P5 C1O C6O -43.4(5) . . . . ?
C6O C1O C2O C3O 1.3(9) . . . . ?
P5 C1O C2O C3O 172.0(5) . . . . ?
C1O C2O C3O C4O 0.3(10) . . . . ?
C2O C3O C4O C5O -1.1(10) . . . . ?
C3O C4O C5O C6O 0.2(10) . . . . ?
C4O C5O C6O C1O 1.4(9) . . . . ?
C2O C1O C6O C5O -2.1(8) . . . . ?
P5 C1O C6O C5O -172.9(5) . . . . ?
C1R P6 C1P C6P -15.2(5) . . . . ?
C1Q P6 C1P C6P -118.1(5) . . . . ?
C1R P6 C1P C2P 170.2(4) . . . . ?
C1Q P6 C1P C2P 67.3(4) . . . . ?
C6P C1P C2P C3P -0.1(8) . . . . ?
P6 C1P C2P C3P 174.7(4) . . . . ?
C1P C2P C3P C4P 0.4(8) . . . . ?
C2P C3P C4P C5P -0.7(9) . . . . ?
C3P C4P C5P C6P 0.7(9) . . . . ?
C2P C1P C6P C5P 0.1(8) . . . . ?
P6 C1P C6P C5P -174.5(4) . . . . ?
C4P C5P C6P C1P -0.4(9) . . . . ?
C1P P6 C1Q C2Q -4.5(5) . . . . ?
C1R P6 C1Q C2Q -110.5(5) . . . . ?
C1P P6 C1Q C6Q 171.6(4) . . . . ?
C1R P6 C1Q C6Q 65.6(5) . . . . ?
C6Q C1Q C2Q C3Q -0.5(8) . . . . ?
P6 C1Q C2Q C3Q 175.6(4) . . . . ?
C1Q C2Q C3Q C4Q -0.9(9) . . . . ?
C2Q C3Q C4Q C5Q 1.6(9) . . . . ?
C3Q C4Q C5Q C6Q -0.8(9) . . . . ?
C4Q C5Q C6Q C1Q -0.7(9) . . . . ?
C2Q C1Q C6Q C5Q 1.4(8) . . . . ?
P6 C1Q C6Q C5Q -175.0(4) . . . . ?
C1P P6 C1R C2R 115.9(5) . . . . ?
C1Q P6 C1R C2R -136.3(5) . . . . ?
C1P P6 C1R C6R -64.2(5) . . . . ?
C1Q P6 C1R C6R 43.7(5) . . . . ?
C6R C1R C2R C3R -0.5(8) . . . . ?
P6 C1R C2R C3R 179.5(4) . . . . ?
C1R C2R C3R C4R 0.7(8) . . . . ?
C2R C3R C4R C5R -0.9(9) . . . . ?
C3R C4R C5R C6R 0.9(9) . . . . ?
C4R C5R C6R C1R -0.8(10) . . . . ?
C2R C1R C6R C5R 0.5(8) . . . . ?
P6 C1R C6R C5R -179.5(5) . . . . ?
C1T P7 C1S C6S 37.5(5) . . . . ?
C1U P7 C1S C6S 140.5(5) . . . . ?
C1T P7 C1S C2S -147.1(4) . . . . ?
C1U P7 C1S C2S -44.1(5) . . . . ?
C6S C1S C2S C3S -2.0(8) . . . . ?
P7 C1S C2S C3S -177.5(4) . . . . ?
C1S C2S C3S C4S -0.2(9) . . . . ?
C2S C3S C4S C5S 2.2(9) . . . . ?
C3S C4S C5S C6S -1.9(9) . . . . ?
C2S C1S C6S C5S 2.2(8) . . . . ?
P7 C1S C6S C5S 177.6(4) . . . . ?
C4S C5S C6S C1S -0.3(9) . . . . ?
C1U P7 C1T C2T 103.1(4) . . . . ?
C1S P7 C1T C2T -151.0(4) . . . . ?
C1U P7 C1T C6T -71.4(4) . . . . ?
C1S P7 C1T C6T 34.5(5) . . . . ?
C6T C1T C2T C3T -1.0(8) . . . . ?
P7 C1T C2T C3T -175.6(4) . . . . ?
C1T C2T C3T C4T -0.6(8) . . . . ?
C2T C3T C4T C5T 1.1(9) . . . . ?
C3T C4T C5T C6T -0.1(9) . . . . ?
C4T C5T C6T C1T -1.5(8) . . . . ?
C2T C1T C6T C5T 2.1(8) . . . . ?
P7 C1T C6T C5T 176.6(4) . . . . ?
C1T P7 C1U C6U -94.9(5) . . . . ?
C1S P7 C1U C6U 159.0(4) . . . . ?
C1T P7 C1U C2U 76.3(5) . . . . ?
C1S P7 C1U C2U -29.8(5) . . . . ?
C6U C1U C2U C3U -2.2(8) . . . . ?
P7 C1U C2U C3U -173.5(4) . . . . ?
C1U C2U C3U C4U 3.1(8) . . . . ?
C2U C3U C4U C5U -2.4(9) . . . . ?
C3U C4U C5U C6U 0.7(10) . . . . ?
C4U C5U C6U C1U 0.2(10) . . . . ?
C2U C1U C6U C5U 0.5(8) . . . . ?
P7 C1U C6U C5U 172.0(5) . . . . ?
C1W P8 C1V C6V -56.0(5) . . . . ?
C1Z P8 C1V C6V -157.8(4) . . . . ?
C1W P8 C1V C2V 128.4(4) . . . . ?
C1Z P8 C1V C2V 26.6(5) . . . . ?
C6V C1V C2V C3V 1.2(8) . . . . ?
P8 C1V C2V C3V 176.7(4) . . . . ?
C1V C2V C3V C4V -0.1(8) . . . . ?
C2V C3V C4V C5V -0.8(9) . . . . ?
C3V C4V C5V C6V 0.5(9) . . . . ?
C2V C1V C6V C5V -1.4(8) . . . . ?
P8 C1V C6V C5V -177.1(4) . . . . ?
C4V C5V C6V C1V 0.6(9) . . . . ?
C1Z P8 C1W C2W 99.7(5) . . . . ?
C1V P8 C1W C2W -6.2(5) . . . . ?
C1Z P8 C1W C6W -73.6(4) . . . . ?
C1V P8 C1W C6W -179.5(4) . . . . ?
C6W C1W C2W C3W -0.2(8) . . . . ?
P8 C1W C2W C3W -173.4(4) . . . . ?
C1W C2W C3W C4W 1.4(8) . . . . ?
C2W C3W C4W C5W -0.3(9) . . . . ?
C3W C4W C5W C6W -2.0(8) . . . . ?
C4W C5W C6W C1W 3.2(8) . . . . ?
C2W C1W C6W C5W -2.1(8) . . . . ?
P8 C1W C6W C5W 171.7(4) . . . . ?
C1W P8 C1Z C2Z -56.1(5) . . . . ?
C1V P8 C1Z C2Z 49.4(5) . . . . ?
C1W P8 C1Z C6Z 119.9(4) . . . . ?
C1V P8 C1Z C6Z -134.6(4) . . . . ?
C6Z C1Z C2Z C3Z 2.2(8) . . . . ?
P8 C1Z C2Z C3Z 178.3(4) . . . . ?
C1Z C2Z C3Z C4Z -0.5(9) . . . . ?
C2Z C3Z C4Z C5Z -1.0(9) . . . . ?
C3Z C4Z C5Z C6Z 0.8(9) . . . . ?
C4Z C5Z C6Z C1Z 0.8(8) . . . . ?
C2Z C1Z C6Z C5Z -2.3(8) . . . . ?
P8 C1Z C6Z C5Z -178.2(4) . . . . ?

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
C6B H6B O8 0.95 2.57 3.294(6) 133.6 1_565
C2V H2V O2 0.95 2.65 3.312(7) 126.9 1_545
C6Z H6Z O8 0.95 2.62 3.217(7) 120.9 .
O11 H11 O12 0.84 2.06 2.698(12) 132.9 .
O13 H13 O11 0.84 1.95 2.743(11) 156.7 .
C4C H4C O12 0.95 2.52 3.391(9) 151.7 1_655
C4R H4R O12 0.95 2.57 3.371(9) 142.8 .
C4D H4D O8 0.95 2.48 3.114(7) 124.1 1_465
C4J H4J O3 0.95 2.57 3.403(7) 147.2 2_766
C4W H4W O7 0.95 2.59 3.299(7) 131.5 2_665
C5I H5I O3 0.95 2.60 3.318(8) 132.9 2_666

_refine_diff_density_max         2.01
_refine_diff_density_min         -1.04
_refine_diff_density_rms         0.170

####################################################################### 
# 
# 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_reagacba
_database_code_depnum_ccdc_archive 'CCDC 1531339'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '(C160 H120 Ag4 N8 O8 P8 Re4), 3(C3 H6 O)'
_chemical_formula_sum            'C169 H138 Ag4 N8 O11 P8 Re4'
_chemical_formula_weight         3880.91

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.275(2)
_cell_length_b                   18.433(5)
_cell_length_c                   36.135(9)
_cell_angle_alpha                82.79(3)
_cell_angle_beta                 88.71(3)
_cell_angle_gamma                72.06(3)
_cell_volume                     7716(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    80(2)
_cell_measurement_reflns_used    2353
_cell_measurement_theta_min      2.71
_cell_measurement_theta_max      25.75

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_F_000             3808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    3.765
_shelx_estimated_absorpt_T_min   0.728
_shelx_estimated_absorpt_T_max   0.806
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20
;
_exptl_special_details           ?

_diffrn_ambient_temperature      80(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Xcalibur with CCD Ruby detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43104
_diffrn_reflns_av_unetI/netI     0.2861
_diffrn_reflns_av_R_equivalents  0.1210
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.719
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_full        25.500
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measured_fraction_theta_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_point_group_measured_fraction_full 0.959
_reflns_number_total             27573
_reflns_number_gt                12447
_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       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.20'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies,Version 1.171.36.20'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies,Version 1.171.36.20'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] 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         27573
_refine_ls_number_parameters     1663
_refine_ls_number_restraints     871
_refine_ls_R_factor_all          0.2192
_refine_ls_R_factor_gt           0.0925
_refine_ls_wR_factor_ref         0.1376
_refine_ls_wR_factor_gt          0.1054
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_restrained_S_all      0.908
_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
Re1 Re 0.64869(5) 0.86232(4) 0.13252(2) 0.01403(18) Uani 1 1 d . . . . .
C1 C 0.6428(12) 0.8933(9) 0.0789(5) 0.01403(18) Uani 1 1 d . . . . .
O1 O 0.6420(8) 0.9103(6) 0.0470(3) 0.01403(18) Uani 1 1 d . . . . .
C2 C 0.5873(15) 0.9672(11) 0.1428(7) 0.035(3) Uani 1 1 d . . . . .
O2 O 0.5485(9) 1.0325(7) 0.1478(4) 0.035(3) Uani 1 1 d . . . . .
Re2 Re 0.62321(5) 0.69403(4) 0.41882(2) 0.01272(18) Uani 1 1 d . . . . .
C3 C 0.6436(13) 0.6610(11) 0.4714(6) 0.025(3) Uani 1 1 d . . . . .
O3 O 0.6507(9) 0.6427(7) 0.5038(4) 0.025(3) Uani 1 1 d . . . . .
C4 C 0.5775(12) 0.8029(10) 0.4248(5) 0.016(2) Uani 1 1 d . . . . .
O4 O 0.5553(8) 0.8657(6) 0.4283(3) 0.016(2) Uani 1 1 d . . . . .
Re3 Re 0.83435(5) 0.12181(4) 0.36080(2) 0.01228(18) Uani 1 1 d . . . . .
C5 C 0.8513(14) 0.0853(11) 0.4128(6) 0.023(3) Uani 1 1 d . . . . .
O5 O 0.8623(9) 0.0668(7) 0.4446(4) 0.023(3) Uani 1 1 d . . . . .
C6 C 0.8714(13) 0.0188(10) 0.3478(6) 0.024(3) Uani 1 1 d . . . . .
O6 O 0.8934(8) -0.0433(6) 0.3398(4) 0.024(3) Uani 1 1 d . . . . .
Re4 Re 0.81726(5) 0.30263(4) 0.07759(2) 0.01362(18) Uani 1 1 d . . . . .
C7 C 0.8026(15) 0.3185(11) 0.0235(6) 0.025(3) Uani 1 1 d . . . . .
O7 O 0.7949(9) 0.3280(7) -0.0084(4) 0.025(3) Uani 1 1 d . . . . .
C8 C 0.8793(12) 0.1927(9) 0.0785(6) 0.019(3) Uani 1 1 d . . . . .
O8 O 0.9120(8) 0.1261(6) 0.0767(4) 0.019(3) Uani 1 1 d . . . . .
Ag1 Ag 0.64018(11) 0.76167(8) 0.27461(4) 0.0242(4) Uani 1 1 d . . . . .
N1 N 0.6677(11) 0.8088(10) 0.2224(5) 0.030(5) Uani 1 1 d . . . . .
C10 C 0.6598(13) 0.8298(11) 0.1895(7) 0.027(6) Uani 1 1 d . . . . .
N2 N 0.6004(11) 0.7270(9) 0.3282(4) 0.0242(4) Uani 1 1 d . . . . .
C20 C 0.6060(14) 0.7175(11) 0.3592(6) 0.0242(4) Uani 1 1 d . . . . .
Ag2 Ag 0.73577(11) 0.40556(8) 0.39316(5) 0.0288(4) Uani 1 1 d . . . . .
N3 N 0.7615(11) 0.2943(9) 0.3837(5) 0.027(3) Uani 1 1 d . . . . .
C30 C 0.7864(14) 0.2331(11) 0.3753(6) 0.027(3) Uani 1 1 d . . . . .
N4 N 0.7126(10) 0.5181(8) 0.3998(5) 0.024(3) Uani 1 1 d . . . . .
C40 C 0.6798(13) 0.5808(10) 0.4074(6) 0.024(3) Uani 1 1 d . . . . .
Ag3 Ag 0.82278(11) 0.26047(9) 0.22291(4) 0.0273(4) Uani 1 1 d . . . . .
N5 N 0.8473(10) 0.2923(8) 0.1669(4) 0.016(3) Uani 1 1 d . . . . .
C50 C 0.8349(13) 0.2952(10) 0.1355(5) 0.016(3) Uani 1 1 d . . . . .
N6 N 0.8188(10) 0.2066(8) 0.2763(4) 0.016(3) Uani 1 1 d . . . . .
C60 C 0.8210(13) 0.1744(10) 0.3062(5) 0.016(3) Uani 1 1 d . . . . .
Ag4 Ag 0.70651(11) 0.58756(8) 0.09819(5) 0.0234(4) Uani 1 1 d . . . . .
N7 N 0.7179(11) 0.6824(8) 0.1202(5) 0.0234(4) Uani 1 1 d . . . . .
C70 C 0.7003(13) 0.7459(10) 0.1236(6) 0.0234(4) Uani 1 1 d . . . . .
N8 N 0.7040(10) 0.4867(8) 0.0822(4) 0.019(3) Uani 1 1 d . . . . .
C80 C 0.7424(13) 0.4236(10) 0.0785(5) 0.019(3) Uani 1 1 d . . . . .
P1 P 0.8443(3) 0.8632(3) 0.14086(15) 0.0156(12) Uani 1 1 d . . . . .
C1A C 0.9232(13) 0.8744(10) 0.0966(5) 0.019(3) Uani 1 1 d . U . . .
C2A C 0.8727(12) 0.9340(10) 0.0698(5) 0.016(3) Uani 1 1 d . U . . .
H2A H 0.8012 0.9702 0.0743 0.020 Uiso 1 1 calc R U . . .
C3A C 0.9266(13) 0.9414(10) 0.0359(6) 0.022(3) Uani 1 1 d . U . . .
H3A H 0.8925 0.9835 0.0175 0.027 Uiso 1 1 calc R U . . .
C4A C 1.0289(13) 0.8881(10) 0.0288(6) 0.026(3) Uani 1 1 d . U . . .
H4A H 1.0651 0.8941 0.0056 0.031 Uiso 1 1 calc R U . . .
C5A C 1.0811(14) 0.8241(11) 0.0558(6) 0.028(4) Uani 1 1 d . U . . .
H5A H 1.1512 0.7866 0.0511 0.034 Uiso 1 1 calc R U . . .
C6A C 1.0263(13) 0.8189(10) 0.0888(6) 0.025(3) Uani 1 1 d . U . . .
H6A H 1.0586 0.7763 0.1072 0.030 Uiso 1 1 calc R U . . .
C1B C 0.8540(12) 0.9433(10) 0.1658(5) 0.016(3) Uani 1 1 d . U . . .
C2B C 0.8488(12) 0.9323(10) 0.2045(5) 0.018(3) Uani 1 1 d . U . . .
H2B H 0.8370 0.8863 0.2164 0.022 Uiso 1 1 calc R U . . .
C3B C 0.8607(12) 0.9878(9) 0.2268(5) 0.018(3) Uani 1 1 d . U . . .
H3B H 0.8587 0.9791 0.2532 0.022 Uiso 1 1 calc R U . . .
C4B C 0.8753(12) 1.0554(10) 0.2086(5) 0.019(3) Uani 1 1 d . U . . .
H4B H 0.8805 1.0948 0.2224 0.023 Uiso 1 1 calc R U . . .
C5B C 0.8820(12) 1.0641(10) 0.1706(5) 0.019(3) Uani 1 1 d . U . . .
H5B H 0.8947 1.1095 0.1584 0.023 Uiso 1 1 calc R U . . .
C6B C 0.8709(12) 1.0088(9) 0.1487(5) 0.018(3) Uani 1 1 d . U . . .
H6B H 0.8752 1.0172 0.1223 0.022 Uiso 1 1 calc R U . . .
C1C C 0.9467(12) 0.7834(10) 0.1701(5) 0.019(3) Uani 1 1 d . U . . .
C2C C 0.9255(14) 0.7132(11) 0.1805(6) 0.025(4) Uani 1 1 d . U . . .
H2C H 0.8550 0.7078 0.1730 0.030 Uiso 1 1 calc R U . . .
C3C C 1.0031(15) 0.6512(12) 0.2014(6) 0.039(4) Uani 1 1 d . U . . .
H3C H 0.9858 0.6048 0.2091 0.046 Uiso 1 1 calc R U . . .
C4C C 1.1059(15) 0.6599(12) 0.2104(6) 0.042(4) Uani 1 1 d . U . . .
H4C H 1.1626 0.6173 0.2233 0.051 Uiso 1 1 calc R U . . .
C5C C 1.1298(14) 0.7277(12) 0.2016(6) 0.036(4) Uani 1 1 d . U . . .
H5C H 1.1992 0.7328 0.2103 0.043 Uiso 1 1 calc R U . . .
C6C C 1.0534(13) 0.7893(11) 0.1799(6) 0.028(4) Uani 1 1 d . U . . .
H6C H 1.0731 0.8347 0.1719 0.033 Uiso 1 1 calc R U . . .
P2 P 0.4572(4) 0.8492(3) 0.13197(15) 0.0171(12) Uani 1 1 d . . . . .
C1D C 0.3423(13) 0.9273(10) 0.1087(6) 0.026(4) Uani 1 1 d . U . . .
C2D C 0.3592(14) 0.9834(10) 0.0818(6) 0.030(4) Uani 1 1 d . U . . .
H2D H 0.4348 0.9866 0.0792 0.036 Uiso 1 1 calc R U . . .
C3D C 0.2761(14) 1.0340(10) 0.0589(6) 0.031(4) Uani 1 1 d . U . . .
H3D H 0.2952 1.0680 0.0397 0.037 Uiso 1 1 calc R U . . .
C4D C 0.1640(14) 1.0353(11) 0.0641(6) 0.033(4) Uani 1 1 d . U . . .
H4D H 0.1039 1.0718 0.0494 0.039 Uiso 1 1 calc R U . . .
C5D C 0.1413(14) 0.9829(11) 0.0909(6) 0.032(4) Uani 1 1 d . U . . .
H5D H 0.0643 0.9836 0.0949 0.039 Uiso 1 1 calc R U . . .
C6D C 0.2289(13) 0.9282(11) 0.1125(6) 0.035(4) Uani 1 1 d . U . . .
H6D H 0.2106 0.8911 0.1302 0.043 Uiso 1 1 calc R U . . .
C1E C 0.4372(13) 0.7706(10) 0.1079(5) 0.0171(12) Uani 1 1 d . . . . .
C2E C 0.4760(13) 0.7691(10) 0.0713(5) 0.024(4) Uani 1 1 d . U . . .
H2E H 0.5112 0.8056 0.0604 0.028 Uiso 1 1 calc R U . . .
C3E C 0.4621(13) 0.7134(10) 0.0515(6) 0.029(3) Uani 1 1 d . U . . .
H3E H 0.4853 0.7138 0.0262 0.035 Uiso 1 1 calc R U . . .
C4E C 0.4166(14) 0.6575(11) 0.0664(6) 0.031(4) Uani 1 1 d . U . . .
H4E H 0.4148 0.6167 0.0530 0.037 Uiso 1 1 calc R U . . .
C5E C 0.3744(15) 0.6632(11) 0.1010(6) 0.036(4) Uani 1 1 d . U . . .
H5E H 0.3348 0.6283 0.1108 0.043 Uiso 1 1 calc R U . . .
C6E C 0.3852(14) 0.7170(11) 0.1234(6) 0.033(4) Uani 1 1 d . U . . .
H6E H 0.3580 0.7171 0.1482 0.040 Uiso 1 1 calc R U . . .
C1F C 0.4076(14) 0.8295(10) 0.1790(6) 0.023(3) Uani 1 1 d . U . . .
C2F C 0.4597(14) 0.7540(11) 0.1981(6) 0.026(4) Uani 1 1 d . U . . .
H2F H 0.5128 0.7175 0.1848 0.032 Uiso 1 1 calc R U . . .
C3F C 0.4377(13) 0.7312(11) 0.2343(6) 0.026(4) Uani 1 1 d . U . . .
H3F H 0.4725 0.6804 0.2461 0.032 Uiso 1 1 calc R U . . .
C4F C 0.3580(14) 0.7895(10) 0.2534(6) 0.030(4) Uani 1 1 d . U . . .
H4F H 0.3400 0.7775 0.2787 0.036 Uiso 1 1 calc R U . . .
C5F C 0.3077(15) 0.8627(12) 0.2351(6) 0.038(4) Uani 1 1 d . U . . .
H5F H 0.2549 0.9006 0.2477 0.045 Uiso 1 1 calc R U . . .
C6F C 0.3346(14) 0.8800(11) 0.1988(6) 0.031(4) Uani 1 1 d . U . . .
H6F H 0.2997 0.9307 0.1870 0.038 Uiso 1 1 calc R U . . .
P3 P 0.4294(4) 0.6860(3) 0.41917(15) 0.0161(12) Uani 1 1 d . . . . .
C1G C 0.3287(13) 0.7475(11) 0.3833(6) 0.022(4) Uani 1 1 d . U . . .
C2G C 0.3407(14) 0.8173(11) 0.3682(6) 0.027(4) Uani 1 1 d . U . . .
H2G H 0.4058 0.8304 0.3752 0.033 Uiso 1 1 calc R U . . .
C3G C 0.2602(14) 0.8691(12) 0.3432(6) 0.030(4) Uani 1 1 d . U . . .
H3G H 0.2709 0.9167 0.3335 0.036 Uiso 1 1 calc R U . . .
C4G C 0.1649(13) 0.8513(12) 0.3324(6) 0.033(4) Uani 1 1 d . U . . .
H4G H 0.1105 0.8868 0.3154 0.039 Uiso 1 1 calc R U . . .
C5G C 0.1490(13) 0.7847(12) 0.3459(6) 0.033(4) Uani 1 1 d . U . . .
H5G H 0.0848 0.7719 0.3379 0.040 Uiso 1 1 calc R U . . .
C6G C 0.2310(13) 0.7314(11) 0.3731(6) 0.029(4) Uani 1 1 d . U . . .
H6G H 0.2173 0.6854 0.3840 0.035 Uiso 1 1 calc R U . . .
C1H C 0.3464(13) 0.7048(10) 0.4613(5) 0.017(3) Uani 1 1 d . U . . .
C2H C 0.3712(13) 0.7476(9) 0.4864(5) 0.016(3) Uani 1 1 d . U . . .
H2H H 0.4377 0.7636 0.4828 0.020 Uiso 1 1 calc R U . . .
C3H C 0.3043(13) 0.7683(10) 0.5164(5) 0.023(3) Uani 1 1 d . U . . .
H3H H 0.3247 0.7976 0.5334 0.028 Uiso 1 1 calc R U . . .
C4H C 0.2056(14) 0.7460(10) 0.5219(6) 0.027(3) Uani 1 1 d . U . . .
H4H H 0.1592 0.7591 0.5429 0.033 Uiso 1 1 calc R U . . .
C5H C 0.1766(14) 0.7055(10) 0.4970(5) 0.025(3) Uani 1 1 d . U . . .
H5H H 0.1090 0.6909 0.5006 0.031 Uiso 1 1 calc R U . . .
C6H C 0.2450(13) 0.6844(10) 0.4656(5) 0.024(3) Uani 1 1 d . U . . .
H6H H 0.2230 0.6573 0.4479 0.029 Uiso 1 1 calc R U . . .
C1I C 0.4313(14) 0.5898(11) 0.4136(7) 0.030(3) Uani 1 1 d . U . . .
C2I C 0.4228(13) 0.5677(11) 0.3780(7) 0.037(3) Uani 1 1 d . U . . .
H2I H 0.4066 0.6047 0.3564 0.045 Uiso 1 1 calc R U . . .
C3I C 0.4392(14) 0.4879(11) 0.3752(7) 0.041(3) Uani 1 1 d . U . . .
H3I H 0.4320 0.4719 0.3517 0.049 Uiso 1 1 calc R U . . .
C4I C 0.4657(14) 0.4335(12) 0.4072(7) 0.040(3) Uani 1 1 d . U . . .
H4I H 0.4778 0.3807 0.4052 0.049 Uiso 1 1 calc R U . . .
C5I C 0.4738(14) 0.4559(11) 0.4398(7) 0.040(3) Uani 1 1 d . U . . .
H5I H 0.4935 0.4187 0.4613 0.048 Uiso 1 1 calc R U . . .
C6I C 0.4540(13) 0.5327(11) 0.4434(6) 0.033(3) Uani 1 1 d . U . . .
H6I H 0.4563 0.5467 0.4678 0.040 Uiso 1 1 calc R U . . .
P4 P 0.8190(4) 0.6965(3) 0.41361(15) 0.0166(12) Uani 1 1 d . . . . .
C1J C 0.9357(14) 0.6094(11) 0.4291(6) 0.025(4) Uani 1 1 d . U . . .
C2J C 0.9129(15) 0.5462(11) 0.4477(6) 0.030(4) Uani 1 1 d . U . . .
H2J H 0.8361 0.5484 0.4534 0.036 Uiso 1 1 calc R U . . .
C3J C 1.0044(13) 0.4766(10) 0.4586(6) 0.028(4) Uani 1 1 d . U . . .
H3J H 0.9884 0.4336 0.4722 0.034 Uiso 1 1 calc R U . . .
C4J C 1.1152(13) 0.4725(10) 0.4493(5) 0.027(4) Uani 1 1 d . U . . .
H4J H 1.1765 0.4265 0.4556 0.033 Uiso 1 1 calc R U . . .
C5J C 1.1343(14) 0.5368(11) 0.4306(6) 0.030(4) Uani 1 1 d . U . . .
H5J H 1.2109 0.5354 0.4252 0.036 Uiso 1 1 calc R U . . .
C6J C 1.0453(13) 0.6050(11) 0.4191(6) 0.031(4) Uani 1 1 d . U . . .
H6J H 1.0613 0.6471 0.4046 0.037 Uiso 1 1 calc R U . . .
C1K C 0.8518(14) 0.7650(11) 0.4406(6) 0.028(3) Uani 1 1 d . U . . .
C2K C 0.8109(14) 0.7717(11) 0.4762(6) 0.030(3) Uani 1 1 d . U . . .
H2K H 0.7680 0.7393 0.4864 0.036 Uiso 1 1 calc R U . . .
C3K C 0.8296(14) 0.8236(11) 0.4975(6) 0.034(3) Uani 1 1 d . U . . .
H3K H 0.7990 0.8266 0.5219 0.040 Uiso 1 1 calc R U . . .
C4K C 0.8923(14) 0.8710(11) 0.4840(6) 0.032(3) Uani 1 1 d . U . . .
H4K H 0.9055 0.9071 0.4985 0.039 Uiso 1 1 calc R U . . .
C5K C 0.9346(15) 0.8645(11) 0.4493(6) 0.034(3) Uani 1 1 d . U . . .
H5K H 0.9776 0.8971 0.4394 0.041 Uiso 1 1 calc R U . . .
C6K C 0.9174(14) 0.8114(10) 0.4272(6) 0.033(3) Uani 1 1 d . U . . .
H6K H 0.9506 0.8073 0.4032 0.039 Uiso 1 1 calc R U . . .
C1L C 0.8563(13) 0.7190(10) 0.3666(6) 0.021(3) Uani 1 1 d . U . . .
C2L C 0.9076(13) 0.6628(11) 0.3444(6) 0.026(4) Uani 1 1 d . U . . .
H2L H 0.9293 0.6107 0.3553 0.031 Uiso 1 1 calc R U . . .
C3L C 0.9285(14) 0.6779(11) 0.3078(6) 0.031(4) Uani 1 1 d . U . . .
H3L H 0.9665 0.6365 0.2943 0.037 Uiso 1 1 calc R U . . .
C4L C 0.8956(12) 0.7531(10) 0.2891(5) 0.020(3) Uani 1 1 d . U . . .
H4L H 0.9074 0.7640 0.2632 0.024 Uiso 1 1 calc R U . . .
C5L C 0.8445(12) 0.8104(10) 0.3113(5) 0.017(3) Uani 1 1 d . U . . .
H5L H 0.8241 0.8625 0.3003 0.021 Uiso 1 1 calc R U . . .
C6L C 0.8225(13) 0.7954(10) 0.3479(5) 0.020(3) Uani 1 1 d . U . . .
H6L H 0.7837 0.8367 0.3613 0.024 Uiso 1 1 calc R U . . .
P5 P 1.0306(3) 0.1230(3) 0.35911(14) 0.0131(11) Uani 1 1 d . . . . .
C1M C 1.1106(12) 0.1010(9) 0.3165(5) 0.014(3) Uani 1 1 d . U . . .
C2M C 1.0739(12) 0.0682(9) 0.2892(5) 0.014(3) Uani 1 1 d . U . . .
H2M H 1.0023 0.0584 0.2918 0.017 Uiso 1 1 calc R U . . .
C3M C 1.1380(12) 0.0489(10) 0.2579(5) 0.022(3) Uani 1 1 d . U . . .
H3M H 1.1129 0.0243 0.2397 0.027 Uiso 1 1 calc R U . . .
C4M C 1.2409(13) 0.0666(10) 0.2537(6) 0.028(4) Uani 1 1 d . U . . .
H4M H 1.2844 0.0553 0.2319 0.034 Uiso 1 1 calc R U . . .
C5M C 1.2811(13) 0.1001(10) 0.2804(5) 0.023(3) Uani 1 1 d . U . . .
H5M H 1.3518 0.1109 0.2776 0.027 Uiso 1 1 calc R U . . .
C6M C 1.2156(13) 0.1166(10) 0.3105(5) 0.023(3) Uani 1 1 d . U . . .
H6M H 1.2417 0.1403 0.3289 0.028 Uiso 1 1 calc R U . . .
C1N C 1.1301(13) 0.0571(10) 0.3941(6) 0.022(4) Uani 1 1 d . U . . .
C2N C 1.1171(13) -0.0148(10) 0.4071(5) 0.017(3) Uani 1 1 d . U . . .
H2N H 1.0561 -0.0289 0.3975 0.021 Uiso 1 1 calc R U . . .
C3N C 1.1916(13) -0.0654(10) 0.4336(6) 0.026(4) Uani 1 1 d . U . . .
H3N H 1.1781 -0.1123 0.4430 0.031 Uiso 1 1 calc R U . . .
C4N C 1.2840(13) -0.0491(11) 0.4465(6) 0.028(4) Uani 1 1 d . U . . .
H4N H 1.3331 -0.0839 0.4652 0.034 Uiso 1 1 calc R U . . .
C5N C 1.3060(14) 0.0182(11) 0.4322(6) 0.027(4) Uani 1 1 d . U . . .
H5N H 1.3742 0.0275 0.4392 0.032 Uiso 1 1 calc R U . . .
C6N C 1.2277(13) 0.0718(10) 0.4077(5) 0.022(4) Uani 1 1 d . U . . .
H6N H 1.2397 0.1199 0.3998 0.026 Uiso 1 1 calc R U . . .
C1O C 1.0417(13) 0.2166(10) 0.3661(6) 0.023(4) Uani 1 1 d . U . . .
C2O C 1.0358(12) 0.2723(10) 0.3365(6) 0.023(4) Uani 1 1 d . U . . .
H2O H 1.0331 0.2599 0.3118 0.028 Uiso 1 1 calc R U . . .
C3O C 1.0338(13) 0.3473(10) 0.3415(6) 0.031(4) Uani 1 1 d . U . . .
H3O H 1.0317 0.3848 0.3207 0.038 Uiso 1 1 calc R U . . .
C4O C 1.0350(14) 0.3640(11) 0.3761(6) 0.035(4) Uani 1 1 d . U . . .
H4O H 1.0318 0.4148 0.3797 0.042 Uiso 1 1 calc R U . . .
C5O C 1.0406(13) 0.3097(10) 0.4077(6) 0.030(4) Uani 1 1 d . U . . .
H5O H 1.0429 0.3229 0.4322 0.036 Uiso 1 1 calc R U . . .
C6O C 1.0427(12) 0.2364(10) 0.4018(6) 0.026(4) Uani 1 1 d . U . . .
H6O H 1.0449 0.1991 0.4227 0.031 Uiso 1 1 calc R U . . .
P6 P 0.6332(3) 0.1332(3) 0.35790(14) 0.0135(10) Uani 1 1 d . . . . .
C1P C 0.5686(12) 0.1263(10) 0.4034(5) 0.0135(10) Uani 1 1 d . U . . .
C2P C 0.6122(13) 0.0606(10) 0.4296(5) 0.019(2) Uani 1 1 d . U . . .
H2P H 0.6714 0.0178 0.4225 0.022 Uiso 1 1 calc R U . . .
C3P C 0.5716(13) 0.0577(10) 0.4641(5) 0.021(3) Uani 1 1 d . U . . .
H3P H 0.6027 0.0126 0.4811 0.025 Uiso 1 1 calc R U . . .
C4P C 0.4851(13) 0.1188(10) 0.4761(5) 0.019(3) Uani 1 1 d . U . . .
H4P H 0.4563 0.1149 0.5006 0.023 Uiso 1 1 calc R U . . .
C5P C 0.4425(13) 0.1846(10) 0.4516(5) 0.019(2) Uani 1 1 d . U . . .
H5P H 0.3857 0.2275 0.4596 0.023 Uiso 1 1 calc R U . . .
C6P C 0.4830(12) 0.1890(10) 0.4144(5) 0.018(2) Uani 1 1 d . U . . .
H6P H 0.4522 0.2340 0.3973 0.021 Uiso 1 1 calc R U . . .
C1Q C 0.6006(13) 0.0599(10) 0.3347(6) 0.020(3) Uani 1 1 d . U . . .
C2Q C 0.5440(13) 0.0086(10) 0.3511(6) 0.025(4) Uani 1 1 d . U . . .
H2Q H 0.5214 0.0102 0.3764 0.030 Uiso 1 1 calc R U . . .
C3Q C 0.5206(13) -0.0441(10) 0.3310(6) 0.024(4) Uani 1 1 d . U . . .
H3Q H 0.4846 -0.0797 0.3426 0.029 Uiso 1 1 calc R U . . .
C4Q C 0.5503(13) -0.0444(10) 0.2937(6) 0.025(4) Uani 1 1 d . U . . .
H4Q H 0.5307 -0.0788 0.2795 0.030 Uiso 1 1 calc R U . . .
C5Q C 0.6061(12) 0.0028(10) 0.2770(6) 0.023(3) Uani 1 1 d . U . . .
H5Q H 0.6296 -0.0002 0.2519 0.027 Uiso 1 1 calc R U . . .
C6Q C 0.6280(13) 0.0542(10) 0.2966(6) 0.022(3) Uani 1 1 d . U . . .
H6Q H 0.6642 0.0890 0.2841 0.026 Uiso 1 1 calc R U . . .
C1R C 0.5321(13) 0.2186(10) 0.3315(5) 0.020(3) Uani 1 1 d . U . . .
C2R C 0.5645(13) 0.2826(10) 0.3179(5) 0.020(3) Uani 1 1 d . U . . .
H2R H 0.6403 0.2836 0.3216 0.024 Uiso 1 1 calc R U . . .
C3R C 0.4823(12) 0.3461(10) 0.2983(5) 0.023(3) Uani 1 1 d . U . . .
H3R H 0.5042 0.3893 0.2877 0.028 Uiso 1 1 calc R U . . .
C4R C 0.3728(13) 0.3465(10) 0.2943(5) 0.026(3) Uani 1 1 d . U . . .
H4R H 0.3172 0.3917 0.2830 0.031 Uiso 1 1 calc R U . . .
C5R C 0.3419(13) 0.2842(10) 0.3060(6) 0.025(3) Uani 1 1 d . U . . .
H5R H 0.2672 0.2832 0.3005 0.030 Uiso 1 1 calc R U . . .
C6R C 0.4193(12) 0.2207(10) 0.3263(5) 0.022(3) Uani 1 1 d . U . . .
H6R H 0.3947 0.1785 0.3366 0.027 Uiso 1 1 calc R U . . .
P7 P 1.0053(3) 0.3203(3) 0.07690(14) 0.0138(11) Uani 1 1 d . . . . .
C1S C 1.0003(12) 0.4180(10) 0.0842(6) 0.021(3) Uani 1 1 d . U . . .
C2S C 0.9997(12) 0.4401(10) 0.1193(6) 0.025(3) Uani 1 1 d . U . . .
H2S H 1.0070 0.4019 0.1402 0.031 Uiso 1 1 calc R U . . .
C3S C 0.9893(13) 0.5129(10) 0.1261(6) 0.026(3) Uani 1 1 d . U . . .
H3S H 0.9868 0.5256 0.1509 0.032 Uiso 1 1 calc R U . . .
C4S C 0.9828(12) 0.5668(10) 0.0962(6) 0.024(3) Uani 1 1 d . U . . .
H4S H 0.9803 0.6172 0.1002 0.029 Uiso 1 1 calc R U . . .
C5S C 0.9796(12) 0.5503(10) 0.0599(6) 0.022(3) Uani 1 1 d . U . . .
H5S H 0.9724 0.5891 0.0394 0.027 Uiso 1 1 calc R U . . .
C6S C 0.9873(12) 0.4759(10) 0.0544(6) 0.021(3) Uani 1 1 d . U . . .
H6S H 0.9836 0.4641 0.0297 0.026 Uiso 1 1 calc R U . . .
C1T C 1.0936(12) 0.3031(10) 0.0362(5) 0.017(3) Uani 1 1 d . U . . .
C2T C 1.0792(12) 0.2523(9) 0.0114(5) 0.019(3) Uani 1 1 d . U . . .
H2T H 1.0173 0.2316 0.0148 0.023 Uiso 1 1 calc R U . . .
C3T C 1.1512(12) 0.2331(10) -0.0168(5) 0.022(3) Uani 1 1 d . U . . .
H3T H 1.1437 0.1958 -0.0316 0.027 Uiso 1 1 calc R U . . .
C4T C 1.2363(13) 0.2673(10) -0.0244(6) 0.024(3) Uani 1 1 d . U . . .
H4T H 1.2848 0.2538 -0.0449 0.029 Uiso 1 1 calc R U . . .
C5T C 1.2535(13) 0.3203(10) -0.0031(6) 0.023(3) Uani 1 1 d . U . . .
H5T H 1.3106 0.3449 -0.0086 0.028 Uiso 1 1 calc R U . . .
C6T C 1.1812(12) 0.3347(10) 0.0266(5) 0.020(3) Uani 1 1 d . U . . .
H6T H 1.1924 0.3697 0.0422 0.023 Uiso 1 1 calc R U . . .
C1U C 1.1135(13) 0.2605(11) 0.1118(6) 0.027(3) Uani 1 1 d . U . . .
C2U C 1.2054(13) 0.2838(11) 0.1218(6) 0.026(3) Uani 1 1 d . U . . .
H2U H 1.2109 0.3331 0.1126 0.032 Uiso 1 1 calc R U . . .
C3U C 1.2876(13) 0.2332(11) 0.1455(6) 0.029(3) Uani 1 1 d . U . . .
H3U H 1.3486 0.2503 0.1527 0.035 Uiso 1 1 calc R U . . .
C4U C 1.2897(13) 0.1605(11) 0.1598(6) 0.031(3) Uani 1 1 d . U . . .
H4U H 1.3502 0.1275 0.1756 0.037 Uiso 1 1 calc R U . . .
C5U C 1.1959(13) 0.1377(11) 0.1495(6) 0.032(3) Uani 1 1 d . U . . .
H5U H 1.1928 0.0874 0.1579 0.039 Uiso 1 1 calc R U . . .
C6U C 1.1088(14) 0.1887(11) 0.1271(6) 0.031(3) Uani 1 1 d . U . . .
H6U H 1.0434 0.1741 0.1221 0.037 Uiso 1 1 calc R U . . .
P8 P 0.6278(4) 0.2901(3) 0.08644(15) 0.0185(12) Uani 1 1 d . . . . .
C1V C 0.5970(13) 0.2665(11) 0.1349(5) 0.023(3) Uani 1 1 d . U . . .
C2V C 0.6035(12) 0.1924(11) 0.1513(6) 0.024(4) Uani 1 1 d . U . . .
H2V H 0.6204 0.1525 0.1358 0.029 Uiso 1 1 calc R U . . .
C3V C 0.5859(13) 0.1730(11) 0.1903(6) 0.026(4) Uani 1 1 d . U . . .
H3V H 0.5898 0.1221 0.2004 0.031 Uiso 1 1 calc R U . . .
C4V C 0.5635(13) 0.2307(11) 0.2121(6) 0.027(4) Uani 1 1 d . U . . .
H4V H 0.5488 0.2202 0.2379 0.032 Uiso 1 1 calc R U . . .
C5V C 0.5615(13) 0.3025(11) 0.1981(5) 0.023(4) Uani 1 1 d . U . . .
H5V H 0.5480 0.3412 0.2142 0.028 Uiso 1 1 calc R U . . .
C6V C 0.5792(12) 0.3208(11) 0.1597(5) 0.019(3) Uani 1 1 d . U . . .
H6V H 0.5789 0.3715 0.1506 0.022 Uiso 1 1 calc R U . . .
C1W C 0.5041(13) 0.3714(10) 0.0710(6) 0.024(4) Uani 1 1 d . U . . .
C2W C 0.4078(12) 0.4021(9) 0.0930(6) 0.023(3) Uani 1 1 d . U . . .
H2W H 0.4087 0.3838 0.1188 0.028 Uiso 1 1 calc R U . . .
C3W C 0.3108(14) 0.4595(10) 0.0767(6) 0.028(4) Uani 1 1 d . U . . .
H3W H 0.2463 0.4800 0.0915 0.034 Uiso 1 1 calc R U . . .
C4W C 0.3097(14) 0.4856(11) 0.0396(6) 0.032(4) Uani 1 1 d . U . . .
H4W H 0.2433 0.5241 0.0291 0.039 Uiso 1 1 calc R U . . .
C5W C 0.3993(13) 0.4592(10) 0.0172(6) 0.029(4) Uani 1 1 d . U . . .
H5W H 0.3970 0.4784 -0.0085 0.035 Uiso 1 1 calc R U . . .
C6W C 0.4961(13) 0.4018(10) 0.0337(6) 0.025(4) Uani 1 1 d . U . . .
H6W H 0.5597 0.3827 0.0183 0.030 Uiso 1 1 calc R U . . .
C1Z C 0.5948(13) 0.2172(10) 0.0628(5) 0.018(3) Uani 1 1 d . U . . .
C2Z C 0.4865(13) 0.2071(10) 0.0693(5) 0.024(3) Uani 1 1 d . U . . .
H2Z H 0.4370 0.2357 0.0865 0.028 Uiso 1 1 calc R U . . .
C3Z C 0.4501(15) 0.1565(10) 0.0512(6) 0.027(4) Uani 1 1 d . U . . .
H3Z H 0.3758 0.1515 0.0551 0.032 Uiso 1 1 calc R U . . .
C4Z C 0.5246(14) 0.1137(10) 0.0274(6) 0.028(4) Uani 1 1 d . U . . .
H4Z H 0.5036 0.0754 0.0165 0.033 Uiso 1 1 calc R U . . .
C5Z C 0.6280(14) 0.1245(10) 0.0188(6) 0.029(4) Uani 1 1 d . U . . .
H5Z H 0.6755 0.0981 0.0005 0.035 Uiso 1 1 calc R U . . .
C6Z C 0.6616(13) 0.1763(9) 0.0382(5) 0.019(3) Uani 1 1 d . U . . .
H6Z H 0.7350 0.1823 0.0336 0.023 Uiso 1 1 calc R U . . .
O11 O 0.6772(12) 0.4205(10) 0.2345(5) 0.076(5) Uiso 1 1 d . . . . .
C11 C 0.6781(19) 0.4714(15) 0.2042(8) 0.063(7) Uiso 1 1 d . . . . .
C21 C 0.5602(17) 0.5203(13) 0.1910(7) 0.075(8) Uiso 1 1 d . . . . .
H21A H 0.5540 0.5218 0.1639 0.112 Uiso 1 1 calc R U . . .
H21B H 0.5464 0.5726 0.1972 0.112 Uiso 1 1 calc R U . . .
H21C H 0.5032 0.4985 0.2032 0.112 Uiso 1 1 calc R U . . .
C31 C 0.7798(18) 0.4869(14) 0.1908(8) 0.084(9) Uiso 1 1 d . . . . .
H31A H 0.7761 0.5392 0.1948 0.125 Uiso 1 1 calc R U . . .
H31B H 0.7869 0.4820 0.1641 0.125 Uiso 1 1 calc R U . . .
H31C H 0.8465 0.4501 0.2043 0.125 Uiso 1 1 calc R U . . .
O12 O 1.0769(14) 0.4343(11) 0.2427(6) 0.102(7) Uiso 1 1 d . . . . .
C12 C 1.133(2) 0.3840(15) 0.2242(8) 0.070(8) Uiso 1 1 d . . . . .
C22 C 1.0999(17) 0.3110(13) 0.2266(7) 0.067(7) Uiso 1 1 d . . . . .
H22A H 1.1562 0.2697 0.2422 0.101 Uiso 1 1 calc R U . . .
H22B H 1.0982 0.2963 0.2016 0.101 Uiso 1 1 calc R U . . .
H22C H 1.0240 0.3195 0.2377 0.101 Uiso 1 1 calc R U . . .
C32 C 1.2271(18) 0.3988(14) 0.2005(8) 0.080(8) Uiso 1 1 d . . . . .
H32A H 1.2365 0.4480 0.2048 0.120 Uiso 1 1 calc R U . . .
H32B H 1.2080 0.4006 0.1742 0.120 Uiso 1 1 calc R U . . .
H32C H 1.2987 0.3574 0.2070 0.120 Uiso 1 1 calc R U . . .
O13 O 0.6915(13) 0.6005(11) 0.2524(6) 0.095(6) Uiso 1 1 d . . . . .
C13 C 0.703(2) 0.5489(18) 0.2848(10) 0.091(10) Uiso 1 1 d . . . . .
C23 C 0.8209(17) 0.5050(13) 0.2965(7) 0.068(7) Uiso 1 1 d . . . . .
H23A H 0.8737 0.5153 0.2773 0.101 Uiso 1 1 calc R U . . .
H23B H 0.8290 0.4500 0.3000 0.101 Uiso 1 1 calc R U . . .
H23C H 0.8388 0.5204 0.3201 0.101 Uiso 1 1 calc R U . . .
C33 C 0.6099(18) 0.5358(14) 0.2983(8) 0.080(8) Uiso 1 1 d . . . . .
H33A H 0.5473 0.5573 0.2799 0.120 Uiso 1 1 calc R U . . .
H33B H 0.5891 0.5601 0.3211 0.120 Uiso 1 1 calc R U . . .
H33C H 0.6238 0.4803 0.3040 0.120 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Re1 C2 1.927(19) . ?
Re1 C1 1.946(19) . ?
Re1 C10 2.07(2) . ?
Re1 C70 2.106(17) . ?
Re1 P1 2.432(4) . ?
Re1 P2 2.437(4) . ?
C1 O1 1.16(2) . ?
C2 O2 1.19(2) . ?
Re2 C3 1.92(2) . ?
Re2 C4 1.948(16) . ?
Re2 C40 2.079(17) . ?
Re2 C20 2.14(2) . ?
Re2 P4 2.420(4) . ?
Re2 P3 2.428(4) . ?
C3 O3 1.17(2) . ?
C4 O4 1.128(17) . ?
Re3 C5 1.91(2) . ?
Re3 C6 1.927(17) . ?
Re3 C60 2.07(2) . ?
Re3 C30 2.08(2) . ?
Re3 P5 2.415(4) . ?
Re3 P6 2.417(4) . ?
C5 O5 1.16(2) . ?
C6 O6 1.164(18) . ?
Re4 C8 1.929(16) . ?
Re4 C7 1.94(2) . ?
Re4 C50 2.093(18) . ?
Re4 C80 2.139(17) . ?
Re4 P8 2.417(4) . ?
Re4 P7 2.428(4) . ?
C7 O7 1.15(2) . ?
C8 O8 1.178(17) . ?
Ag1 N1 2.041(19) . ?
Ag1 N2 2.057(16) . ?
N1 C10 1.20(3) . ?
N2 C20 1.11(2) . ?
Ag2 N3 2.048(16) . ?
Ag2 N4 2.050(14) . ?
N3 C30 1.15(2) . ?
N4 C40 1.166(19) . ?
Ag3 N6 2.064(16) . ?
Ag3 N5 2.076(15) . ?
N5 C50 1.14(2) . ?
N6 C60 1.16(2) . ?
Ag4 N8 2.025(13) . ?
Ag4 N7 2.052(13) . ?
N7 C70 1.146(19) . ?
N8 C80 1.135(19) . ?
P1 C1C 1.842(18) . ?
P1 C1B 1.858(16) . ?
P1 C1A 1.873(19) . ?
C1A C2A 1.37(2) . ?
C1A C6A 1.41(2) . ?
C2A C3A 1.39(2) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.38(2) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.43(3) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.36(2) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C6B 1.36(2) . ?
C1B C2B 1.39(2) . ?
C2B C3B 1.42(2) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.39(2) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.37(2) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.40(2) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.40(2) . ?
C1C C6C 1.405(19) . ?
C2C C3C 1.39(3) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.37(2) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.37(3) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.39(3) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1D 1.808(19) . ?
P2 C1F 1.824(19) . ?
P2 C1E 1.860(16) . ?
C1D C2D 1.39(3) . ?
C1D C6D 1.39(2) . ?
C2D C3D 1.36(3) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.38(2) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.37(3) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.40(3) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C6E 1.39(2) . ?
C1E C2E 1.39(2) . ?
C2E C3E 1.38(2) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.36(2) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.35(3) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.39(2) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.34(2) . ?
C1F C2F 1.43(2) . ?
C2F C3F 1.37(2) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.45(2) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.38(3) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.37(3) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
P3 C1I 1.803(17) . ?
P3 C1H 1.822(18) . ?
P3 C1G 1.83(2) . ?
C1G C2G 1.38(2) . ?
C1G C6G 1.39(2) . ?
C2G C3G 1.40(3) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.38(2) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.33(2) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.46(3) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.37(2) . ?
C1H C6H 1.406(19) . ?
C2H C3H 1.36(2) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.40(2) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.36(2) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.42(2) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C6I 1.38(3) . ?
C1I C2I 1.41(3) . ?
C2I C3I 1.44(2) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.40(3) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.31(3) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.38(2) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
P4 C1L 1.78(2) . ?
P4 C1J 1.827(19) . ?
P4 C1K 1.831(18) . ?
C1J C6J 1.37(2) . ?
C1J C2J 1.37(2) . ?
C2J C3J 1.44(2) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.37(2) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.37(2) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.41(2) . ?
C5J H5J 0.9500 . ?
C6J H6J 0.9500 . ?
C1K C2K 1.37(3) . ?
C1K C6K 1.38(2) . ?
C2K C3K 1.38(2) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.37(2) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.35(3) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.40(2) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1L C2L 1.38(2) . ?
C1L C6L 1.42(2) . ?
C2L C3L 1.35(3) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.40(2) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.39(2) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.35(2) . ?
C5L H5L 0.9500 . ?
C6L H6L 0.9500 . ?
P5 C1O 1.822(17) . ?
P5 C1N 1.827(19) . ?
P5 C1M 1.830(17) . ?
C1M C2M 1.37(2) . ?
C1M C6M 1.410(19) . ?
C2M C3M 1.38(2) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.398(19) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.38(2) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.35(2) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1N C2N 1.40(2) . ?
C1N C6N 1.418(19) . ?
C2N C3N 1.38(2) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.365(19) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.39(2) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.39(2) . ?
C5N H5N 0.9500 . ?
C6N H6N 0.9500 . ?
C1O C2O 1.37(3) . ?
C1O C6O 1.39(2) . ?
C2O C3O 1.41(2) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.32(3) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.41(3) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.39(2) . ?
C5O H5O 0.9500 . ?
C6O H6O 0.9500 . ?
P6 C1P 1.816(18) . ?
P6 C1Q 1.822(17) . ?
P6 C1R 1.844(19) . ?
C1P C6P 1.39(2) . ?
C1P C2P 1.41(2) . ?
C2P C3P 1.33(2) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.39(2) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.37(2) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.42(2) . ?
C5P H5P 0.9500 . ?
C6P H6P 0.9500 . ?
C1Q C2Q 1.40(2) . ?
C1Q C6Q 1.42(2) . ?
C2Q C3Q 1.38(2) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.39(2) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.34(2) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.34(2) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?
C1R C2R 1.39(2) . ?
C1R C6R 1.389(18) . ?
C2R C3R 1.41(2) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.353(18) . ?
C3R H3R 0.9500 . ?
C4R C5R 1.33(2) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.39(2) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
P7 C1T 1.808(18) . ?
P7 C1S 1.833(16) . ?
P7 C1U 1.842(19) . ?
C1S C2S 1.38(2) . ?
C1S C6S 1.39(2) . ?
C2S C3S 1.36(2) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.36(3) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.38(2) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.39(2) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C1T C6T 1.390(19) . ?
C1T C2T 1.43(2) . ?
C2T C3T 1.34(2) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.38(2) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.38(2) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.38(2) . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?
C1U C6U 1.39(2) . ?
C1U C2U 1.39(2) . ?
C2U C3U 1.37(2) . ?
C2U H2U 0.9500 . ?
C3U C4U 1.37(2) . ?
C3U H3U 0.9500 . ?
C4U C5U 1.41(2) . ?
C4U H4U 0.9500 . ?
C5U C6U 1.38(2) . ?
C5U H5U 0.9500 . ?
C6U H6U 0.9500 . ?
P8 C1V 1.81(2) . ?
P8 C1W 1.815(19) . ?
P8 C1Z 1.827(16) . ?
C1V C6V 1.39(2) . ?
C1V C2V 1.40(2) . ?
C2V C3V 1.44(2) . ?
C2V H2V 0.9500 . ?
C3V C4V 1.36(2) . ?
C3V H3V 0.9500 . ?
C4V C5V 1.35(2) . ?
C4V H4V 0.9500 . ?
C5V C6V 1.42(2) . ?
C5V H5V 0.9500 . ?
C6V H6V 0.9500 . ?
C1W C6W 1.38(3) . ?
C1W C2W 1.42(2) . ?
C2W C3W 1.41(2) . ?
C2W H2W 0.9500 . ?
C3W C4W 1.36(3) . ?
C3W H3W 0.9500 . ?
C4W C5W 1.35(2) . ?
C4W H4W 0.9500 . ?
C5W C6W 1.41(2) . ?
C5W H5W 0.9500 . ?
C6W H6W 0.9500 . ?
C1Z C6Z 1.34(2) . ?
C1Z C2Z 1.409(19) . ?
C2Z C3Z 1.39(2) . ?
C2Z H2Z 0.9500 . ?
C3Z C4Z 1.38(2) . ?
C3Z H3Z 0.9500 . ?
C4Z C5Z 1.37(2) . ?
C4Z H4Z 0.9500 . ?
C5Z C6Z 1.41(2) . ?
C5Z H5Z 0.9500 . ?
C6Z H6Z 0.9500 . ?
O11 C11 1.35(3) . ?
C11 C31 1.43(3) . ?
C11 C21 1.50(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
O12 C12 1.23(3) . ?
C12 C32 1.50(3) . ?
C12 C22 1.51(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
O13 C13 1.39(4) . ?
C13 C33 1.31(3) . ?
C13 C23 1.47(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Re1 C1 92.3(9) . . ?
C2 Re1 C10 87.7(9) . . ?
C1 Re1 C10 178.3(6) . . ?
C2 Re1 C70 174.1(7) . . ?
C1 Re1 C70 90.2(7) . . ?
C10 Re1 C70 90.0(8) . . ?
C2 Re1 P1 91.8(5) . . ?
C1 Re1 P1 95.0(4) . . ?
C10 Re1 P1 83.3(4) . . ?
C70 Re1 P1 93.2(4) . . ?
C2 Re1 P2 91.0(5) . . ?
C1 Re1 P2 92.2(4) . . ?
C10 Re1 P2 89.6(4) . . ?
C70 Re1 P2 83.6(4) . . ?
P1 Re1 P2 172.17(19) . . ?
O1 C1 Re1 178.3(15) . . ?
O2 C2 Re1 178(2) . . ?
C3 Re2 C4 93.9(8) . . ?
C3 Re2 C40 91.0(8) . . ?
C4 Re2 C40 174.1(8) . . ?
C3 Re2 C20 173.6(7) . . ?
C4 Re2 C20 92.6(8) . . ?
C40 Re2 C20 82.6(8) . . ?
C3 Re2 P4 91.3(5) . . ?
C4 Re2 P4 88.2(4) . . ?
C40 Re2 P4 88.4(4) . . ?
C20 Re2 P4 88.9(4) . . ?
C3 Re2 P3 92.3(5) . . ?
C4 Re2 P3 95.1(4) . . ?
C40 Re2 P3 88.0(4) . . ?
C20 Re2 P3 87.1(4) . . ?
P4 Re2 P3 175.01(17) . . ?
O3 C3 Re2 176.8(16) . . ?
O4 C4 Re2 177.4(13) . . ?
C5 Re3 C6 91.8(9) . . ?
C5 Re3 C60 172.2(7) . . ?
C6 Re3 C60 95.2(8) . . ?
C5 Re3 C30 87.8(8) . . ?
C6 Re3 C30 177.3(7) . . ?
C60 Re3 C30 85.4(7) . . ?
C5 Re3 P5 90.2(5) . . ?
C6 Re3 P5 94.1(5) . . ?
C60 Re3 P5 86.0(4) . . ?
C30 Re3 P5 88.5(4) . . ?
C5 Re3 P6 94.6(5) . . ?
C6 Re3 P6 89.5(5) . . ?
C60 Re3 P6 88.7(4) . . ?
C30 Re3 P6 87.9(4) . . ?
P5 Re3 P6 173.88(18) . . ?
O5 C5 Re3 176.4(17) . . ?
O6 C6 Re3 180(2) . . ?
C8 Re4 C7 92.2(8) . . ?
C8 Re4 C50 92.2(8) . . ?
C7 Re4 C50 174.9(7) . . ?
C8 Re4 C80 177.2(7) . . ?
C7 Re4 C80 89.4(7) . . ?
C50 Re4 C80 86.2(7) . . ?
C8 Re4 P8 89.7(5) . . ?
C7 Re4 P8 93.7(5) . . ?
C50 Re4 P8 88.8(4) . . ?
C80 Re4 P8 88.0(4) . . ?
C8 Re4 P7 93.2(4) . . ?
C7 Re4 P7 93.2(5) . . ?
C50 Re4 P7 84.1(4) . . ?
C80 Re4 P7 88.9(4) . . ?
P8 Re4 P7 172.45(18) . . ?
O7 C7 Re4 179.4(16) . . ?
O8 C8 Re4 174.9(16) . . ?
N1 Ag1 N2 173.2(6) . . ?
C10 N1 Ag1 162.5(14) . . ?
N1 C10 Re1 178.1(19) . . ?
C20 N2 Ag1 157.7(14) . . ?
N2 C20 Re2 177.3(18) . . ?
N3 Ag2 N4 177.0(7) . . ?
C30 N3 Ag2 171.4(17) . . ?
N3 C30 Re3 178.9(17) . . ?
C40 N4 Ag2 166.2(15) . . ?
N4 C40 Re2 178(2) . . ?
N6 Ag3 N5 168.2(5) . . ?
C50 N5 Ag3 155.8(13) . . ?
N5 C50 Re4 177.7(14) . . ?
C60 N6 Ag3 177.2(14) . . ?
N6 C60 Re3 175.1(16) . . ?
N8 Ag4 N7 173.2(6) . . ?
C70 N7 Ag4 158.8(16) . . ?
N7 C70 Re1 173.1(16) . . ?
C80 N8 Ag4 154.4(13) . . ?
N8 C80 Re4 174.2(18) . . ?
C1C P1 C1B 98.4(8) . . ?
C1C P1 C1A 104.0(8) . . ?
C1B P1 C1A 103.8(8) . . ?
C1C P1 Re1 120.0(6) . . ?
C1B P1 Re1 113.2(5) . . ?
C1A P1 Re1 115.0(5) . . ?
C2A C1A C6A 119.5(18) . . ?
C2A C1A P1 118.5(13) . . ?
C6A C1A P1 121.6(15) . . ?
C1A C2A C3A 119.7(16) . . ?
C1A C2A H2A 120.1 . . ?
C3A C2A H2A 120.1 . . ?
C4A C3A C2A 120.5(19) . . ?
C4A C3A H3A 119.8 . . ?
C2A C3A H3A 119.8 . . ?
C3A C4A C5A 120.8(19) . . ?
C3A C4A H4A 119.6 . . ?
C5A C4A H4A 119.6 . . ?
C6A C5A C4A 117.1(17) . . ?
C6A C5A H5A 121.4 . . ?
C4A C5A H5A 121.4 . . ?
C5A C6A C1A 122(2) . . ?
C5A C6A H6A 118.9 . . ?
C1A C6A H6A 118.9 . . ?
C6B C1B C2B 119.3(15) . . ?
C6B C1B P1 124.1(14) . . ?
C2B C1B P1 116.5(14) . . ?
C1B C2B C3B 121.8(17) . . ?
C1B C2B H2B 119.1 . . ?
C3B C2B H2B 119.1 . . ?
C4B C3B C2B 117.9(18) . . ?
C4B C3B H3B 121.1 . . ?
C2B C3B H3B 121.1 . . ?
C5B C4B C3B 119.0(16) . . ?
C5B C4B H4B 120.5 . . ?
C3B C4B H4B 120.5 . . ?
C4B C5B C6B 122.8(18) . . ?
C4B C5B H5B 118.6 . . ?
C6B C5B H5B 118.6 . . ?
C1B C6B C5B 119.2(18) . . ?
C1B C6B H6B 120.4 . . ?
C5B C6B H6B 120.4 . . ?
C2C C1C C6C 118.0(17) . . ?
C2C C1C P1 121.7(12) . . ?
C6C C1C P1 120.1(14) . . ?
C3C C2C C1C 122.8(16) . . ?
C3C C2C H2C 118.6 . . ?
C1C C2C H2C 118.6 . . ?
C4C C3C C2C 117(2) . . ?
C4C C3C H3C 121.5 . . ?
C2C C3C H3C 121.5 . . ?
C5C C4C C3C 122(2) . . ?
C5C C4C H4C 118.8 . . ?
C3C C4C H4C 118.8 . . ?
C4C C5C C6C 120.6(18) . . ?
C4C C5C H5C 119.7 . . ?
C6C C5C H5C 119.7 . . ?
C5C C6C C1C 118.9(18) . . ?
C5C C6C H6C 120.5 . . ?
C1C C6C H6C 120.5 . . ?
C1D P2 C1F 105.9(9) . . ?
C1D P2 C1E 97.9(8) . . ?
C1F P2 C1E 103.2(8) . . ?
C1D P2 Re1 118.7(6) . . ?
C1F P2 Re1 111.8(6) . . ?
C1E P2 Re1 117.4(5) . . ?
C2D C1D C6D 114.5(18) . . ?
C2D C1D P2 123.8(13) . . ?
C6D C1D P2 120.9(15) . . ?
C3D C2D C1D 125.2(17) . . ?
C3D C2D H2D 117.4 . . ?
C1D C2D H2D 117.4 . . ?
C2D C3D C4D 119(2) . . ?
C2D C3D H3D 120.5 . . ?
C4D C3D H3D 120.5 . . ?
C5D C4D C3D 118.4(19) . . ?
C5D C4D H4D 120.8 . . ?
C3D C4D H4D 120.8 . . ?
C4D C5D C6D 121.6(17) . . ?
C4D C5D H5D 119.2 . . ?
C6D C5D H5D 119.2 . . ?
C1D C6D C5D 121(2) . . ?
C1D C6D H6D 119.5 . . ?
C5D C6D H6D 119.5 . . ?
C6E C1E C2E 120.0(16) . . ?
C6E C1E P2 124.8(14) . . ?
C2E C1E P2 115.2(13) . . ?
C3E C2E C1E 118.5(18) . . ?
C3E C2E H2E 120.8 . . ?
C1E C2E H2E 120.8 . . ?
C4E C3E C2E 123(2) . . ?
C4E C3E H3E 118.4 . . ?
C2E C3E H3E 118.4 . . ?
C5E C4E C3E 116.6(18) . . ?
C5E C4E H4E 121.7 . . ?
C3E C4E H4E 121.7 . . ?
C4E C5E C6E 124(2) . . ?
C4E C5E H5E 118.0 . . ?
C6E C5E H5E 118.0 . . ?
C1E C6E C5E 117(2) . . ?
C1E C6E H6E 121.3 . . ?
C5E C6E H6E 121.3 . . ?
C6F C1F C2F 116.4(18) . . ?
C6F C1F P2 126.9(15) . . ?
C2F C1F P2 116.4(14) . . ?
C3F C2F C1F 123.9(18) . . ?
C3F C2F H2F 118.0 . . ?
C1F C2F H2F 118.0 . . ?
C2F C3F C4F 115.7(19) . . ?
C2F C3F H3F 122.1 . . ?
C4F C3F H3F 122.1 . . ?
C5F C4F C3F 120.5(19) . . ?
C5F C4F H4F 119.7 . . ?
C3F C4F H4F 119.7 . . ?
C6F C5F C4F 120(2) . . ?
C6F C5F H5F 120.2 . . ?
C4F C5F H5F 120.2 . . ?
C1F C6F C5F 124(2) . . ?
C1F C6F H6F 118.1 . . ?
C5F C6F H6F 118.1 . . ?
C1I P3 C1H 102.8(9) . . ?
C1I P3 C1G 104.6(9) . . ?
C1H P3 C1G 101.5(8) . . ?
C1I P3 Re2 110.2(5) . . ?
C1H P3 Re2 118.0(5) . . ?
C1G P3 Re2 118.0(6) . . ?
C2G C1G C6G 117.0(18) . . ?
C2G C1G P3 120.1(12) . . ?
C6G C1G P3 122.5(15) . . ?
C1G C2G C3G 122.1(16) . . ?
C1G C2G H2G 119.0 . . ?
C3G C2G H2G 119.0 . . ?
C4G C3G C2G 120.2(19) . . ?
C4G C3G H3G 119.9 . . ?
C2G C3G H3G 119.9 . . ?
C5G C4G C3G 120.4(19) . . ?
C5G C4G H4G 119.8 . . ?
C3G C4G H4G 119.8 . . ?
C4G C5G C6G 119.5(17) . . ?
C4G C5G H5G 120.2 . . ?
C6G C5G H5G 120.2 . . ?
C1G C6G C5G 120.6(18) . . ?
C1G C6G H6G 119.7 . . ?
C5G C6G H6G 119.7 . . ?
C2H C1H C6H 118.6(16) . . ?
C2H C1H P3 121.6(12) . . ?
C6H C1H P3 119.2(13) . . ?
C3H C2H C1H 122.7(16) . . ?
C3H C2H H2H 118.6 . . ?
C1H C2H H2H 118.6 . . ?
C2H C3H C4H 119.4(17) . . ?
C2H C3H H3H 120.3 . . ?
C4H C3H H3H 120.3 . . ?
C5H C4H C3H 119.5(18) . . ?
C5H C4H H4H 120.2 . . ?
C3H C4H H4H 120.2 . . ?
C4H C5H C6H 121.4(16) . . ?
C4H C5H H5H 119.3 . . ?
C6H C5H H5H 119.3 . . ?
C1H C6H C5H 118.3(16) . . ?
C1H C6H H6H 120.9 . . ?
C5H C6H H6H 120.9 . . ?
C6I C1I C2I 117.0(17) . . ?
C6I C1I P3 121.1(17) . . ?
C2I C1I P3 121.4(17) . . ?
C1I C2I C3I 118(2) . . ?
C1I C2I H2I 120.8 . . ?
C3I C2I H2I 120.8 . . ?
C4I C3I C2I 120(2) . . ?
C4I C3I H3I 119.8 . . ?
C2I C3I H3I 119.8 . . ?
C5I C4I C3I 120(2) . . ?
C5I C4I H4I 120.1 . . ?
C3I C4I H4I 120.1 . . ?
C4I C5I C6I 121(2) . . ?
C4I C5I H5I 119.5 . . ?
C6I C5I H5I 119.5 . . ?
C1I C6I C5I 123(2) . . ?
C1I C6I H6I 118.3 . . ?
C5I C6I H6I 118.3 . . ?
C1L P4 C1J 102.1(9) . . ?
C1L P4 C1K 106.8(9) . . ?
C1J P4 C1K 100.6(8) . . ?
C1L P4 Re2 112.4(5) . . ?
C1J P4 Re2 119.3(6) . . ?
C1K P4 Re2 114.1(6) . . ?
C6J C1J C2J 119.9(18) . . ?
C6J C1J P4 119.4(15) . . ?
C2J C1J P4 120.4(12) . . ?
C1J C2J C3J 120.4(17) . . ?
C1J C2J H2J 119.8 . . ?
C3J C2J H2J 119.8 . . ?
C4J C3J C2J 119.9(19) . . ?
C4J C3J H3J 120.0 . . ?
C2J C3J H3J 120.0 . . ?
C5J C4J C3J 117.8(16) . . ?
C5J C4J H4J 121.1 . . ?
C3J C4J H4J 121.1 . . ?
C4J C5J C6J 123.0(17) . . ?
C4J C5J H5J 118.5 . . ?
C6J C5J H5J 118.5 . . ?
C1J C6J C5J 118.8(19) . . ?
C1J C6J H6J 120.6 . . ?
C5J C6J H6J 120.6 . . ?
C2K C1K C6K 117.0(17) . . ?
C2K C1K P4 119.8(13) . . ?
C6K C1K P4 123.2(16) . . ?
C1K C2K C3K 122.7(18) . . ?
C1K C2K H2K 118.7 . . ?
C3K C2K H2K 118.7 . . ?
C4K C3K C2K 120(2) . . ?
C4K C3K H3K 119.8 . . ?
C2K C3K H3K 119.8 . . ?
C5K C4K C3K 117.7(18) . . ?
C5K C4K H4K 121.1 . . ?
C3K C4K H4K 121.1 . . ?
C4K C5K C6K 122.6(19) . . ?
C4K C5K H5K 118.7 . . ?
C6K C5K H5K 118.7 . . ?
C1K C6K C5K 119(2) . . ?
C1K C6K H6K 120.3 . . ?
C5K C6K H6K 120.3 . . ?
C2L C1L C6L 114.9(18) . . ?
C2L C1L P4 122.1(15) . . ?
C6L C1L P4 122.6(14) . . ?
C3L C2L C1L 123(2) . . ?
C3L C2L H2L 118.3 . . ?
C1L C2L H2L 118.3 . . ?
C2L C3L C4L 121.9(19) . . ?
C2L C3L H3L 119.0 . . ?
C4L C3L H3L 119.0 . . ?
C5L C4L C3L 115.2(18) . . ?
C5L C4L H4L 122.4 . . ?
C3L C4L H4L 122.4 . . ?
C6L C5L C4L 123.0(19) . . ?
C6L C5L H5L 118.5 . . ?
C4L C5L H5L 118.5 . . ?
C5L C6L C1L 121.5(17) . . ?
C5L C6L H6L 119.2 . . ?
C1L C6L H6L 119.2 . . ?
C1O P5 C1N 103.3(8) . . ?
C1O P5 C1M 103.8(8) . . ?
C1N P5 C1M 100.7(8) . . ?
C1O P5 Re3 111.8(5) . . ?
C1N P5 Re3 117.3(6) . . ?
C1M P5 Re3 118.0(5) . . ?
C2M C1M C6M 116.7(16) . . ?
C2M C1M P5 122.7(12) . . ?
C6M C1M P5 120.6(13) . . ?
C1M C2M C3M 121.9(15) . . ?
C1M C2M H2M 119.1 . . ?
C3M C2M H2M 119.1 . . ?
C2M C3M C4M 118.3(17) . . ?
C2M C3M H3M 120.9 . . ?
C4M C3M H3M 120.9 . . ?
C5M C4M C3M 121.9(18) . . ?
C5M C4M H4M 119.1 . . ?
C3M C4M H4M 119.1 . . ?
C6M C5M C4M 117.1(16) . . ?
C6M C5M H5M 121.4 . . ?
C4M C5M H5M 121.4 . . ?
C5M C6M C1M 124.1(18) . . ?
C5M C6M H6M 117.9 . . ?
C1M C6M H6M 117.9 . . ?
C2N C1N C6N 116.2(17) . . ?
C2N C1N P5 120.3(12) . . ?
C6N C1N P5 123.4(14) . . ?
C3N C2N C1N 121.1(15) . . ?
C3N C2N H2N 119.4 . . ?
C1N C2N H2N 119.4 . . ?
C4N C3N C2N 121.2(18) . . ?
C4N C3N H3N 119.4 . . ?
C2N C3N H3N 119.4 . . ?
C3N C4N C5N 119.8(18) . . ?
C3N C4N H4N 120.1 . . ?
C5N C4N H4N 120.1 . . ?
C4N C5N C6N 119.4(16) . . ?
C4N C5N H5N 120.3 . . ?
C6N C5N H5N 120.3 . . ?
C5N C6N C1N 121.9(18) . . ?
C5N C6N H6N 119.1 . . ?
C1N C6N H6N 119.1 . . ?
C2O C1O C6O 118.1(16) . . ?
C2O C1O P5 121.0(16) . . ?
C6O C1O P5 120.4(15) . . ?
C1O C2O C3O 122(2) . . ?
C1O C2O H2O 119.1 . . ?
C3O C2O H2O 119.1 . . ?
C4O C3O C2O 118(2) . . ?
C4O C3O H3O 120.9 . . ?
C2O C3O H3O 120.9 . . ?
C3O C4O C5O 122.9(19) . . ?
C3O C4O H4O 118.6 . . ?
C5O C4O H4O 118.6 . . ?
C6O C5O C4O 118(2) . . ?
C6O C5O H5O 121.2 . . ?
C4O C5O H5O 121.2 . . ?
C1O C6O C5O 121(2) . . ?
C1O C6O H6O 119.3 . . ?
C5O C6O H6O 119.3 . . ?
C1P P6 C1Q 104.2(8) . . ?
C1P P6 C1R 104.0(8) . . ?
C1Q P6 C1R 98.2(8) . . ?
C1P P6 Re3 113.6(5) . . ?
C1Q P6 Re3 114.7(5) . . ?
C1R P6 Re3 120.0(5) . . ?
C6P C1P C2P 118.8(17) . . ?
C6P C1P P6 120.4(14) . . ?
C2P C1P P6 120.5(13) . . ?
C3P C2P C1P 120.8(17) . . ?
C3P C2P H2P 119.6 . . ?
C1P C2P H2P 119.6 . . ?
C2P C3P C4P 122.2(19) . . ?
C2P C3P H3P 118.9 . . ?
C4P C3P H3P 118.9 . . ?
C5P C4P C3P 118.6(18) . . ?
C5P C4P H4P 120.7 . . ?
C3P C4P H4P 120.7 . . ?
C4P C5P C6P 120.4(17) . . ?
C4P C5P H5P 119.8 . . ?
C6P C5P H5P 119.8 . . ?
C1P C6P C5P 119.1(18) . . ?
C1P C6P H6P 120.4 . . ?
C5P C6P H6P 120.4 . . ?
C2Q C1Q C6Q 115.1(16) . . ?
C2Q C1Q P6 125.0(15) . . ?
C6Q C1Q P6 119.8(13) . . ?
C3Q C2Q C1Q 121.0(19) . . ?
C3Q C2Q H2Q 119.5 . . ?
C1Q C2Q H2Q 119.5 . . ?
C2Q C3Q C4Q 119.2(17) . . ?
C2Q C3Q H3Q 120.4 . . ?
C4Q C3Q H3Q 120.4 . . ?
C5Q C4Q C3Q 121.8(18) . . ?
C5Q C4Q H4Q 119.1 . . ?
C3Q C4Q H4Q 119.1 . . ?
C4Q C5Q C6Q 119(2) . . ?
C4Q C5Q H5Q 120.6 . . ?
C6Q C5Q H5Q 120.6 . . ?
C5Q C6Q C1Q 124.1(17) . . ?
C5Q C6Q H6Q 118.0 . . ?
C1Q C6Q H6Q 118.0 . . ?
C2R C1R C6R 118.7(17) . . ?
C2R C1R P6 121.6(12) . . ?
C6R C1R P6 119.6(13) . . ?
C1R C2R C3R 118.5(15) . . ?
C1R C2R H2R 120.8 . . ?
C3R C2R H2R 120.8 . . ?
C4R C3R C2R 121.1(17) . . ?
C4R C3R H3R 119.5 . . ?
C2R C3R H3R 119.5 . . ?
C5R C4R C3R 120.8(18) . . ?
C5R C4R H4R 119.6 . . ?
C3R C4R H4R 119.6 . . ?
C4R C5R C6R 120.0(16) . . ?
C4R C5R H5R 120.0 . . ?
C6R C5R H5R 120.0 . . ?
C1R C6R C5R 120.5(17) . . ?
C1R C6R H6R 119.7 . . ?
C5R C6R H6R 119.7 . . ?
C1T P7 C1S 103.1(8) . . ?
C1T P7 C1U 97.3(8) . . ?
C1S P7 C1U 102.4(8) . . ?
C1T P7 Re4 119.8(5) . . ?
C1S P7 Re4 112.9(5) . . ?
C1U P7 Re4 118.6(6) . . ?
C2S C1S C6S 115.9(15) . . ?
C2S C1S P7 122.3(16) . . ?
C6S C1S P7 121.5(14) . . ?
C3S C2S C1S 124(2) . . ?
C3S C2S H2S 117.8 . . ?
C1S C2S H2S 117.8 . . ?
C4S C3S C2S 118(2) . . ?
C4S C3S H3S 121.2 . . ?
C2S C3S H3S 121.2 . . ?
C3S C4S C5S 121.9(17) . . ?
C3S C4S H4S 119.0 . . ?
C5S C4S H4S 119.0 . . ?
C4S C5S C6S 118.4(19) . . ?
C4S C5S H5S 120.8 . . ?
C6S C5S H5S 120.8 . . ?
C5S C6S C1S 121.6(19) . . ?
C5S C6S H6S 119.2 . . ?
C1S C6S H6S 119.2 . . ?
C6T C1T C2T 114.1(16) . . ?
C6T C1T P7 125.0(13) . . ?
C2T C1T P7 120.9(12) . . ?
C3T C2T C1T 121.5(15) . . ?
C3T C2T H2T 119.3 . . ?
C1T C2T H2T 119.3 . . ?
C2T C3T C4T 120.4(17) . . ?
C2T C3T H3T 119.8 . . ?
C4T C3T H3T 119.8 . . ?
C3T C4T C5T 122.4(18) . . ?
C3T C4T H4T 118.8 . . ?
C5T C4T H4T 118.8 . . ?
C6T C5T C4T 114.7(16) . . ?
C6T C5T H5T 122.7 . . ?
C4T C5T H5T 122.7 . . ?
C5T C6T C1T 126.7(16) . . ?
C5T C6T H6T 116.7 . . ?
C1T C6T H6T 116.7 . . ?
C6U C1U C2U 118.3(17) . . ?
C6U C1U P7 120.3(13) . . ?
C2U C1U P7 121.3(14) . . ?
C3U C2U C1U 117.8(18) . . ?
C3U C2U H2U 121.1 . . ?
C1U C2U H2U 121.1 . . ?
C4U C3U C2U 126.0(18) . . ?
C4U C3U H3U 117.0 . . ?
C2U C3U H3U 117.0 . . ?
C3U C4U C5U 115.6(17) . . ?
C3U C4U H4U 122.2 . . ?
C5U C4U H4U 122.2 . . ?
C6U C5U C4U 119.8(19) . . ?
C6U C5U H5U 120.1 . . ?
C4U C5U H5U 120.1 . . ?
C5U C6U C1U 122.3(17) . . ?
C5U C6U H6U 118.8 . . ?
C1U C6U H6U 118.8 . . ?
C1V P8 C1W 102.7(9) . . ?
C1V P8 C1Z 104.0(8) . . ?
C1W P8 C1Z 98.9(8) . . ?
C1V P8 Re4 113.1(5) . . ?
C1W P8 Re4 119.1(6) . . ?
C1Z P8 Re4 116.7(6) . . ?
C6V C1V C2V 114.9(18) . . ?
C6V C1V P8 120.7(15) . . ?
C2V C1V P8 124.0(15) . . ?
C1V C2V C3V 123.8(18) . . ?
C1V C2V H2V 118.1 . . ?
C3V C2V H2V 118.1 . . ?
C4V C3V C2V 117.1(19) . . ?
C4V C3V H3V 121.4 . . ?
C2V C3V H3V 121.4 . . ?
C5V C4V C3V 122(2) . . ?
C5V C4V H4V 119.2 . . ?
C3V C4V H4V 119.2 . . ?
C4V C5V C6V 120.8(18) . . ?
C4V C5V H5V 119.6 . . ?
C6V C5V H5V 119.6 . . ?
C1V C6V C5V 121.7(18) . . ?
C1V C6V H6V 119.1 . . ?
C5V C6V H6V 119.1 . . ?
C6W C1W C2W 116.1(17) . . ?
C6W C1W P8 118.2(14) . . ?
C2W C1W P8 125.3(16) . . ?
C3W C2W C1W 120(2) . . ?
C3W C2W H2W 119.9 . . ?
C1W C2W H2W 119.9 . . ?
C4W C3W C2W 119.8(18) . . ?
C4W C3W H3W 120.1 . . ?
C2W C3W H3W 120.1 . . ?
C5W C4W C3W 122.8(19) . . ?
C5W C4W H4W 118.6 . . ?
C3W C4W H4W 118.6 . . ?
C4W C5W C6W 117(2) . . ?
C4W C5W H5W 121.5 . . ?
C6W C5W H5W 121.5 . . ?
C1W C6W C5W 124.0(18) . . ?
C1W C6W H6W 118.0 . . ?
C5W C6W H6W 118.0 . . ?
C6Z C1Z C2Z 117.4(15) . . ?
C6Z C1Z P8 125.5(12) . . ?
C2Z C1Z P8 117.0(13) . . ?
C3Z C2Z C1Z 121.7(18) . . ?
C3Z C2Z H2Z 119.1 . . ?
C1Z C2Z H2Z 119.1 . . ?
C4Z C3Z C2Z 118.1(16) . . ?
C4Z C3Z H3Z 120.9 . . ?
C2Z C3Z H3Z 120.9 . . ?
C5Z C4Z C3Z 122.0(17) . . ?
C5Z C4Z H4Z 119.0 . . ?
C3Z C4Z H4Z 119.0 . . ?
C4Z C5Z C6Z 117.5(18) . . ?
C4Z C5Z H5Z 121.3 . . ?
C6Z C5Z H5Z 121.3 . . ?
C1Z C6Z C5Z 123.0(16) . . ?
C1Z C6Z H6Z 118.5 . . ?
C5Z C6Z H6Z 118.5 . . ?
O11 C11 C31 123(2) . . ?
O11 C11 C21 113(2) . . ?
C31 C11 C21 123(3) . . ?
C11 C21 H21A 109.5 . . ?
C11 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C11 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C31 H31A 109.5 . . ?
C11 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C11 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O12 C12 C32 119(2) . . ?
O12 C12 C22 117(2) . . ?
C32 C12 C22 124(2) . . ?
C12 C22 H22A 109.5 . . ?
C12 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C12 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C12 C32 H32A 109.5 . . ?
C12 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C12 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 C13 O13 118(3) . . ?
C33 C13 C23 126(3) . . ?
O13 C13 C23 115(2) . . ?
C13 C23 H23A 109.5 . . ?
C13 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C13 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C13 C33 H33A 109.5 . . ?
C13 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C13 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1C P1 C1A C2A -175.0(13) . . . . ?
C1B P1 C1A C2A -72.5(14) . . . . ?
C1C P1 C1A C6A 11.9(15) . . . . ?
C1B P1 C1A C6A 114.3(14) . . . . ?
C6A C1A C2A C3A -3(2) . . . . ?
P1 C1A C2A C3A -176.7(11) . . . . ?
C1A C2A C3A C4A 2(2) . . . . ?
C2A C3A C4A C5A 1(2) . . . . ?
C3A C4A C5A C6A -1(3) . . . . ?
C4A C5A C6A C1A -1(3) . . . . ?
C2A C1A C6A C5A 3(3) . . . . ?
P1 C1A C6A C5A 176.2(13) . . . . ?
C1C P1 C1B C6B 130.4(14) . . . . ?
C1A P1 C1B C6B 23.7(15) . . . . ?
C1C P1 C1B C2B -46.3(13) . . . . ?
C1A P1 C1B C2B -153.1(12) . . . . ?
C6B C1B C2B C3B 0(2) . . . . ?
P1 C1B C2B C3B 177.0(11) . . . . ?
C1B C2B C3B C4B 1(2) . . . . ?
C2B C3B C4B C5B -2(2) . . . . ?
C3B C4B C5B C6B 2(2) . . . . ?
C2B C1B C6B C5B 0(2) . . . . ?
P1 C1B C6B C5B -177.1(11) . . . . ?
C4B C5B C6B C1B -1(2) . . . . ?
C1B P1 C1C C2C 138.8(15) . . . . ?
C1A P1 C1C C2C -114.6(15) . . . . ?
Re1 P1 C1C C2C 15.8(17) . . . . ?
C1B P1 C1C C6C -46.6(16) . . . . ?
C1A P1 C1C C6C 59.9(16) . . . . ?
C6C C1C C2C C3C 3(3) . . . . ?
P1 C1C C2C C3C 177.6(16) . . . . ?
C1C C2C C3C C4C -3(3) . . . . ?
C2C C3C C4C C5C 4(3) . . . . ?
C3C C4C C5C C6C -6(3) . . . . ?
C4C C5C C6C C1C 6(3) . . . . ?
C2C C1C C6C C5C -4(3) . . . . ?
P1 C1C C6C C5C -179.1(15) . . . . ?
C1F P2 C1D C2D 147.2(17) . . . . ?
C1E P2 C1D C2D -106.6(17) . . . . ?
C1F P2 C1D C6D -43.2(18) . . . . ?
C1E P2 C1D C6D 63.0(17) . . . . ?
C6D C1D C2D C3D -3(3) . . . . ?
P2 C1D C2D C3D 167.0(16) . . . . ?
C1D C2D C3D C4D 5(3) . . . . ?
C2D C3D C4D C5D -3(3) . . . . ?
C3D C4D C5D C6D -1(3) . . . . ?
C2D C1D C6D C5D -1(3) . . . . ?
P2 C1D C6D C5D -171.5(15) . . . . ?
C4D C5D C6D C1D 3(3) . . . . ?
C1D P2 C1E C6E -102.8(17) . . . . ?
C1F P2 C1E C6E 5.6(18) . . . . ?
C1D P2 C1E C2E 75.5(15) . . . . ?
C1F P2 C1E C2E -176.0(13) . . . . ?
C6E C1E C2E C3E 0(3) . . . . ?
P2 C1E C2E C3E -178.8(12) . . . . ?
C1E C2E C3E C4E -3(3) . . . . ?
C2E C3E C4E C5E 6(3) . . . . ?
C3E C4E C5E C6E -7(3) . . . . ?
C2E C1E C6E C5E 0(3) . . . . ?
P2 C1E C6E C5E 178.3(13) . . . . ?
C4E C5E C6E C1E 4(3) . . . . ?
C1D P2 C1F C6F -29.6(18) . . . . ?
C1E P2 C1F C6F -131.9(16) . . . . ?
C1D P2 C1F C2F 156.5(12) . . . . ?
C1E P2 C1F C2F 54.2(14) . . . . ?
C6F C1F C2F C3F 1(3) . . . . ?
P2 C1F C2F C3F 175.8(13) . . . . ?
C1F C2F C3F C4F -1(3) . . . . ?
C2F C3F C4F C5F 1(2) . . . . ?
C3F C4F C5F C6F -1(3) . . . . ?
C2F C1F C6F C5F -1(3) . . . . ?
P2 C1F C6F C5F -174.8(15) . . . . ?
C4F C5F C6F C1F 1(3) . . . . ?
C1I P3 C1G C2G -151.8(15) . . . . ?
C1H P3 C1G C2G 101.6(15) . . . . ?
C1I P3 C1G C6G 35.9(17) . . . . ?
C1H P3 C1G C6G -70.7(16) . . . . ?
C6G C1G C2G C3G -2(3) . . . . ?
P3 C1G C2G C3G -174.3(15) . . . . ?
C1G C2G C3G C4G 0(3) . . . . ?
C2G C3G C4G C5G 0(3) . . . . ?
C3G C4G C5G C6G 2(3) . . . . ?
C2G C1G C6G C5G 4(3) . . . . ?
P3 C1G C6G C5G 176.2(14) . . . . ?
C4G C5G C6G C1G -4(3) . . . . ?
C1I P3 C1H C2H 144.5(16) . . . . ?
C1G P3 C1H C2H -107.5(16) . . . . ?
C1I P3 C1H C6H -44.6(17) . . . . ?
C1G P3 C1H C6H 63.4(16) . . . . ?
C6H C1H C2H C3H 3(3) . . . . ?
P3 C1H C2H C3H 174.0(14) . . . . ?
C1H C2H C3H C4H -1(3) . . . . ?
C2H C3H C4H C5H -1(3) . . . . ?
C3H C4H C5H C6H 1(3) . . . . ?
C2H C1H C6H C5H -3(3) . . . . ?
P3 C1H C6H C5H -174.6(14) . . . . ?
C4H C5H C6H C1H 2(3) . . . . ?
C1H P3 C1I C6I -45.5(16) . . . . ?
C1G P3 C1I C6I -151.1(14) . . . . ?
C1H P3 C1I C2I 142.0(14) . . . . ?
C1G P3 C1I C2I 36.3(16) . . . . ?
C6I C1I C2I C3I 0(2) . . . . ?
P3 C1I C2I C3I 172.4(12) . . . . ?
C1I C2I C3I C4I -2(3) . . . . ?
C2I C3I C4I C5I 1(3) . . . . ?
C3I C4I C5I C6I 1(3) . . . . ?
C2I C1I C6I C5I 3(3) . . . . ?
P3 C1I C6I C5I -169.8(12) . . . . ?
C4I C5I C6I C1I -4(3) . . . . ?
C1L P4 C1J C6J 41.4(17) . . . . ?
C1K P4 C1J C6J -68.5(17) . . . . ?
C1L P4 C1J C2J -132.5(16) . . . . ?
C1K P4 C1J C2J 117.5(17) . . . . ?
C6J C1J C2J C3J 4(3) . . . . ?
P4 C1J C2J C3J 177.5(14) . . . . ?
C1J C2J C3J C4J -2(3) . . . . ?
C2J C3J C4J C5J 2(3) . . . . ?
C3J C4J C5J C6J -3(3) . . . . ?
C2J C1J C6J C5J -5(3) . . . . ?
P4 C1J C6J C5J -178.8(14) . . . . ?
C4J C5J C6J C1J 5(3) . . . . ?
C1L P4 C1K C2K 166.9(16) . . . . ?
C1J P4 C1K C2K -86.8(18) . . . . ?
C1L P4 C1K C6K -13(2) . . . . ?
C1J P4 C1K C6K 92.9(18) . . . . ?
C6K C1K C2K C3K 2(3) . . . . ?
P4 C1K C2K C3K -178.1(15) . . . . ?
C1K C2K C3K C4K -1(3) . . . . ?
C2K C3K C4K C5K 0(3) . . . . ?
C3K C4K C5K C6K 0(3) . . . . ?
C2K C1K C6K C5K -3(3) . . . . ?
P4 C1K C6K C5K 177.5(15) . . . . ?
C4K C5K C6K C1K 2(3) . . . . ?
C1J P4 C1L C2L 35.5(15) . . . . ?
C1K P4 C1L C2L 140.7(14) . . . . ?
C1J P4 C1L C6L -152.8(13) . . . . ?
C1K P4 C1L C6L -47.6(15) . . . . ?
C6L C1L C2L C3L 2(2) . . . . ?
P4 C1L C2L C3L 174.5(13) . . . . ?
C1L C2L C3L C4L -2(3) . . . . ?
C2L C3L C4L C5L 2(2) . . . . ?
C3L C4L C5L C6L -3(2) . . . . ?
C4L C5L C6L C1L 3(2) . . . . ?
C2L C1L C6L C5L -3(2) . . . . ?
P4 C1L C6L C5L -175.0(11) . . . . ?
C1O P5 C1M C2M -138.9(14) . . . . ?
C1N P5 C1M C2M 114.4(15) . . . . ?
C1O P5 C1M C6M 42.0(16) . . . . ?
C1N P5 C1M C6M -64.7(15) . . . . ?
C6M C1M C2M C3M 2(3) . . . . ?
P5 C1M C2M C3M -177.1(13) . . . . ?
C1M C2M C3M C4M -3(3) . . . . ?
C2M C3M C4M C5M 2(3) . . . . ?
C3M C4M C5M C6M -1(3) . . . . ?
C4M C5M C6M C1M 1(3) . . . . ?
C2M C1M C6M C5M -1(3) . . . . ?
P5 C1M C6M C5M 178.0(15) . . . . ?
C1O P5 C1N C2N 156.7(14) . . . . ?
C1M P5 C1N C2N -96.2(15) . . . . ?
C1O P5 C1N C6N -27.9(17) . . . . ?
C1M P5 C1N C6N 79.2(15) . . . . ?
C6N C1N C2N C3N 4(3) . . . . ?
P5 C1N C2N C3N -180.0(14) . . . . ?
C1N C2N C3N C4N -4(3) . . . . ?
C2N C3N C4N C5N -2(3) . . . . ?
C3N C4N C5N C6N 6(3) . . . . ?
C4N C5N C6N C1N -6(3) . . . . ?
C2N C1N C6N C5N 0(3) . . . . ?
P5 C1N C6N C5N -175.2(15) . . . . ?
C1N P5 C1O C2O 143.6(14) . . . . ?
C1M P5 C1O C2O 38.8(15) . . . . ?
C1N P5 C1O C6O -44.0(15) . . . . ?
C1M P5 C1O C6O -148.8(13) . . . . ?
C6O C1O C2O C3O 2(2) . . . . ?
P5 C1O C2O C3O 174.2(11) . . . . ?
C1O C2O C3O C4O -2(2) . . . . ?
C2O C3O C4O C5O 1(3) . . . . ?
C3O C4O C5O C6O -1(3) . . . . ?
C2O C1O C6O C5O -1(2) . . . . ?
P5 C1O C6O C5O -174.1(12) . . . . ?
C4O C5O C6O C1O 1(2) . . . . ?
C1Q P6 C1P C6P -119.2(12) . . . . ?
C1R P6 C1P C6P -16.9(14) . . . . ?
C1Q P6 C1P C2P 67.5(14) . . . . ?
C1R P6 C1P C2P 169.9(12) . . . . ?
C6P C1P C2P C3P 1(2) . . . . ?
P6 C1P C2P C3P 174.3(11) . . . . ?
C1P C2P C3P C4P 0(2) . . . . ?
C2P C3P C4P C5P -2(2) . . . . ?
C3P C4P C5P C6P 2(2) . . . . ?
C2P C1P C6P C5P 0(2) . . . . ?
P6 C1P C6P C5P -173.4(11) . . . . ?
C4P C5P C6P C1P -2(2) . . . . ?
C1P P6 C1Q C2Q -3.5(17) . . . . ?
C1R P6 C1Q C2Q -110.2(16) . . . . ?
C1P P6 C1Q C6Q 173.4(14) . . . . ?
C1R P6 C1Q C6Q 66.6(15) . . . . ?
C6Q C1Q C2Q C3Q 2(3) . . . . ?
P6 C1Q C2Q C3Q 178.6(13) . . . . ?
C1Q C2Q C3Q C4Q -2(3) . . . . ?
C2Q C3Q C4Q C5Q 3(3) . . . . ?
C3Q C4Q C5Q C6Q -4(3) . . . . ?
C4Q C5Q C6Q C1Q 3(3) . . . . ?
C2Q C1Q C6Q C5Q -2(3) . . . . ?
P6 C1Q C6Q C5Q -179.2(13) . . . . ?
C1P P6 C1R C2R 118.2(15) . . . . ?
C1Q P6 C1R C2R -134.9(15) . . . . ?
C1P P6 C1R C6R -59.1(16) . . . . ?
C1Q P6 C1R C6R 47.8(16) . . . . ?
C6R C1R C2R C3R -2(3) . . . . ?
P6 C1R C2R C3R -179.3(14) . . . . ?
C1R C2R C3R C4R 3(3) . . . . ?
C2R C3R C4R C5R -6(3) . . . . ?
C3R C4R C5R C6R 7(3) . . . . ?
C2R C1R C6R C5R 4(3) . . . . ?
P6 C1R C6R C5R -179.1(14) . . . . ?
C4R C5R C6R C1R -6(3) . . . . ?
C1T P7 C1S C2S -143.9(13) . . . . ?
C1U P7 C1S C2S -43.2(15) . . . . ?
C1T P7 C1S C6S 41.5(14) . . . . ?
C1U P7 C1S C6S 142.2(13) . . . . ?
C6S C1S C2S C3S -1(2) . . . . ?
P7 C1S C2S C3S -176.0(12) . . . . ?
C1S C2S C3S C4S -2(2) . . . . ?
C2S C3S C4S C5S 4(2) . . . . ?
C3S C4S C5S C6S -2(2) . . . . ?
C4S C5S C6S C1S -1(2) . . . . ?
C2S C1S C6S C5S 3(2) . . . . ?
P7 C1S C6S C5S 177.8(11) . . . . ?
C1S P7 C1T C6T 30.5(18) . . . . ?
C1U P7 C1T C6T -74.1(17) . . . . ?
C1S P7 C1T C2T -151.5(15) . . . . ?
C1U P7 C1T C2T 104.0(16) . . . . ?
C6T C1T C2T C3T 5(3) . . . . ?
P7 C1T C2T C3T -173.3(15) . . . . ?
C1T C2T C3T C4T -5(3) . . . . ?
C2T C3T C4T C5T 2(3) . . . . ?
C3T C4T C5T C6T 2(3) . . . . ?
C4T C5T C6T C1T -2(3) . . . . ?
C2T C1T C6T C5T -1(3) . . . . ?
P7 C1T C6T C5T 176.9(15) . . . . ?
C1T P7 C1U C6U -103.3(16) . . . . ?
C1S P7 C1U C6U 151.5(15) . . . . ?
C1T P7 C1U C2U 72.8(15) . . . . ?
C1S P7 C1U C2U -32.3(16) . . . . ?
C6U C1U C2U C3U 2(3) . . . . ?
P7 C1U C2U C3U -174.5(15) . . . . ?
C1U C2U C3U C4U 2(3) . . . . ?
C2U C3U C4U C5U -2(3) . . . . ?
C3U C4U C5U C6U -2(3) . . . . ?
C4U C5U C6U C1U 5(3) . . . . ?
C2U C1U C6U C5U -5(3) . . . . ?
P7 C1U C6U C5U 171.1(16) . . . . ?
C1W P8 C1V C6V -58.2(14) . . . . ?
C1Z P8 C1V C6V -160.9(13) . . . . ?
C1W P8 C1V C2V 130.3(13) . . . . ?
C1Z P8 C1V C2V 27.6(15) . . . . ?
C6V C1V C2V C3V 4(2) . . . . ?
P8 C1V C2V C3V 176.0(11) . . . . ?
C1V C2V C3V C4V -1(2) . . . . ?
C2V C3V C4V C5V -2(2) . . . . ?
C3V C4V C5V C6V 2(3) . . . . ?
C2V C1V C6V C5V -4(2) . . . . ?
P8 C1V C6V C5V -176.3(11) . . . . ?
C4V C5V C6V C1V 1(2) . . . . ?
C1V P8 C1W C6W -176.1(14) . . . . ?
C1Z P8 C1W C6W -69.4(15) . . . . ?
C1V P8 C1W C2W -3.2(16) . . . . ?
C1Z P8 C1W C2W 103.5(15) . . . . ?
C6W C1W C2W C3W 1(2) . . . . ?
P8 C1W C2W C3W -172.5(12) . . . . ?
C1W C2W C3W C4W 0(2) . . . . ?
C2W C3W C4W C5W -1(3) . . . . ?
C3W C4W C5W C6W 0(3) . . . . ?
C2W C1W C6W C5W -1(3) . . . . ?
P8 C1W C6W C5W 172.9(12) . . . . ?
C4W C5W C6W C1W 0(3) . . . . ?
C1V P8 C1Z C6Z -132.8(17) . . . . ?
C1W P8 C1Z C6Z 121.6(18) . . . . ?
C1V P8 C1Z C2Z 51.7(16) . . . . ?
C1W P8 C1Z C2Z -53.9(16) . . . . ?
C6Z C1Z C2Z C3Z 0(3) . . . . ?
P8 C1Z C2Z C3Z 176.3(15) . . . . ?
C1Z C2Z C3Z C4Z 2(3) . . . . ?
C2Z C3Z C4Z C5Z -6(3) . . . . ?
C3Z C4Z C5Z C6Z 6(3) . . . . ?
C2Z C1Z C6Z C5Z 0(3) . . . . ?
P8 C1Z C6Z C5Z -175.3(15) . . . . ?
C4Z C5Z C6Z C1Z -3(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
C31 H31A O13 0.98 2.54 3.19(3) 123.6 .

_refine_diff_density_max         1.46
_refine_diff_density_min         -1.41
_refine_diff_density_rms         0.274

####################################################################### 
# 
# 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_b2493A
_database_code_depnum_ccdc_archive 'CCDC 1531341'
_audit_update_record             
;
2017-02-06 deposited with the CCDC.
2017-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C160 H120 Ag4 N8 O8 P8 Re4, 5(C2 H6 O)'
_chemical_formula_sum            'C170 H150 Ag4 N8 O13 P8 Re4'
_chemical_formula_weight         3937.01

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   12.282(2)
_cell_length_b                   18.475(4)
_cell_length_c                   35.979(8)
_cell_angle_alpha                83.56(3)
_cell_angle_beta                 89.19(3)
_cell_angle_gamma                72.42(3)
_cell_volume                     7732(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    42809
_cell_measurement_theta_min      2.85
_cell_measurement_theta_max      28.77

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_F_000             3876
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    3.760
_shelx_estimated_absorpt_T_min   0.361
_shelx_estimated_absorpt_T_max   0.641
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.362
_exptl_absorpt_correction_T_max  0.666
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 
;
_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Kuma KM-4-CCD κ-geometry'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58775
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         2.854
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.499
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             28576
_reflns_number_gt                24328
_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       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_cell_refinement       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_data_reduction        
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.33.66'
_computing_structure_solution    'shelxs-97 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0700P)²+12.5000P] 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         28576
_refine_ls_number_parameters     1869
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0942
_refine_ls_wR_factor_gt          0.0914
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_restrained_S_all      0.907
_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
Re1 Re 0.64558(2) 0.86398(2) 0.13216(2) 0.01237(5) Uani 1 1 d . . . . .
C1 C 0.6407(4) 0.8942(2) 0.07848(14) 0.0182(10) Uani 1 1 d . . . . .
O1 O 0.6381(3) 0.91238(19) 0.04670(9) 0.0225(7) Uani 1 1 d . . . . .
C2 C 0.5833(4) 0.9687(3) 0.14249(14) 0.0220(10) Uani 1 1 d . . . . .
O2 O 0.5435(3) 1.0311(2) 0.14986(12) 0.0358(9) Uani 1 1 d . . . . .
Re2 Re 0.62377(2) 0.69339(2) 0.41805(2) 0.01213(5) Uani 1 1 d . . . . .
C3 C 0.6421(4) 0.6646(2) 0.47130(13) 0.0177(10) Uani 1 1 d . . . . .
O3 O 0.6543(3) 0.6471(2) 0.50324(9) 0.0264(8) Uani 1 1 d . . . . .
C4 C 0.5776(4) 0.8014(3) 0.42357(12) 0.0167(9) Uani 1 1 d . . . . .
O4 O 0.5542(3) 0.86667(18) 0.42625(10) 0.0248(8) Uani 1 1 d . . . . .
Re3 Re 0.83347(2) 0.12102(2) 0.36169(2) 0.01210(5) Uani 1 1 d . . . . .
C5 C 0.8522(4) 0.0832(2) 0.41451(14) 0.0198(10) Uani 1 1 d . . . . .
O5 O 0.8654(3) 0.0643(2) 0.44650(9) 0.0270(8) Uani 1 1 d . . . . .
C6 C 0.8736(4) 0.0182(3) 0.34754(13) 0.0200(10) Uani 1 1 d . . . . .
O6 O 0.8948(3) -0.04338(19) 0.33963(10) 0.0285(8) Uani 1 1 d . . . . .
Re4 Re 0.81647(2) 0.30372(2) 0.07871(2) 0.01291(5) Uani 1 1 d . . . . .
C7 C 0.8021(4) 0.3192(2) 0.02475(14) 0.0199(10) Uani 1 1 d . . . . .
O7 O 0.7982(3) 0.32815(19) -0.00749(9) 0.0252(8) Uani 1 1 d . . . . .
C8 C 0.8763(4) 0.1950(3) 0.07798(12) 0.0169(9) Uani 1 1 d . . . . .
O8 O 0.9091(3) 0.12945(18) 0.07679(10) 0.0262(8) Uani 1 1 d . . . . .
Ag1 Ag 0.63460(3) 0.76643(2) 0.27462(2) 0.02394(9) Uani 1 1 d . . . . .
N1 N 0.6625(4) 0.8097(3) 0.22145(11) 0.0262(9) Uani 1 1 d . . . . .
C10 C 0.6563(4) 0.8284(2) 0.19024(13) 0.0160(9) Uani 1 1 d . . . . .
N2 N 0.5997(4) 0.7252(3) 0.32731(12) 0.0290(10) Uani 1 1 d . . . . .
C20 C 0.6059(4) 0.7154(3) 0.35941(13) 0.0178(10) Uani 1 1 d . . . . .
Ag2 Ag 0.73701(3) 0.40231(2) 0.39734(2) 0.02706(9) Uani 1 1 d . . . . .
N3 N 0.7588(3) 0.2925(2) 0.38679(11) 0.0221(9) Uani 1 1 d . . . . .
C30 C 0.7850(4) 0.2323(3) 0.37754(12) 0.0173(9) Uani 1 1 d . . . . .
N4 N 0.7133(4) 0.5145(2) 0.40375(14) 0.0324(11) Uani 1 1 d . . . . .
C40 C 0.6812(4) 0.5778(3) 0.40861(13) 0.0210(10) Uani 1 1 d . . . . .
Ag3 Ag 0.82384(3) 0.25738(2) 0.22399(2) 0.02491(9) Uani 1 1 d . . . . .
N5 N 0.8470(4) 0.2911(2) 0.16881(12) 0.0274(9) Uani 1 1 d . . . . .
C50 C 0.8364(4) 0.2950(3) 0.13726(13) 0.0179(9) Uani 1 1 d . . . . .
N6 N 0.8149(3) 0.2082(2) 0.27722(11) 0.0229(9) Uani 1 1 d . . . . .
C60 C 0.8192(4) 0.1751(2) 0.30633(13) 0.0167(9) Uani 1 1 d . . . . .
Ag4 Ag 0.71003(3) 0.58900(2) 0.09693(2) 0.02397(9) Uani 1 1 d . . . . .
N7 N 0.7200(4) 0.6860(2) 0.11743(12) 0.0264(9) Uani 1 1 d . . . . .
C70 C 0.7014(4) 0.7482(3) 0.12316(12) 0.0161(9) Uani 1 1 d . . . . .
N8 N 0.7037(3) 0.4870(2) 0.08162(12) 0.0263(9) Uani 1 1 d . . . . .
C80 C 0.7431(4) 0.4221(3) 0.08047(12) 0.0184(10) Uani 1 1 d . . . . .
P1 P 0.83733(9) 0.87067(6) 0.13985(3) 0.0139(2) Uani 1 1 d . . . . .
C1A C 0.9150(4) 0.8800(2) 0.09626(12) 0.0165(9) Uani 1 1 d . . . . .
C2A C 0.8667(4) 0.9398(3) 0.06850(12) 0.0180(9) Uani 1 1 d . . . . .
H2A H 0.7961 0.9767 0.0728 0.022 Uiso 1 1 calc R U . . .
C3A C 0.9201(4) 0.9461(3) 0.03498(13) 0.0219(10) Uani 1 1 d . . . . .
H3A H 0.8868 0.9876 0.0165 0.026 Uiso 1 1 calc R U . . .
C4A C 1.0220(4) 0.8924(3) 0.02803(13) 0.0241(11) Uani 1 1 d . . . . .
H4A H 1.0585 0.8968 0.0048 0.029 Uiso 1 1 calc R U . . .
C5A C 1.0706(4) 0.8324(3) 0.05503(14) 0.0248(11) Uani 1 1 d . . . . .
H5A H 1.1405 0.7953 0.0502 0.030 Uiso 1 1 calc R U . . .
C6A C 1.0184(4) 0.8256(3) 0.08913(13) 0.0199(10) Uani 1 1 d . . . . .
H6A H 1.0526 0.7842 0.1076 0.024 Uiso 1 1 calc R U . . .
C1B C 0.8454(4) 0.9504(2) 0.16536(13) 0.0163(9) Uani 1 1 d . . . . .
C2B C 0.8343(4) 0.9420(3) 0.20366(13) 0.0210(10) Uani 1 1 d . . . . .
H2B H 0.8168 0.8982 0.2154 0.025 Uiso 1 1 calc R U . . .
C3B C 0.8481(4) 0.9959(3) 0.22544(14) 0.0248(11) Uani 1 1 d . . . . .
H3B H 0.8433 0.9881 0.2519 0.030 Uiso 1 1 calc R U . . .
C4B C 0.8691(4) 1.0618(3) 0.20828(14) 0.0241(10) Uani 1 1 d . . . . .
H4B H 0.8786 1.0992 0.2230 0.029 Uiso 1 1 calc R U . . .
C5B C 0.8760(4) 1.0724(3) 0.16985(14) 0.0264(11) Uani 1 1 d . . . . .
H5B H 0.8883 1.1178 0.1580 0.032 Uiso 1 1 calc R U . . .
C6B C 0.8648(4) 1.0167(3) 0.14838(13) 0.0199(10) Uani 1 1 d . . . . .
H6B H 0.8705 1.0241 0.1220 0.024 Uiso 1 1 calc R U . . .
C1C C 0.9440(4) 0.7930(3) 0.16815(12) 0.0195(10) Uani 1 1 d . . . . .
C2C C 0.9299(4) 0.7212(3) 0.17773(13) 0.0225(10) Uani 1 1 d . . . . .
H2C H 0.8622 0.7117 0.1702 0.027 Uiso 1 1 calc R U . . .
C3C C 1.0137(5) 0.6640(3) 0.19808(15) 0.0322(12) Uani 1 1 d . . . . .
H3C H 1.0032 0.6153 0.2045 0.039 Uiso 1 1 calc R U . . .
C4C C 1.1128(5) 0.6768(3) 0.20929(16) 0.0353(13) Uani 1 1 d . . . . .
H4C H 1.1701 0.6370 0.2232 0.042 Uiso 1 1 calc R U . . .
C5C C 1.1285(4) 0.7482(3) 0.20019(15) 0.0315(12) Uani 1 1 d . . . . .
H5C H 1.1964 0.7574 0.2079 0.038 Uiso 1 1 calc R U . . .
C6C C 1.0441(4) 0.8059(3) 0.17978(13) 0.0246(11) Uani 1 1 d . . . . .
H6C H 1.0544 0.8547 0.1736 0.030 Uiso 1 1 calc R U . . .
P2 P 0.45698(9) 0.84800(6) 0.13199(3) 0.0134(2) Uani 1 1 d . . . . .
C1D C 0.3387(4) 0.9274(2) 0.11093(13) 0.0180(9) Uani 1 1 d . . . . .
C2D C 0.3609(4) 0.9801(3) 0.08295(14) 0.0226(10) Uani 1 1 d . . . . .
H2D H 0.4371 0.9810 0.0791 0.027 Uiso 1 1 calc R U . . .
C3D C 0.2723(4) 1.0311(3) 0.06080(14) 0.0232(10) Uani 1 1 d . . . . .
H3D H 0.2881 1.0654 0.0413 0.028 Uiso 1 1 calc R U . . .
C4D C 0.1617(4) 1.0313(3) 0.06759(14) 0.0224(10) Uani 1 1 d . . . . .
H4D H 0.1010 1.0666 0.0529 0.027 Uiso 1 1 calc R U . . .
C5D C 0.1374(4) 0.9812(3) 0.09530(15) 0.0263(11) Uani 1 1 d . . . . .
H5D H 0.0605 0.9829 0.1000 0.032 Uiso 1 1 calc R U . . .
C6D C 0.2262(4) 0.9281(3) 0.11643(13) 0.0223(10) Uani 1 1 d . . . . .
H6D H 0.2097 0.8919 0.1348 0.027 Uiso 1 1 calc R U . . .
C1E C 0.4344(4) 0.7728(2) 0.10567(13) 0.0172(9) Uani 1 1 d . . . . .
C2E C 0.4790(4) 0.7662(3) 0.07036(13) 0.0196(10) Uani 1 1 d . . . . .
H2E H 0.5190 0.8004 0.0603 0.024 Uiso 1 1 calc R U . . .
C3E C 0.4666(4) 0.7111(3) 0.04943(14) 0.0247(11) Uani 1 1 d . . . . .
H3E H 0.4986 0.7074 0.0253 0.030 Uiso 1 1 calc R U . . .
C4E C 0.4077(4) 0.6608(3) 0.06345(14) 0.0270(11) Uani 1 1 d . . . . .
H4E H 0.4023 0.6209 0.0497 0.032 Uiso 1 1 calc R U . . .
C5E C 0.3573(5) 0.6702(3) 0.09775(16) 0.0354(13) Uani 1 1 d . . . . .
H5E H 0.3123 0.6385 0.1069 0.043 Uiso 1 1 calc R U . . .
C6E C 0.3707(5) 0.7248(3) 0.11933(14) 0.0265(11) Uani 1 1 d . . . . .
H6E H 0.3369 0.7295 0.1432 0.032 Uiso 1 1 calc R U . . .
C1F C 0.4133(4) 0.8222(3) 0.17933(12) 0.0186(9) Uani 1 1 d . . . . .
C2F C 0.4581(4) 0.7471(3) 0.19567(13) 0.0213(10) Uani 1 1 d . . . . .
H2F H 0.5036 0.7097 0.1812 0.026 Uiso 1 1 calc R U . . .
C3F C 0.4379(4) 0.7258(3) 0.23251(14) 0.0251(11) Uani 1 1 d . . . . .
H3F H 0.4686 0.6742 0.2431 0.030 Uiso 1 1 calc R U . . .
C4F C 0.3721(4) 0.7807(3) 0.25410(14) 0.0268(11) Uani 1 1 d . . . . .
H4F H 0.3568 0.7667 0.2794 0.032 Uiso 1 1 calc R U . . .
C5F C 0.3289(4) 0.8566(3) 0.23805(14) 0.0276(11) Uani 1 1 d . . . . .
H5F H 0.2857 0.8946 0.2527 0.033 Uiso 1 1 calc R U . . .
C6F C 0.3489(4) 0.8762(3) 0.20119(14) 0.0245(11) Uani 1 1 d . . . . .
H6F H 0.3179 0.9277 0.1905 0.029 Uiso 1 1 calc R U . . .
P3 P 0.43133(9) 0.68431(6) 0.41823(3) 0.0141(2) Uani 1 1 d . . . . .
C1G C 0.3303(4) 0.7425(3) 0.38156(13) 0.0192(10) Uani 1 1 d . . . . .
C2G C 0.3369(4) 0.8154(3) 0.36810(13) 0.0226(10) Uani 1 1 d . . . . .
H2G H 0.3980 0.8313 0.3765 0.027 Uiso 1 1 calc R U . . .
C3G C 0.2569(4) 0.8643(3) 0.34299(14) 0.0256(11) Uani 1 1 d . . . . .
H3G H 0.2633 0.9133 0.3342 0.031 Uiso 1 1 calc R U . . .
C4G C 0.1676(4) 0.8418(3) 0.33070(14) 0.0269(11) Uani 1 1 d . . . . .
H4G H 0.1118 0.8756 0.3137 0.032 Uiso 1 1 calc R U . . .
C5G C 0.1589(4) 0.7702(3) 0.34303(14) 0.0304(12) Uani 1 1 d . . . . .
H5G H 0.0980 0.7545 0.3342 0.037 Uiso 1 1 calc R U . . .
C6G C 0.2400(4) 0.7208(3) 0.36866(14) 0.0239(10) Uani 1 1 d . . . . .
H6G H 0.2332 0.6718 0.3773 0.029 Uiso 1 1 calc R U . . .
C1H C 0.3448(4) 0.7080(2) 0.45959(12) 0.0172(9) Uani 1 1 d . . . . .
C2H C 0.3735(4) 0.7503(3) 0.48527(13) 0.0217(10) Uani 1 1 d . . . . .
H2H H 0.4413 0.7648 0.4825 0.026 Uiso 1 1 calc R U . . .
C3H C 0.3014(4) 0.7715(3) 0.51539(14) 0.0279(11) Uani 1 1 d . . . . .
H3H H 0.3220 0.7996 0.5332 0.034 Uiso 1 1 calc R U . . .
C4H C 0.2023(4) 0.7525(3) 0.51970(14) 0.0331(13) Uani 1 1 d . . . . .
H4H H 0.1535 0.7683 0.5399 0.040 Uiso 1 1 calc R U . . .
C5H C 0.1742(4) 0.7097(4) 0.49410(15) 0.0366(14) Uani 1 1 d . . . . .
H5H H 0.1058 0.6959 0.4969 0.044 Uiso 1 1 calc R U . . .
C6H C 0.2452(4) 0.6871(3) 0.46438(15) 0.0317(12) Uani 1 1 d . . . . .
H6H H 0.2257 0.6572 0.4472 0.038 Uiso 1 1 calc R U . . .
C1I C 0.4325(4) 0.5857(3) 0.41392(15) 0.0228(10) Uani 1 1 d . . . . .
C2I C 0.4346(4) 0.5603(3) 0.37876(17) 0.0330(13) Uani 1 1 d . . . . .
H2I H 0.4251 0.5953 0.3567 0.040 Uiso 1 1 calc R U . . .
C3I C 0.4507(5) 0.4834(4) 0.3763(2) 0.054(2) Uani 1 1 d . . . . .
H3I H 0.4511 0.4662 0.3524 0.065 Uiso 1 1 calc R U . . .
C4I C 0.4657(6) 0.4320(4) 0.4074(3) 0.064(2) Uani 1 1 d . . . . .
H4I H 0.4761 0.3796 0.4052 0.077 Uiso 1 1 calc R U . . .
C5I C 0.4657(5) 0.4573(3) 0.4425(3) 0.059(2) Uani 1 1 d . . . . .
H5I H 0.4779 0.4217 0.4644 0.071 Uiso 1 1 calc R U . . .
C6I C 0.4480(5) 0.5338(3) 0.44576(19) 0.0384(14) Uani 1 1 d . . . . .
H6I H 0.4466 0.5508 0.4698 0.046 Uiso 1 1 calc R U . . .
P4 P 0.81726(9) 0.69841(6) 0.41217(3) 0.0139(2) Uani 1 1 d . . . . .
C1J C 0.9364(4) 0.6121(2) 0.42569(12) 0.0163(9) Uani 1 1 d . . . . .
C2J C 0.9197(4) 0.5494(3) 0.44798(12) 0.0200(10) Uani 1 1 d . . . . .
H2J H 0.8456 0.5515 0.4567 0.024 Uiso 1 1 calc R U . . .
C3J C 1.0110(4) 0.4843(3) 0.45735(13) 0.0252(11) Uani 1 1 d . . . . .
H3J H 0.9987 0.4422 0.4726 0.030 Uiso 1 1 calc R U . . .
C4J C 1.1190(4) 0.4795(3) 0.44491(14) 0.0287(12) Uani 1 1 d . . . . .
H4J H 1.1803 0.4339 0.4507 0.034 Uiso 1 1 calc R U . . .
C5J C 1.1374(4) 0.5425(3) 0.42370(16) 0.0340(13) Uani 1 1 d . . . . .
H5J H 1.2122 0.5403 0.4156 0.041 Uiso 1 1 calc R U . . .
C6J C 1.0478(4) 0.6081(3) 0.41432(16) 0.0311(12) Uani 1 1 d . . . . .
H6J H 1.0616 0.6509 0.4001 0.037 Uiso 1 1 calc R U . . .
C1K C 0.8527(4) 0.7682(3) 0.43834(13) 0.0194(10) Uani 1 1 d . . . . .
C2K C 0.8057(4) 0.7801(3) 0.47328(15) 0.0316(12) Uani 1 1 d . . . . .
H2K H 0.7559 0.7522 0.4828 0.038 Uiso 1 1 calc R U . . .
C3K C 0.8294(5) 0.8319(3) 0.49488(17) 0.0401(14) Uani 1 1 d . . . . .
H3K H 0.7975 0.8379 0.5190 0.048 Uiso 1 1 calc R U . . .
C4K C 0.8985(5) 0.8740(3) 0.48143(19) 0.0431(16) Uani 1 1 d . . . . .
H4K H 0.9139 0.9101 0.4957 0.052 Uiso 1 1 calc R U . . .
C5K C 0.9445(6) 0.8633(4) 0.44740(18) 0.0474(17) Uani 1 1 d . . . . .
H5K H 0.9923 0.8928 0.4380 0.057 Uiso 1 1 calc R U . . .
C6K C 0.9244(5) 0.8105(3) 0.42561(15) 0.0366(14) Uani 1 1 d . . . . .
H6K H 0.9599 0.8036 0.4021 0.044 Uiso 1 1 calc R U . . .
C1L C 0.8505(4) 0.7234(3) 0.36356(13) 0.0198(10) Uani 1 1 d . . . . .
C2L C 0.8954(4) 0.6648(3) 0.34050(14) 0.0243(11) Uani 1 1 d . . . . .
H2L H 0.9151 0.6129 0.3510 0.029 Uiso 1 1 calc R U . . .
C3L C 0.9109(5) 0.6821(3) 0.30314(14) 0.0308(12) Uani 1 1 d . . . . .
H3L H 0.9397 0.6421 0.2879 0.037 Uiso 1 1 calc R U . . .
C4L C 0.8851(4) 0.7571(3) 0.28745(14) 0.0266(11) Uani 1 1 d . . . . .
H4L H 0.8989 0.7685 0.2617 0.032 Uiso 1 1 calc R U . . .
C5L C 0.8391(4) 0.8157(3) 0.30923(14) 0.0258(11) Uani 1 1 d . . . . .
H5L H 0.8197 0.8674 0.2984 0.031 Uiso 1 1 calc R U . . .
C6L C 0.8215(4) 0.7988(3) 0.34707(12) 0.0191(10) Uani 1 1 d . . . . .
H6L H 0.7892 0.8392 0.3619 0.023 Uiso 1 1 calc R U . . .
P5 P 1.02824(9) 0.12338(6) 0.35938(3) 0.0140(2) Uani 1 1 d . . . . .
C1M C 1.1059(4) 0.1020(2) 0.31612(13) 0.0170(9) Uani 1 1 d . . . . .
C2M C 1.0690(4) 0.0649(3) 0.28941(14) 0.0219(10) Uani 1 1 d . . . . .
H2M H 0.9994 0.0527 0.2928 0.026 Uiso 1 1 calc R U . . .
C3M C 1.1330(4) 0.0458(3) 0.25796(14) 0.0265(11) Uani 1 1 d . . . . .
H3M H 1.1071 0.0204 0.2400 0.032 Uiso 1 1 calc R U . . .
C4M C 1.2334(4) 0.0631(3) 0.25256(14) 0.0270(11) Uani 1 1 d . . . . .
H4M H 1.2766 0.0496 0.2309 0.032 Uiso 1 1 calc R U . . .
C5M C 1.2722(4) 0.1001(3) 0.27835(14) 0.0276(11) Uani 1 1 d . . . . .
H5M H 1.3419 0.1120 0.2747 0.033 Uiso 1 1 calc R U . . .
C6M C 1.2074(4) 0.1198(3) 0.30993(13) 0.0232(10) Uani 1 1 d . . . . .
H6M H 1.2332 0.1458 0.3276 0.028 Uiso 1 1 calc R U . . .
C1N C 1.1317(4) 0.0586(3) 0.39356(12) 0.0183(9) Uani 1 1 d . . . . .
C2N C 1.1163(4) -0.0115(3) 0.40732(15) 0.0273(11) Uani 1 1 d . . . . .
H2N H 1.0514 -0.0239 0.3993 0.033 Uiso 1 1 calc R U . . .
C3N C 1.1944(4) -0.0632(3) 0.43248(16) 0.0323(12) Uani 1 1 d . . . . .
H3N H 1.1821 -0.1101 0.4420 0.039 Uiso 1 1 calc R U . . .
C4N C 1.2896(4) -0.0461(3) 0.44360(14) 0.0287(12) Uani 1 1 d . . . . .
H4N H 1.3426 -0.0811 0.4610 0.034 Uiso 1 1 calc R U . . .
C5N C 1.3088(4) 0.0218(3) 0.42951(15) 0.0306(12) Uani 1 1 d . . . . .
H5N H 1.3753 0.0329 0.4370 0.037 Uiso 1 1 calc R U . . .
C6N C 1.2305(4) 0.0737(3) 0.40442(14) 0.0245(11) Uani 1 1 d . . . . .
H6N H 1.2445 0.1199 0.3946 0.029 Uiso 1 1 calc R U . . .
C1O C 1.0397(4) 0.2176(3) 0.36633(14) 0.0204(10) Uani 1 1 d . . . . .
C2O C 1.0267(4) 0.2735(3) 0.33630(15) 0.0264(11) Uani 1 1 d . . . . .
H2O H 1.0216 0.2611 0.3116 0.032 Uiso 1 1 calc R U . . .
C3O C 1.0211(5) 0.3481(3) 0.34208(18) 0.0415(14) Uani 1 1 d . . . . .
H3O H 1.0119 0.3862 0.3213 0.050 Uiso 1 1 calc R U . . .
C4O C 1.0287(5) 0.3665(3) 0.37782(18) 0.0421(15) Uani 1 1 d . . . . .
H4O H 1.0258 0.4170 0.3818 0.051 Uiso 1 1 calc R U . . .
C5O C 1.0405(5) 0.3106(3) 0.40789(17) 0.0343(13) Uani 1 1 d . . . . .
H5O H 1.0453 0.3233 0.4326 0.041 Uiso 1 1 calc R U . . .
C6O C 1.0454(4) 0.2365(3) 0.40262(14) 0.0271(11) Uani 1 1 d . . . . .
H6O H 1.0525 0.1989 0.4235 0.033 Uiso 1 1 calc R U . . .
P6 P 0.63388(9) 0.12961(6) 0.35893(3) 0.0137(2) Uani 1 1 d . . . . .
C1P C 0.5695(4) 0.1239(3) 0.40488(13) 0.0209(10) Uani 1 1 d . . . . .
C2P C 0.6147(4) 0.0592(3) 0.43044(13) 0.0225(10) Uani 1 1 d . . . . .
H2P H 0.6744 0.0175 0.4230 0.027 Uiso 1 1 calc R U . . .
C3P C 0.5742(4) 0.0551(3) 0.46605(14) 0.0292(12) Uani 1 1 d . . . . .
H3P H 0.6060 0.0105 0.4830 0.035 Uiso 1 1 calc R U . . .
C4P C 0.4866(5) 0.1159(4) 0.47758(15) 0.0338(13) Uani 1 1 d . . . . .
H4P H 0.4584 0.1130 0.5022 0.041 Uiso 1 1 calc R U . . .
C5P C 0.4421(5) 0.1795(3) 0.45271(15) 0.0310(12) Uani 1 1 d . . . . .
H5P H 0.3828 0.2210 0.4605 0.037 Uiso 1 1 calc R U . . .
C6P C 0.4814(4) 0.1849(3) 0.41652(14) 0.0250(11) Uani 1 1 d . . . . .
H6P H 0.4489 0.2296 0.3997 0.030 Uiso 1 1 calc R U . . .
C1Q C 0.5999(4) 0.0555(2) 0.33519(13) 0.0169(9) Uani 1 1 d . . . . .
C2Q C 0.5465(4) 0.0053(3) 0.35178(14) 0.0257(11) Uani 1 1 d . . . . .
H2Q H 0.5292 0.0052 0.3776 0.031 Uiso 1 1 calc R U . . .
C3Q C 0.5177(5) -0.0457(3) 0.33095(15) 0.0303(12) Uani 1 1 d . . . . .
H3Q H 0.4820 -0.0810 0.3427 0.036 Uiso 1 1 calc R U . . .
C4Q C 0.5409(4) -0.0451(3) 0.29337(14) 0.0246(11) Uani 1 1 d . . . . .
H4Q H 0.5190 -0.0789 0.2791 0.030 Uiso 1 1 calc R U . . .
C5Q C 0.5958(4) 0.0046(3) 0.27640(14) 0.0246(11) Uani 1 1 d . . . . .
H5Q H 0.6123 0.0047 0.2505 0.030 Uiso 1 1 calc R U . . .
C6Q C 0.6270(4) 0.0543(3) 0.29731(13) 0.0197(10) Uani 1 1 d . . . . .
H6Q H 0.6667 0.0875 0.2859 0.024 Uiso 1 1 calc R U . . .
C1R C 0.5325(4) 0.2144(3) 0.33331(13) 0.0199(10) Uani 1 1 d . . . . .
C2R C 0.5604(4) 0.2802(2) 0.32019(12) 0.0195(10) Uani 1 1 d . . . . .
H2R H 0.6348 0.2830 0.3249 0.023 Uiso 1 1 calc R U . . .
C3R C 0.4815(4) 0.3412(3) 0.30042(14) 0.0268(11) Uani 1 1 d . . . . .
H3R H 0.5016 0.3860 0.2919 0.032 Uiso 1 1 calc R U . . .
C4R C 0.3728(5) 0.3378(3) 0.29279(16) 0.0359(13) Uani 1 1 d . . . . .
H4R H 0.3191 0.3795 0.2786 0.043 Uiso 1 1 calc R U . . .
C5R C 0.3435(5) 0.2731(3) 0.30610(17) 0.0374(14) Uani 1 1 d . . . . .
H5R H 0.2685 0.2709 0.3017 0.045 Uiso 1 1 calc R U . . .
C6R C 0.4223(4) 0.2121(3) 0.32564(16) 0.0300(12) Uani 1 1 d . . . . .
H6R H 0.4017 0.1675 0.3341 0.036 Uiso 1 1 calc R U . . .
P7 P 1.00352(9) 0.32223(6) 0.07853(3) 0.0138(2) Uani 1 1 d . . . . .
C1S C 0.9977(4) 0.4206(3) 0.08521(13) 0.0182(9) Uani 1 1 d . . . . .
C2S C 0.9974(4) 0.4413(3) 0.12117(14) 0.0255(11) Uani 1 1 d . . . . .
H2S H 1.0030 0.4041 0.1422 0.031 Uiso 1 1 calc R U . . .
C3S C 0.9889(5) 0.5162(3) 0.12662(16) 0.0331(13) Uani 1 1 d . . . . .
H3S H 0.9887 0.5298 0.1513 0.040 Uiso 1 1 calc R U . . .
C4S C 0.9807(4) 0.5706(3) 0.09642(17) 0.0332(13) Uani 1 1 d . . . . .
H4S H 0.9765 0.6214 0.1003 0.040 Uiso 1 1 calc R U . . .
C5S C 0.9787(4) 0.5508(3) 0.06029(16) 0.0276(11) Uani 1 1 d . . . . .
H5S H 0.9721 0.5882 0.0393 0.033 Uiso 1 1 calc R U . . .
C6S C 0.9862(4) 0.4760(3) 0.05509(14) 0.0223(10) Uani 1 1 d . . . . .
H6S H 0.9835 0.4627 0.0304 0.027 Uiso 1 1 calc R U . . .
C1T C 1.0906(4) 0.3038(2) 0.03698(12) 0.0155(9) Uani 1 1 d . . . . .
C2T C 1.0771(4) 0.2508(3) 0.01387(13) 0.0192(10) Uani 1 1 d . . . . .
H2T H 1.0181 0.2278 0.0186 0.023 Uiso 1 1 calc R U . . .
C3T C 1.1491(4) 0.2320(3) -0.01571(13) 0.0220(10) Uani 1 1 d . . . . .
H3T H 1.1395 0.1959 -0.0312 0.026 Uiso 1 1 calc R U . . .
C4T C 1.2348(4) 0.2651(3) -0.02289(14) 0.0250(11) Uani 1 1 d . . . . .
H4T H 1.2840 0.2519 -0.0433 0.030 Uiso 1 1 calc R U . . .
C5T C 1.2493(4) 0.3177(3) -0.00026(14) 0.0238(10) Uani 1 1 d . . . . .
H5T H 1.3079 0.3411 -0.0054 0.029 Uiso 1 1 calc R U . . .
C6T C 1.1796(4) 0.3361(3) 0.02943(13) 0.0194(10) Uani 1 1 d . . . . .
H6T H 1.1914 0.3712 0.0452 0.023 Uiso 1 1 calc R U . . .
C1U C 1.1099(4) 0.2644(3) 0.11380(12) 0.0190(10) Uani 1 1 d . . . . .
C2U C 1.2011(4) 0.2872(3) 0.12453(14) 0.0277(11) Uani 1 1 d . . . . .
H2U H 1.2045 0.3367 0.1154 0.033 Uiso 1 1 calc R U . . .
C3U C 1.2877(4) 0.2395(3) 0.14824(14) 0.0315(12) Uani 1 1 d . . . . .
H3U H 1.3483 0.2570 0.1557 0.038 Uiso 1 1 calc R U . . .
C4U C 1.2857(5) 0.1668(3) 0.16083(16) 0.0354(13) Uani 1 1 d . . . . .
H4U H 1.3452 0.1336 0.1768 0.042 Uiso 1 1 calc R U . . .
C5U C 1.1964(5) 0.1429(3) 0.15006(17) 0.0398(14) Uani 1 1 d . . . . .
H5U H 1.1952 0.0926 0.1585 0.048 Uiso 1 1 calc R U . . .
C6U C 1.1091(5) 0.1905(3) 0.12741(15) 0.0298(12) Uani 1 1 d . . . . .
H6U H 1.0473 0.1732 0.1209 0.036 Uiso 1 1 calc R U . . .
P8 P 0.62719(10) 0.29125(6) 0.08721(3) 0.0142(2) Uani 1 1 d . . . . .
C1V C 0.5970(4) 0.2683(3) 0.13646(13) 0.0185(9) Uani 1 1 d . . . . .
C2V C 0.6013(4) 0.1944(3) 0.15122(13) 0.0212(10) Uani 1 1 d . . . . .
H2V H 0.6155 0.1550 0.1353 0.025 Uiso 1 1 calc R U . . .
C3V C 0.5848(4) 0.1781(3) 0.18951(14) 0.0275(11) Uani 1 1 d . . . . .
H3V H 0.5895 0.1274 0.1995 0.033 Uiso 1 1 calc R U . . .
C4V C 0.5616(4) 0.2355(3) 0.21291(14) 0.0282(11) Uani 1 1 d . . . . .
H4V H 0.5466 0.2249 0.2386 0.034 Uiso 1 1 calc R U . . .
C5V C 0.5606(4) 0.3085(3) 0.19839(14) 0.0300(12) Uani 1 1 d . . . . .
H5V H 0.5476 0.3475 0.2145 0.036 Uiso 1 1 calc R U . . .
C6V C 0.5782(4) 0.3252(3) 0.16049(13) 0.0246(11) Uani 1 1 d . . . . .
H6V H 0.5775 0.3754 0.1509 0.030 Uiso 1 1 calc R U . . .
C1W C 0.5021(4) 0.3726(2) 0.07122(13) 0.0188(10) Uani 1 1 d . . . . .
C2W C 0.4073(4) 0.4010(3) 0.09252(14) 0.0224(10) Uani 1 1 d . . . . .
H2W H 0.4071 0.3811 0.1180 0.027 Uiso 1 1 calc R U . . .
C3W C 0.3112(4) 0.4587(3) 0.07683(15) 0.0280(11) Uani 1 1 d . . . . .
H3W H 0.2476 0.4790 0.0919 0.034 Uiso 1 1 calc R U . . .
C4W C 0.3093(4) 0.4859(3) 0.03941(16) 0.0299(12) Uani 1 1 d . . . . .
H4W H 0.2439 0.5241 0.0285 0.036 Uiso 1 1 calc R U . . .
C5W C 0.4036(4) 0.4571(3) 0.01800(14) 0.0259(11) Uani 1 1 d . . . . .
H5W H 0.4022 0.4752 -0.0078 0.031 Uiso 1 1 calc R U . . .
C6W C 0.4994(4) 0.4025(3) 0.03367(13) 0.0215(10) Uani 1 1 d . . . . .
H6W H 0.5645 0.3848 0.0188 0.026 Uiso 1 1 calc R U . . .
C1Z C 0.5899(4) 0.2185(2) 0.06384(13) 0.0200(10) Uani 1 1 d . . . . .
C2Z C 0.4845(4) 0.2067(3) 0.07099(15) 0.0273(11) Uani 1 1 d . . . . .
H2Z H 0.4350 0.2348 0.0884 0.033 Uiso 1 1 calc R U . . .
C3Z C 0.4514(5) 0.1541(3) 0.05286(17) 0.0372(13) Uani 1 1 d . . . . .
H3Z H 0.3796 0.1460 0.0581 0.045 Uiso 1 1 calc R U . . .
C4Z C 0.5221(5) 0.1135(3) 0.02722(16) 0.0353(13) Uani 1 1 d . . . . .
H4Z H 0.4992 0.0772 0.0150 0.042 Uiso 1 1 calc R U . . .
C5Z C 0.6258(5) 0.1253(3) 0.01929(16) 0.0337(13) Uani 1 1 d . . . . .
H5Z H 0.6745 0.0973 0.0017 0.040 Uiso 1 1 calc R U . . .
C6Z C 0.6589(4) 0.1787(3) 0.03733(14) 0.0256(11) Uani 1 1 d . . . . .
H6Z H 0.7295 0.1878 0.0314 0.031 Uiso 1 1 calc R U . . .
O11 O 0.2311(6) 0.4852(4) 0.22215(18) 0.099(2) Uani 1 1 d . . . . .
H11 H 0.2016 0.4498 0.2271 0.149 Uiso 1 1 d R U . . .
C11 C 0.2809(9) 0.4796(7) 0.1856(3) 0.101(4) Uani 1 1 d . . . . .
H11A H 0.2233 0.5086 0.1662 0.121 Uiso 1 1 calc R U . . .
H11B H 0.3079 0.4255 0.1806 0.121 Uiso 1 1 calc R U . . .
C21 C 0.3848(10) 0.5138(6) 0.1850(3) 0.111(4) Uani 1 1 d . . . . .
H21A H 0.4201 0.5105 0.1603 0.167 Uiso 1 1 calc R U . . .
H21B H 0.3572 0.5674 0.1898 0.167 Uiso 1 1 calc R U . . .
H21C H 0.4415 0.4846 0.2042 0.167 Uiso 1 1 calc R U . . .
O12 O 0.3166(9) 0.5401(4) 0.2806(2) 0.155(4) Uani 1 1 d D . . . .
H12 H 0.3053 0.5077 0.2678 0.232 Uiso 1 1 calc R U . . .
C12 C 0.2191(8) 0.5655(6) 0.3057(3) 0.103(4) Uani 1 1 d D . . . .
H12A H 0.2478 0.5765 0.3294 0.124 Uiso 1 1 calc R U . . .
H12B H 0.1652 0.6136 0.2938 0.124 Uiso 1 1 calc R U . . .
C22 C 0.1569(12) 0.5091(7) 0.3145(4) 0.165(8) Uani 1 1 d . . . . .
H22A H 0.0938 0.5293 0.3311 0.247 Uiso 1 1 calc R U . . .
H22B H 0.1264 0.4987 0.2913 0.247 Uiso 1 1 calc R U . . .
H22C H 0.2091 0.4616 0.3269 0.247 Uiso 1 1 calc R U . . .
O13 O 0.0370(9) 0.4460(5) 0.2308(3) 0.168(4) Uani 1 1 d D . . . .
H13 H -0.0250 0.4819 0.2322 0.252 Uiso 1 1 d R U . . .
C13 C 0.0099(9) 0.3737(5) 0.2317(3) 0.119(4) Uani 1 1 d D . . . .
H13A H -0.0207 0.3626 0.2566 0.143 Uiso 1 1 calc R U . . .
H13B H -0.0513 0.3804 0.2129 0.143 Uiso 1 1 calc R U . . .
C23 C 0.1025(9) 0.3100(6) 0.2247(3) 0.112(4) Uani 1 1 d D . . . .
H23A H 0.0766 0.2646 0.2259 0.168 Uiso 1 1 calc R U . . .
H23B H 0.1323 0.3195 0.1999 0.168 Uiso 1 1 calc R U . . .
H23C H 0.1630 0.3017 0.2437 0.168 Uiso 1 1 calc R U . . .
O14 O 0.8393(7) 0.5555(5) 0.2347(2) 0.086(3) Uani 0.7 1 d D . P A 1
H14 H 0.8018 0.5516 0.2542 0.129 Uiso 0.7 1 d R U P A 1
C14 C 0.7586(8) 0.5832(7) 0.2024(3) 0.059(3) Uani 0.7 1 d D . P A 1
H14A H 0.7104 0.6356 0.2058 0.070 Uiso 0.7 1 calc R U P A 1
H14B H 0.8037 0.5870 0.1797 0.070 Uiso 0.7 1 calc R U P A 1
C24 C 0.6849(11) 0.5397(8) 0.1956(4) 0.089(4) Uiso 0.7 1 d D . P A 1
H24A H 0.6363 0.5642 0.1736 0.133 Uiso 0.7 1 calc R U P A 1
H24B H 0.7306 0.4880 0.1912 0.133 Uiso 0.7 1 calc R U P A 1
H24C H 0.6369 0.5368 0.2174 0.133 Uiso 0.7 1 calc R U P A 1
O15 O 0.7508(18) 0.4257(10) 0.2276(5) 0.083(6) Uiso 0.3 1 d D . P B 2
H15 H 0.6929 0.4114 0.2325 0.125 Uiso 0.3 1 calc R U P B 2
C15 C 0.729(2) 0.4788(12) 0.1926(5) 0.050(5) Uiso 0.3 1 d D . P B 2
H15A H 0.7747 0.4518 0.1726 0.060 Uiso 0.3 1 calc R U P B 2
H15B H 0.6476 0.4912 0.1854 0.060 Uiso 0.3 1 calc R U P B 2
C25 C 0.755(6) 0.548(2) 0.1940(13) 0.19(3) Uiso 0.3 1 d D . P B 2
H25A H 0.6864 0.5730 0.2075 0.291 Uiso 0.3 1 d R U P B 2
H25B H 0.7563 0.5787 0.1700 0.291 Uiso 0.3 1 d R U P B 2
H25C H 0.8231 0.5441 0.2089 0.291 Uiso 0.3 1 d R U P B 2
O16 O 0.7085(11) 0.5707(6) 0.2952(4) 0.110(4) Uiso 0.65 1 d D . P C 3
H16 H 0.7800 0.5528 0.2953 0.166 Uiso 0.65 1 calc R U P C 3
C16 C 0.6582(12) 0.5083(7) 0.3053(5) 0.088(4) Uiso 0.65 1 d D . P C 3
H16A H 0.6444 0.5051 0.3325 0.106 Uiso 0.65 1 calc R U P C 3
H16B H 0.5831 0.5215 0.2923 0.106 Uiso 0.65 1 calc R U P C 3
C26 C 0.7247(10) 0.4356(6) 0.2967(3) 0.059(3) Uiso 0.65 1 d D . P C 3
H26A H 0.6847 0.3980 0.3044 0.088 Uiso 0.65 1 calc R U P C 3
H26B H 0.7372 0.4374 0.2697 0.088 Uiso 0.65 1 calc R U P C 3
H26C H 0.7985 0.4209 0.3100 0.088 Uiso 0.65 1 calc R U P C 3
O17 O 0.7555(17) 0.5290(17) 0.3015(7) 0.118(8) Uiso 0.35 1 d D . P D 4
H17 H 0.7833 0.5233 0.3232 0.176 Uiso 0.35 1 calc R U P D 4
C17 C 0.6339(19) 0.531(2) 0.3036(6) 0.088(4) Uiso 0.35 1 d D . P D 4
H15C H 0.6268 0.4946 0.3250 0.106 Uiso 0.35 1 calc R U P D 4
H15D H 0.5892 0.5830 0.3096 0.106 Uiso 0.35 1 calc R U P D 4
C27 C 0.5816(17) 0.5156(12) 0.2720(5) 0.060(5) Uiso 0.35 1 d D . P D 4
H35A H 0.5018 0.5192 0.2773 0.089 Uiso 0.35 1 calc R U P D 4
H35B H 0.5845 0.5527 0.2506 0.089 Uiso 0.35 1 calc R U P D 4
H35C H 0.6223 0.4639 0.2661 0.089 Uiso 0.35 1 calc R U P D 4


_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
Re1 C2 1.931(5) . ?
Re1 C1 1.946(5) . ?
Re1 C70 2.100(5) . ?
Re1 C10 2.112(5) . ?
Re1 P1 2.4166(12) . ?
Re1 P2 2.4222(12) . ?
C1 O1 1.153(6) . ?
C2 O2 1.168(6) . ?
Re2 C3 1.928(5) . ?
Re2 C4 1.936(5) . ?
Re2 C40 2.103(5) . ?
Re2 C20 2.105(5) . ?
Re2 P4 2.4115(12) . ?
Re2 P3 2.4194(12) . ?
C3 O3 1.158(6) . ?
C4 O4 1.166(5) . ?
Re3 C6 1.938(5) . ?
Re3 C5 1.942(5) . ?
Re3 C30 2.103(5) . ?
Re3 C60 2.110(5) . ?
Re3 P5 2.4058(12) . ?
Re3 P6 2.4109(12) . ?
C5 O5 1.164(6) . ?
C6 O6 1.155(6) . ?
Re4 C8 1.922(5) . ?
Re4 C7 1.933(5) . ?
Re4 C50 2.107(5) . ?
Re4 C80 2.107(5) . ?
Re4 P8 2.4164(12) . ?
Re4 P7 2.4224(12) . ?
C7 O7 1.153(6) . ?
C8 O8 1.161(5) . ?
Ag1 N2 2.052(4) . ?
Ag1 N1 2.054(4) . ?
N1 C10 1.134(6) . ?
N2 C20 1.149(6) . ?
Ag2 N3 2.043(4) . ?
Ag2 N4 2.044(4) . ?
N3 C30 1.145(6) . ?
N4 C40 1.147(6) . ?
Ag3 N6 2.042(4) . ?
Ag3 N5 2.056(4) . ?
N5 C50 1.136(6) . ?
N6 C60 1.145(6) . ?
Ag4 N8 2.045(4) . ?
Ag4 N7 2.049(4) . ?
N7 C70 1.145(6) . ?
N8 C80 1.154(6) . ?
P1 C1C 1.841(5) . ?
P1 C1A 1.842(5) . ?
P1 C1B 1.848(5) . ?
C1A C2A 1.395(6) . ?
C1A C6A 1.402(6) . ?
C2A C3A 1.375(6) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.382(7) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.380(7) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.387(7) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C2B 1.379(6) . ?
C1B C6B 1.392(6) . ?
C2B C3B 1.385(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.395(7) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.380(7) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.393(7) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.393(7) . ?
C1C C6C 1.399(7) . ?
C2C C3C 1.380(7) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.381(8) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.393(8) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.389(7) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
P2 C1D 1.825(5) . ?
P2 C1F 1.834(4) . ?
P2 C1E 1.855(5) . ?
C1D C6D 1.388(6) . ?
C1D C2D 1.403(7) . ?
C2D C3D 1.394(7) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.376(7) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.375(7) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.393(7) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C2E 1.380(6) . ?
C1E C6E 1.396(6) . ?
C2E C3E 1.378(6) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.390(7) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.377(8) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.389(7) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C6F 1.387(6) . ?
C1F C2F 1.392(6) . ?
C2F C3F 1.380(7) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.396(7) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.399(7) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.374(7) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
P3 C1H 1.832(5) . ?
P3 C1G 1.833(5) . ?
P3 C1I 1.841(5) . ?
C1G C6G 1.390(7) . ?
C1G C2G 1.403(7) . ?
C2G C3G 1.380(7) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.380(7) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.382(8) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.402(7) . ?
C5G H5G 0.9500 . ?
C6G H6G 0.9500 . ?
C1H C2H 1.388(6) . ?
C1H C6H 1.393(7) . ?
C2H C3H 1.403(7) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.367(7) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.389(8) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.390(7) . ?
C5H H5H 0.9500 . ?
C6H H6H 0.9500 . ?
C1I C6I 1.385(7) . ?
C1I C2I 1.395(7) . ?
C2I C3I 1.388(8) . ?
C2I H2I 0.9500 . ?
C3I C4I 1.358(11) . ?
C3I H3I 0.9500 . ?
C4I C5I 1.397(11) . ?
C4I H4I 0.9500 . ?
C5I C6I 1.382(8) . ?
C5I H5I 0.9500 . ?
C6I H6I 0.9500 . ?
P4 C1L 1.831(5) . ?
P4 C1J 1.832(5) . ?
P4 C1K 1.834(5) . ?
C1J C2J 1.399(6) . ?
C1J C6J 1.405(7) . ?
C2J C3J 1.387(7) . ?
C2J H2J 0.9500 . ?
C3J C4J 1.374(7) . ?
C3J H3J 0.9500 . ?
C4J C5J 1.394(8) . ?
C4J H4J 0.9500 . ?
C5J C6J 1.381(7) . ?
C5J H5J 0.9500 . ?
C6J H6J 0.9500 . ?
C1K C6K 1.386(7) . ?
C1K C2K 1.388(7) . ?
C2K C3K 1.395(7) . ?
C2K H2K 0.9500 . ?
C3K C4K 1.363(9) . ?
C3K H3K 0.9500 . ?
C4K C5K 1.351(9) . ?
C4K H4K 0.9500 . ?
C5K C6K 1.396(8) . ?
C5K H5K 0.9500 . ?
C6K H6K 0.9500 . ?
C1L C6L 1.392(6) . ?
C1L C2L 1.412(7) . ?
C2L C3L 1.371(7) . ?
C2L H2L 0.9500 . ?
C3L C4L 1.379(7) . ?
C3L H3L 0.9500 . ?
C4L C5L 1.383(7) . ?
C4L H4L 0.9500 . ?
C5L C6L 1.391(7) . ?
C5L H5L 0.9500 . ?
C6L H6L 0.9500 . ?
P5 C1N 1.831(5) . ?
P5 C1M 1.832(5) . ?
P5 C1O 1.833(5) . ?
C1M C6M 1.391(6) . ?
C1M C2M 1.395(6) . ?
C2M C3M 1.386(7) . ?
C2M H2M 0.9500 . ?
C3M C4M 1.372(7) . ?
C3M H3M 0.9500 . ?
C4M C5M 1.380(7) . ?
C4M H4M 0.9500 . ?
C5M C6M 1.396(7) . ?
C5M H5M 0.9500 . ?
C6M H6M 0.9500 . ?
C1N C6N 1.395(7) . ?
C1N C2N 1.400(7) . ?
C2N C3N 1.389(7) . ?
C2N H2N 0.9500 . ?
C3N C4N 1.376(8) . ?
C3N H3N 0.9500 . ?
C4N C5N 1.386(8) . ?
C4N H4N 0.9500 . ?
C5N C6N 1.390(7) . ?
C5N H5N 0.9500 . ?
C6N H6N 0.9500 . ?
C1O C2O 1.384(7) . ?
C1O C6O 1.397(7) . ?
C2O C3O 1.397(7) . ?
C2O H2O 0.9500 . ?
C3O C4O 1.378(9) . ?
C3O H3O 0.9500 . ?
C4O C5O 1.386(8) . ?
C4O H4O 0.9500 . ?
C5O C6O 1.387(7) . ?
C5O H5O 0.9500 . ?
C6O H6O 0.9500 . ?
P6 C1P 1.829(5) . ?
P6 C1R 1.840(5) . ?
P6 C1Q 1.843(4) . ?
C1P C2P 1.396(7) . ?
C1P C6P 1.405(7) . ?
C2P C3P 1.370(7) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.398(8) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.368(8) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.385(7) . ?
C5P H5P 0.9500 . ?
C6P H6P 0.9500 . ?
C1Q C2Q 1.371(6) . ?
C1Q C6Q 1.400(6) . ?
C2Q C3Q 1.393(7) . ?
C2Q H2Q 0.9500 . ?
C3Q C4Q 1.378(7) . ?
C3Q H3Q 0.9500 . ?
C4Q C5Q 1.381(7) . ?
C4Q H4Q 0.9500 . ?
C5Q C6Q 1.390(7) . ?
C5Q H5Q 0.9500 . ?
C6Q H6Q 0.9500 . ?
C1R C2R 1.391(7) . ?
C1R C6R 1.399(7) . ?
C2R C3R 1.377(7) . ?
C2R H2R 0.9500 . ?
C3R C4R 1.388(8) . ?
C3R H3R 0.9500 . ?
C4R C5R 1.384(8) . ?
C4R H4R 0.9500 . ?
C5R C6R 1.372(7) . ?
C5R H5R 0.9500 . ?
C6R H6R 0.9500 . ?
P7 C1T 1.828(4) . ?
P7 C1U 1.833(5) . ?
P7 C1S 1.840(5) . ?
C1S C6S 1.381(7) . ?
C1S C2S 1.389(6) . ?
C2S C3S 1.391(7) . ?
C2S H2S 0.9500 . ?
C3S C4S 1.378(8) . ?
C3S H3S 0.9500 . ?
C4S C5S 1.392(8) . ?
C4S H4S 0.9500 . ?
C5S C6S 1.392(7) . ?
C5S H5S 0.9500 . ?
C6S H6S 0.9500 . ?
C1T C2T 1.400(6) . ?
C1T C6T 1.405(6) . ?
C2T C3T 1.381(6) . ?
C2T H2T 0.9500 . ?
C3T C4T 1.376(7) . ?
C3T H3T 0.9500 . ?
C4T C5T 1.388(7) . ?
C4T H4T 0.9500 . ?
C5T C6T 1.368(7) . ?
C5T H5T 0.9500 . ?
C6T H6T 0.9500 . ?
C1U C2U 1.383(7) . ?
C1U C6U 1.400(7) . ?
C2U C3U 1.388(7) . ?
C2U H2U 0.9500 . ?
C3U C4U 1.375(8) . ?
C3U H3U 0.9500 . ?
C4U C5U 1.375(8) . ?
C4U H4U 0.9500 . ?
C5U C6U 1.372(7) . ?
C5U H5U 0.9500 . ?
C6U H6U 0.9500 . ?
P8 C1Z 1.833(5) . ?
P8 C1V 1.835(5) . ?
P8 C1W 1.841(5) . ?
C1V C2V 1.394(6) . ?
C1V C6V 1.399(7) . ?
C2V C3V 1.402(7) . ?
C2V H2V 0.9500 . ?
C3V C4V 1.388(7) . ?
C3V H3V 0.9500 . ?
C4V C5V 1.387(7) . ?
C4V H4V 0.9500 . ?
C5V C6V 1.393(7) . ?
C5V H5V 0.9500 . ?
C6V H6V 0.9500 . ?
C1W C2W 1.383(6) . ?
C1W C6W 1.397(6) . ?
C2W C3W 1.405(7) . ?
C2W H2W 0.9500 . ?
C3W C4W 1.381(8) . ?
C3W H3W 0.9500 . ?
C4W C5W 1.383(7) . ?
C4W H4W 0.9500 . ?
C5W C6W 1.377(7) . ?
C5W H5W 0.9500 . ?
C6W H6W 0.9500 . ?
C1Z C6Z 1.388(7) . ?
C1Z C2Z 1.392(7) . ?
C2Z C3Z 1.387(7) . ?
C2Z H2Z 0.9500 . ?
C3Z C4Z 1.381(8) . ?
C3Z H3Z 0.9500 . ?
C4Z C5Z 1.376(8) . ?
C4Z H4Z 0.9500 . ?
C5Z C6Z 1.398(7) . ?
C5Z H5Z 0.9500 . ?
C6Z H6Z 0.9500 . ?
O11 C11 1.442(10) . ?
O11 H11 0.8401 . ?
C11 C21 1.585(15) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
O12 C12 1.481(8) . ?
O12 H12 0.8400 . ?
C12 C22 1.473(16) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
O13 C13 1.468(7) . ?
O13 H13 0.8504 . ?
C13 C23 1.411(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O14 C14 1.479(8) . ?
O14 H14 0.8400 . ?
C14 C24 1.420(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O15 C15 1.480(10) . ?
O15 H15 0.8400 . ?
C15 C25 1.416(12) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
O16 C16 1.474(9) . ?
O16 H16 0.8400 . ?
C16 C26 1.410(11) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
O17 C17 1.482(10) . ?
O17 H17 0.8400 . ?
C17 C27 1.416(12) . ?
C17 H15C 0.9900 . ?
C17 H15D 0.9900 . ?
C27 H35A 0.9800 . ?
C27 H35B 0.9800 . ?
C27 H35C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 Re1 C1 92.01(19) . . ?
C2 Re1 C70 175.19(18) . . ?
C1 Re1 C70 90.42(17) . . ?
C2 Re1 C10 89.46(19) . . ?
C1 Re1 C10 178.04(17) . . ?
C70 Re1 C10 88.20(17) . . ?
C2 Re1 P1 90.47(14) . . ?
C1 Re1 P1 93.47(13) . . ?
C70 Re1 P1 93.53(13) . . ?
C10 Re1 P1 85.23(12) . . ?
C2 Re1 P2 91.37(14) . . ?
C1 Re1 P2 93.32(13) . . ?
C70 Re1 P2 84.34(13) . . ?
C10 Re1 P2 87.93(12) . . ?
P1 Re1 P2 172.89(4) . . ?
O1 C1 Re1 179.6(4) . . ?
O2 C2 Re1 177.5(5) . . ?
C3 Re2 C4 92.74(18) . . ?
C3 Re2 C40 90.51(18) . . ?
C4 Re2 C40 175.70(18) . . ?
C3 Re2 C20 175.36(18) . . ?
C4 Re2 C20 91.85(18) . . ?
C40 Re2 C20 84.94(18) . . ?
C3 Re2 P4 92.44(13) . . ?
C4 Re2 P4 87.85(13) . . ?
C40 Re2 P4 89.20(14) . . ?
C20 Re2 P4 88.35(12) . . ?
C3 Re2 P3 92.01(13) . . ?
C4 Re2 P3 94.89(13) . . ?
C40 Re2 P3 87.81(14) . . ?
C20 Re2 P3 86.98(12) . . ?
P4 Re2 P3 174.66(4) . . ?
O3 C3 Re2 179.3(4) . . ?
O4 C4 Re2 177.1(4) . . ?
C6 Re3 C5 91.79(19) . . ?
C6 Re3 C30 178.23(18) . . ?
C5 Re3 C30 87.77(18) . . ?
C6 Re3 C60 95.16(18) . . ?
C5 Re3 C60 172.12(18) . . ?
C30 Re3 C60 85.40(17) . . ?
C6 Re3 P5 92.85(14) . . ?
C5 Re3 P5 90.74(13) . . ?
C30 Re3 P5 88.88(13) . . ?
C60 Re3 P5 85.21(12) . . ?
C6 Re3 P6 89.99(14) . . ?
C5 Re3 P6 94.40(13) . . ?
C30 Re3 P6 88.34(13) . . ?
C60 Re3 P6 89.33(12) . . ?
P5 Re3 P6 174.05(4) . . ?
O5 C5 Re3 176.0(4) . . ?
O6 C6 Re3 178.0(4) . . ?
C8 Re4 C7 91.01(18) . . ?
C8 Re4 C50 92.68(18) . . ?
C7 Re4 C50 175.28(18) . . ?
C8 Re4 C80 177.15(18) . . ?
C7 Re4 C80 89.76(18) . . ?
C50 Re4 C80 86.69(17) . . ?
C8 Re4 P8 89.51(14) . . ?
C7 Re4 P8 93.86(14) . . ?
C50 Re4 P8 89.12(13) . . ?
C80 Re4 P8 87.71(13) . . ?
C8 Re4 P7 93.88(14) . . ?
C7 Re4 P7 93.09(14) . . ?
C50 Re4 P7 83.72(13) . . ?
C80 Re4 P7 88.81(13) . . ?
P8 Re4 P7 172.21(4) . . ?
O7 C7 Re4 177.2(4) . . ?
O8 C8 Re4 177.6(4) . . ?
N2 Ag1 N1 177.67(17) . . ?
C10 N1 Ag1 163.9(4) . . ?
N1 C10 Re1 179.6(4) . . ?
C20 N2 Ag1 156.3(4) . . ?
N2 C20 Re2 177.4(4) . . ?
N3 Ag2 N4 175.78(18) . . ?
C30 N3 Ag2 169.3(4) . . ?
N3 C30 Re3 178.9(4) . . ?
C40 N4 Ag2 168.3(4) . . ?
N4 C40 Re2 179.3(5) . . ?
N6 Ag3 N5 171.57(17) . . ?
C50 N5 Ag3 156.8(4) . . ?
N5 C50 Re4 179.3(4) . . ?
C60 N6 Ag3 173.3(4) . . ?
N6 C60 Re3 175.0(4) . . ?
N8 Ag4 N7 174.45(18) . . ?
C70 N7 Ag4 162.6(4) . . ?
N7 C70 Re1 172.7(4) . . ?
C80 N8 Ag4 151.5(4) . . ?
N8 C80 Re4 179.4(5) . . ?
C1C P1 C1A 101.6(2) . . ?
C1C P1 C1B 97.9(2) . . ?
C1A P1 C1B 105.2(2) . . ?
C1C P1 Re1 120.04(16) . . ?
C1A P1 Re1 115.64(14) . . ?
C1B P1 Re1 113.93(14) . . ?
C2A C1A C6A 118.7(4) . . ?
C2A C1A P1 119.5(3) . . ?
C6A C1A P1 121.7(3) . . ?
C3A C2A C1A 120.8(4) . . ?
C3A C2A H2A 119.6 . . ?
C1A C2A H2A 119.6 . . ?
C2A C3A C4A 120.4(5) . . ?
C2A C3A H3A 119.8 . . ?
C4A C3A H3A 119.8 . . ?
C5A C4A C3A 119.7(4) . . ?
C5A C4A H4A 120.2 . . ?
C3A C4A H4A 120.2 . . ?
C4A C5A C6A 120.6(5) . . ?
C4A C5A H5A 119.7 . . ?
C6A C5A H5A 119.7 . . ?
C5A C6A C1A 119.8(4) . . ?
C5A C6A H6A 120.1 . . ?
C1A C6A H6A 120.1 . . ?
C2B C1B C6B 118.7(4) . . ?
C2B C1B P1 117.3(3) . . ?
C6B C1B P1 124.0(3) . . ?
C1B C2B C3B 121.4(4) . . ?
C1B C2B H2B 119.3 . . ?
C3B C2B H2B 119.3 . . ?
C2B C3B C4B 119.5(5) . . ?
C2B C3B H3B 120.2 . . ?
C4B C3B H3B 120.2 . . ?
C5B C4B C3B 119.7(4) . . ?
C5B C4B H4B 120.2 . . ?
C3B C4B H4B 120.2 . . ?
C4B C5B C6B 120.1(5) . . ?
C4B C5B H5B 119.9 . . ?
C6B C5B H5B 119.9 . . ?
C1B C6B C5B 120.5(4) . . ?
C1B C6B H6B 119.8 . . ?
C5B C6B H6B 119.8 . . ?
C2C C1C C6C 118.8(4) . . ?
C2C C1C P1 122.4(4) . . ?
C6C C1C P1 118.8(4) . . ?
C3C C2C C1C 120.4(5) . . ?
C3C C2C H2C 119.8 . . ?
C1C C2C H2C 119.8 . . ?
C2C C3C C4C 120.7(5) . . ?
C2C C3C H3C 119.7 . . ?
C4C C3C H3C 119.7 . . ?
C3C C4C C5C 119.9(5) . . ?
C3C C4C H4C 120.0 . . ?
C5C C4C H4C 120.0 . . ?
C6C C5C C4C 119.4(5) . . ?
C6C C5C H5C 120.3 . . ?
C4C C5C H5C 120.3 . . ?
C5C C6C C1C 120.8(5) . . ?
C5C C6C H6C 119.6 . . ?
C1C C6C H6C 119.6 . . ?
C1D P2 C1F 106.4(2) . . ?
C1D P2 C1E 97.6(2) . . ?
C1F P2 C1E 102.7(2) . . ?
C1D P2 Re1 118.22(15) . . ?
C1F P2 Re1 111.71(15) . . ?
C1E P2 Re1 118.14(15) . . ?
C6D C1D C2D 118.4(4) . . ?
C6D C1D P2 120.9(4) . . ?
C2D C1D P2 119.4(4) . . ?
C3D C2D C1D 120.8(5) . . ?
C3D C2D H2D 119.6 . . ?
C1D C2D H2D 119.6 . . ?
C4D C3D C2D 119.2(5) . . ?
C4D C3D H3D 120.4 . . ?
C2D C3D H3D 120.4 . . ?
C5D C4D C3D 121.2(5) . . ?
C5D C4D H4D 119.4 . . ?
C3D C4D H4D 119.4 . . ?
C4D C5D C6D 119.7(4) . . ?
C4D C5D H5D 120.2 . . ?
C6D C5D H5D 120.2 . . ?
C1D C6D C5D 120.7(4) . . ?
C1D C6D H6D 119.7 . . ?
C5D C6D H6D 119.7 . . ?
C2E C1E C6E 118.7(4) . . ?
C2E C1E P2 118.2(3) . . ?
C6E C1E P2 123.0(4) . . ?
C3E C2E C1E 121.2(4) . . ?
C3E C2E H2E 119.4 . . ?
C1E C2E H2E 119.4 . . ?
C2E C3E C4E 120.4(5) . . ?
C2E C3E H3E 119.8 . . ?
C4E C3E H3E 119.8 . . ?
C5E C4E C3E 118.3(5) . . ?
C5E C4E H4E 120.8 . . ?
C3E C4E H4E 120.8 . . ?
C4E C5E C6E 121.6(5) . . ?
C4E C5E H5E 119.2 . . ?
C6E C5E H5E 119.2 . . ?
C5E C6E C1E 119.5(5) . . ?
C5E C6E H6E 120.3 . . ?
C1E C6E H6E 120.3 . . ?
C6F C1F C2F 118.4(4) . . ?
C6F C1F P2 122.4(4) . . ?
C2F C1F P2 118.7(3) . . ?
C3F C2F C1F 121.4(4) . . ?
C3F C2F H2F 119.3 . . ?
C1F C2F H2F 119.3 . . ?
C2F C3F C4F 119.6(5) . . ?
C2F C3F H3F 120.2 . . ?
C4F C3F H3F 120.2 . . ?
C3F C4F C5F 119.2(4) . . ?
C3F C4F H4F 120.4 . . ?
C5F C4F H4F 120.4 . . ?
C6F C5F C4F 120.2(5) . . ?
C6F C5F H5F 119.9 . . ?
C4F C5F H5F 119.9 . . ?
C5F C6F C1F 121.2(5) . . ?
C5F C6F H6F 119.4 . . ?
C1F C6F H6F 119.4 . . ?
C1H P3 C1G 99.8(2) . . ?
C1H P3 C1I 103.1(2) . . ?
C1G P3 C1I 104.3(2) . . ?
C1H P3 Re2 118.48(15) . . ?
C1G P3 Re2 118.39(15) . . ?
C1I P3 Re2 110.73(15) . . ?
C6G C1G C2G 117.7(4) . . ?
C6G C1G P3 122.8(4) . . ?
C2G C1G P3 119.3(4) . . ?
C3G C2G C1G 121.7(5) . . ?
C3G C2G H2G 119.1 . . ?
C1G C2G H2G 119.1 . . ?
C4G C3G C2G 119.6(5) . . ?
C4G C3G H3G 120.2 . . ?
C2G C3G H3G 120.2 . . ?
C3G C4G C5G 120.3(5) . . ?
C3G C4G H4G 119.8 . . ?
C5G C4G H4G 119.8 . . ?
C4G C5G C6G 119.9(5) . . ?
C4G C5G H5G 120.1 . . ?
C6G C5G H5G 120.1 . . ?
C1G C6G C5G 120.7(5) . . ?
C1G C6G H6G 119.6 . . ?
C5G C6G H6G 119.6 . . ?
C2H C1H C6H 119.2(4) . . ?
C2H C1H P3 120.9(4) . . ?
C6H C1H P3 119.7(4) . . ?
C1H C2H C3H 119.4(5) . . ?
C1H C2H H2H 120.3 . . ?
C3H C2H H2H 120.3 . . ?
C4H C3H C2H 121.5(5) . . ?
C4H C3H H3H 119.3 . . ?
C2H C3H H3H 119.3 . . ?
C3H C4H C5H 119.0(5) . . ?
C3H C4H H4H 120.5 . . ?
C5H C4H H4H 120.5 . . ?
C4H C5H C6H 120.5(5) . . ?
C4H C5H H5H 119.7 . . ?
C6H C5H H5H 119.7 . . ?
C5H C6H C1H 120.3(5) . . ?
C5H C6H H6H 119.8 . . ?
C1H C6H H6H 119.8 . . ?
C6I C1I C2I 119.6(5) . . ?
C6I C1I P3 119.2(4) . . ?
C2I C1I P3 120.5(4) . . ?
C3I C2I C1I 119.3(6) . . ?
C3I C2I H2I 120.3 . . ?
C1I C2I H2I 120.3 . . ?
C4I C3I C2I 121.5(7) . . ?
C4I C3I H3I 119.2 . . ?
C2I C3I H3I 119.2 . . ?
C3I C4I C5I 119.1(6) . . ?
C3I C4I H4I 120.5 . . ?
C5I C4I H4I 120.5 . . ?
C6I C5I C4I 120.5(7) . . ?
C6I C5I H5I 119.7 . . ?
C4I C5I H5I 119.7 . . ?
C5I C6I C1I 119.9(7) . . ?
C5I C6I H6I 120.1 . . ?
C1I C6I H6I 120.1 . . ?
C1L P4 C1J 101.6(2) . . ?
C1L P4 C1K 104.9(2) . . ?
C1J P4 C1K 101.6(2) . . ?
C1L P4 Re2 111.78(15) . . ?
C1J P4 Re2 119.53(15) . . ?
C1K P4 Re2 115.47(16) . . ?
C2J C1J C6J 118.4(4) . . ?
C2J C1J P4 121.3(3) . . ?
C6J C1J P4 120.3(4) . . ?
C3J C2J C1J 120.2(5) . . ?
C3J C2J H2J 119.9 . . ?
C1J C2J H2J 119.9 . . ?
C4J C3J C2J 121.2(5) . . ?
C4J C3J H3J 119.4 . . ?
C2J C3J H3J 119.4 . . ?
C3J C4J C5J 119.1(5) . . ?
C3J C4J H4J 120.4 . . ?
C5J C4J H4J 120.4 . . ?
C6J C5J C4J 120.5(5) . . ?
C6J C5J H5J 119.7 . . ?
C4J C5J H5J 119.7 . . ?
C5J C6J C1J 120.5(5) . . ?
C5J C6J H6J 119.8 . . ?
C1J C6J H6J 119.8 . . ?
C6K C1K C2K 116.9(5) . . ?
C6K C1K P4 124.3(4) . . ?
C2K C1K P4 118.8(4) . . ?
C1K C2K C3K 122.0(5) . . ?
C1K C2K H2K 119.0 . . ?
C3K C2K H2K 119.0 . . ?
C4K C3K C2K 120.0(6) . . ?
C4K C3K H3K 120.0 . . ?
C2K C3K H3K 120.0 . . ?
C5K C4K C3K 118.8(5) . . ?
C5K C4K H4K 120.6 . . ?
C3K C4K H4K 120.6 . . ?
C4K C5K C6K 122.4(6) . . ?
C4K C5K H5K 118.8 . . ?
C6K C5K H5K 118.8 . . ?
C1K C6K C5K 119.9(5) . . ?
C1K C6K H6K 120.0 . . ?
C5K C6K H6K 120.0 . . ?
C6L C1L C2L 118.0(4) . . ?
C6L C1L P4 122.2(4) . . ?
C2L C1L P4 119.4(4) . . ?
C3L C2L C1L 120.6(5) . . ?
C3L C2L H2L 119.7 . . ?
C1L C2L H2L 119.7 . . ?
C2L C3L C4L 120.8(5) . . ?
C2L C3L H3L 119.6 . . ?
C4L C3L H3L 119.6 . . ?
C3L C4L C5L 119.9(5) . . ?
C3L C4L H4L 120.1 . . ?
C5L C4L H4L 120.1 . . ?
C4L C5L C6L 119.8(5) . . ?
C4L C5L H5L 120.1 . . ?
C6L C5L H5L 120.1 . . ?
C5L C6L C1L 120.9(4) . . ?
C5L C6L H6L 119.5 . . ?
C1L C6L H6L 119.5 . . ?
C1N P5 C1M 100.0(2) . . ?
C1N P5 C1O 103.2(2) . . ?
C1M P5 C1O 103.3(2) . . ?
C1N P5 Re3 118.38(15) . . ?
C1M P5 Re3 117.91(15) . . ?
C1O P5 Re3 111.92(15) . . ?
C6M C1M C2M 118.1(4) . . ?
C6M C1M P5 120.0(3) . . ?
C2M C1M P5 121.9(3) . . ?
C3M C2M C1M 120.5(4) . . ?
C3M C2M H2M 119.8 . . ?
C1M C2M H2M 119.8 . . ?
C4M C3M C2M 120.5(5) . . ?
C4M C3M H3M 119.7 . . ?
C2M C3M H3M 119.7 . . ?
C3M C4M C5M 120.5(4) . . ?
C3M C4M H4M 119.8 . . ?
C5M C4M H4M 119.8 . . ?
C4M C5M C6M 119.0(5) . . ?
C4M C5M H5M 120.5 . . ?
C6M C5M H5M 120.5 . . ?
C1M C6M C5M 121.4(5) . . ?
C1M C6M H6M 119.3 . . ?
C5M C6M H6M 119.3 . . ?
C6N C1N C2N 118.2(4) . . ?
C6N C1N P5 122.5(4) . . ?
C2N C1N P5 119.2(4) . . ?
C3N C2N C1N 121.1(5) . . ?
C3N C2N H2N 119.5 . . ?
C1N C2N H2N 119.5 . . ?
C4N C3N C2N 119.7(5) . . ?
C4N C3N H3N 120.2 . . ?
C2N C3N H3N 120.2 . . ?
C3N C4N C5N 120.4(5) . . ?
C3N C4N H4N 119.8 . . ?
C5N C4N H4N 119.8 . . ?
C4N C5N C6N 120.0(5) . . ?
C4N C5N H5N 120.0 . . ?
C6N C5N H5N 120.0 . . ?
C5N C6N C1N 120.6(5) . . ?
C5N C6N H6N 119.7 . . ?
C1N C6N H6N 119.7 . . ?
C2O C1O C6O 119.5(4) . . ?
C2O C1O P5 120.3(4) . . ?
C6O C1O P5 119.5(4) . . ?
C1O C2O C3O 120.4(5) . . ?
C1O C2O H2O 119.8 . . ?
C3O C2O H2O 119.8 . . ?
C4O C3O C2O 120.2(5) . . ?
C4O C3O H3O 119.9 . . ?
C2O C3O H3O 119.9 . . ?
C3O C4O C5O 119.3(5) . . ?
C3O C4O H4O 120.3 . . ?
C5O C4O H4O 120.3 . . ?
C4O C5O C6O 121.2(5) . . ?
C4O C5O H5O 119.4 . . ?
C6O C5O H5O 119.4 . . ?
C5O C6O C1O 119.4(5) . . ?
C5O C6O H6O 120.3 . . ?
C1O C6O H6O 120.3 . . ?
C1P P6 C1R 103.0(2) . . ?
C1P P6 C1Q 104.4(2) . . ?
C1R P6 C1Q 98.6(2) . . ?
C1P P6 Re3 113.69(16) . . ?
C1R P6 Re3 119.33(16) . . ?
C1Q P6 Re3 115.54(15) . . ?
C2P C1P C6P 118.4(4) . . ?
C2P C1P P6 119.2(4) . . ?
C6P C1P P6 122.2(4) . . ?
C3P C2P C1P 121.0(5) . . ?
C3P C2P H2P 119.5 . . ?
C1P C2P H2P 119.5 . . ?
C2P C3P C4P 120.5(5) . . ?
C2P C3P H3P 119.8 . . ?
C4P C3P H3P 119.8 . . ?
C5P C4P C3P 118.8(5) . . ?
C5P C4P H4P 120.6 . . ?
C3P C4P H4P 120.6 . . ?
C4P C5P C6P 121.7(5) . . ?
C4P C5P H5P 119.1 . . ?
C6P C5P H5P 119.1 . . ?
C5P C6P C1P 119.5(5) . . ?
C5P C6P H6P 120.2 . . ?
C1P C6P H6P 120.2 . . ?
C2Q C1Q C6Q 119.5(4) . . ?
C2Q C1Q P6 124.3(4) . . ?
C6Q C1Q P6 116.1(3) . . ?
C1Q C2Q C3Q 120.3(5) . . ?
C1Q C2Q H2Q 119.8 . . ?
C3Q C2Q H2Q 119.8 . . ?
C4Q C3Q C2Q 120.2(5) . . ?
C4Q C3Q H3Q 119.9 . . ?
C2Q C3Q H3Q 119.9 . . ?
C3Q C4Q C5Q 120.1(5) . . ?
C3Q C4Q H4Q 120.0 . . ?
C5Q C4Q H4Q 120.0 . . ?
C4Q C5Q C6Q 119.8(5) . . ?
C4Q C5Q H5Q 120.1 . . ?
C6Q C5Q H5Q 120.1 . . ?
C5Q C6Q C1Q 120.1(4) . . ?
C5Q C6Q H6Q 120.0 . . ?
C1Q C6Q H6Q 120.0 . . ?
C2R C1R C6R 118.0(4) . . ?
C2R C1R P6 123.5(4) . . ?
C6R C1R P6 118.5(4) . . ?
C3R C2R C1R 120.8(5) . . ?
C3R C2R H2R 119.6 . . ?
C1R C2R H2R 119.6 . . ?
C2R C3R C4R 120.5(5) . . ?
C2R C3R H3R 119.8 . . ?
C4R C3R H3R 119.8 . . ?
C5R C4R C3R 119.3(5) . . ?
C5R C4R H4R 120.4 . . ?
C3R C4R H4R 120.4 . . ?
C6R C5R C4R 120.2(5) . . ?
C6R C5R H5R 119.9 . . ?
C4R C5R H5R 119.9 . . ?
C5R C6R C1R 121.2(5) . . ?
C5R C6R H6R 119.4 . . ?
C1R C6R H6R 119.4 . . ?
C1T P7 C1U 98.4(2) . . ?
C1T P7 C1S 103.2(2) . . ?
C1U P7 C1S 103.0(2) . . ?
C1T P7 Re4 118.56(15) . . ?
C1U P7 Re4 118.42(15) . . ?
C1S P7 Re4 112.76(15) . . ?
C6S C1S C2S 119.0(4) . . ?
C6S C1S P7 121.2(4) . . ?
C2S C1S P7 119.7(4) . . ?
C1S C2S C3S 120.3(5) . . ?
C1S C2S H2S 119.8 . . ?
C3S C2S H2S 119.8 . . ?
C4S C3S C2S 120.4(5) . . ?
C4S C3S H3S 119.8 . . ?
C2S C3S H3S 119.8 . . ?
C3S C4S C5S 119.7(5) . . ?
C3S C4S H4S 120.1 . . ?
C5S C4S H4S 120.1 . . ?
C4S C5S C6S 119.5(5) . . ?
C4S C5S H5S 120.3 . . ?
C6S C5S H5S 120.3 . . ?
C1S C6S C5S 121.1(5) . . ?
C1S C6S H6S 119.5 . . ?
C5S C6S H6S 119.5 . . ?
C2T C1T C6T 118.2(4) . . ?
C2T C1T P7 120.2(3) . . ?
C6T C1T P7 121.3(3) . . ?
C3T C2T C1T 120.3(4) . . ?
C3T C2T H2T 119.8 . . ?
C1T C2T H2T 119.8 . . ?
C4T C3T C2T 120.5(4) . . ?
C4T C3T H3T 119.8 . . ?
C2T C3T H3T 119.8 . . ?
C3T C4T C5T 119.9(4) . . ?
C3T C4T H4T 120.0 . . ?
C5T C4T H4T 120.0 . . ?
C6T C5T C4T 120.1(4) . . ?
C6T C5T H5T 119.9 . . ?
C4T C5T H5T 119.9 . . ?
C5T C6T C1T 120.9(4) . . ?
C5T C6T H6T 119.6 . . ?
C1T C6T H6T 119.6 . . ?
C2U C1U C6U 117.3(4) . . ?
C2U C1U P7 122.1(4) . . ?
C6U C1U P7 120.1(4) . . ?
C1U C2U C3U 121.7(5) . . ?
C1U C2U H2U 119.2 . . ?
C3U C2U H2U 119.2 . . ?
C4U C3U C2U 119.9(5) . . ?
C4U C3U H3U 120.1 . . ?
C2U C3U H3U 120.1 . . ?
C3U C4U C5U 119.2(5) . . ?
C3U C4U H4U 120.4 . . ?
C5U C4U H4U 120.4 . . ?
C6U C5U C4U 121.1(5) . . ?
C6U C5U H5U 119.4 . . ?
C4U C5U H5U 119.4 . . ?
C5U C6U C1U 120.8(5) . . ?
C5U C6U H6U 119.6 . . ?
C1U C6U H6U 119.6 . . ?
C1Z P8 C1V 103.3(2) . . ?
C1Z P8 C1W 97.7(2) . . ?
C1V P8 C1W 103.2(2) . . ?
C1Z P8 Re4 118.23(16) . . ?
C1V P8 Re4 112.62(15) . . ?
C1W P8 Re4 119.35(15) . . ?
C2V C1V C6V 119.1(4) . . ?
C2V C1V P8 121.8(4) . . ?
C6V C1V P8 118.9(4) . . ?
C1V C2V C3V 120.2(5) . . ?
C1V C2V H2V 119.9 . . ?
C3V C2V H2V 119.9 . . ?
C4V C3V C2V 120.5(5) . . ?
C4V C3V H3V 119.8 . . ?
C2V C3V H3V 119.8 . . ?
C5V C4V C3V 119.3(5) . . ?
C5V C4V H4V 120.4 . . ?
C3V C4V H4V 120.4 . . ?
C4V C5V C6V 120.7(5) . . ?
C4V C5V H5V 119.6 . . ?
C6V C5V H5V 119.6 . . ?
C5V C6V C1V 120.2(5) . . ?
C5V C6V H6V 119.9 . . ?
C1V C6V H6V 119.9 . . ?
C2W C1W C6W 118.4(4) . . ?
C2W C1W P8 124.8(4) . . ?
C6W C1W P8 116.6(3) . . ?
C1W C2W C3W 120.7(5) . . ?
C1W C2W H2W 119.6 . . ?
C3W C2W H2W 119.6 . . ?
C4W C3W C2W 119.9(5) . . ?
C4W C3W H3W 120.1 . . ?
C2W C3W H3W 120.1 . . ?
C3W C4W C5W 119.4(5) . . ?
C3W C4W H4W 120.3 . . ?
C5W C4W H4W 120.3 . . ?
C6W C5W C4W 120.7(5) . . ?
C6W C5W H5W 119.6 . . ?
C4W C5W H5W 119.6 . . ?
C5W C6W C1W 120.8(5) . . ?
C5W C6W H6W 119.6 . . ?
C1W C6W H6W 119.6 . . ?
C6Z C1Z C2Z 118.7(4) . . ?
C6Z C1Z P8 122.6(4) . . ?
C2Z C1Z P8 118.6(4) . . ?
C3Z C2Z C1Z 120.4(5) . . ?
C3Z C2Z H2Z 119.8 . . ?
C1Z C2Z H2Z 119.8 . . ?
C4Z C3Z C2Z 120.3(5) . . ?
C4Z C3Z H3Z 119.8 . . ?
C2Z C3Z H3Z 119.8 . . ?
C5Z C4Z C3Z 120.2(5) . . ?
C5Z C4Z H4Z 119.9 . . ?
C3Z C4Z H4Z 119.9 . . ?
C4Z C5Z C6Z 119.5(5) . . ?
C4Z C5Z H5Z 120.2 . . ?
C6Z C5Z H5Z 120.2 . . ?
C1Z C6Z C5Z 120.9(5) . . ?
C1Z C6Z H6Z 119.6 . . ?
C5Z C6Z H6Z 119.6 . . ?
C11 O11 H11 109.1 . . ?
O11 C11 C21 108.1(9) . . ?
O11 C11 H11A 110.1 . . ?
C21 C11 H11A 110.1 . . ?
O11 C11 H11B 110.1 . . ?
C21 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
C11 C21 H21A 109.5 . . ?
C11 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C11 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C12 O12 H12 109.5 . . ?
C22 C12 O12 113.6(8) . . ?
C22 C12 H12A 108.8 . . ?
O12 C12 H12A 108.8 . . ?
C22 C12 H12B 108.8 . . ?
O12 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C12 C22 H22A 109.5 . . ?
C12 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C12 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C13 O13 H13 108.5 . . ?
C23 C13 O13 115.2(9) . . ?
C23 C13 H13A 108.5 . . ?
O13 C13 H13A 108.5 . . ?
C23 C13 H13B 108.5 . . ?
O13 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C13 C23 H23A 109.5 . . ?
C13 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C13 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C14 O14 H14 108.5 . . ?
C24 C14 O14 117.9(9) . . ?
C24 C14 H14A 107.8 . . ?
O14 C14 H14A 107.8 . . ?
C24 C14 H14B 107.8 . . ?
O14 C14 H14B 107.8 . . ?
H14A C14 H14B 107.2 . . ?
C14 C24 H24A 109.5 . . ?
C14 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C14 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C15 O15 H15 109.5 . . ?
C25 C15 O15 116.0(14) . . ?
C25 C15 H15A 108.3 . . ?
O15 C15 H15A 108.3 . . ?
C25 C15 H15B 108.3 . . ?
O15 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C15 C25 H25A 95.7 . . ?
C15 C25 H25B 116.5 . . ?
H25A C25 H25B 109.5 . . ?
C15 C25 H25C 115.2 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C16 O16 H16 109.5 . . ?
C26 C16 O16 115.3(10) . . ?
C26 C16 H16A 108.4 . . ?
O16 C16 H16A 108.4 . . ?
C26 C16 H16B 108.4 . . ?
O16 C16 H16B 108.4 . . ?
H16A C16 H16B 107.5 . . ?
C16 C26 H26A 109.5 . . ?
C16 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C16 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C17 O17 H17 109.5 . . ?
C27 C17 O17 118.3(14) . . ?
C27 C17 H15C 107.7 . . ?
O17 C17 H15C 107.7 . . ?
C27 C17 H15D 107.7 . . ?
O17 C17 H15D 107.7 . . ?
H15C C17 H15D 107.1 . . ?
C17 C27 H35A 109.5 . . ?
C17 C27 H35B 109.5 . . ?
H35A C27 H35B 109.5 . . ?
C17 C27 H35C 109.5 . . ?
H35A C27 H35C 109.5 . . ?
H35B C27 H35C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1C P1 C1A C2A -173.0(3) . . . . ?
C1B P1 C1A C2A -71.3(4) . . . . ?
C1C P1 C1A C6A 11.2(4) . . . . ?
C1B P1 C1A C6A 112.9(4) . . . . ?
C6A C1A C2A C3A -1.0(6) . . . . ?
P1 C1A C2A C3A -176.9(3) . . . . ?
C1A C2A C3A C4A 1.0(7) . . . . ?
C2A C3A C4A C5A -0.3(7) . . . . ?
C3A C4A C5A C6A -0.3(7) . . . . ?
C4A C5A C6A C1A 0.3(7) . . . . ?
C2A C1A C6A C5A 0.3(7) . . . . ?
P1 C1A C6A C5A 176.2(4) . . . . ?
C1C P1 C1B C2B -51.5(4) . . . . ?
C1A P1 C1B C2B -155.9(3) . . . . ?
Re1 P1 C1B C2B 76.4(4) . . . . ?
C1C P1 C1B C6B 126.8(4) . . . . ?
C1A P1 C1B C6B 22.4(4) . . . . ?
Re1 P1 C1B C6B -105.3(4) . . . . ?
C6B C1B C2B C3B -3.5(7) . . . . ?
P1 C1B C2B C3B 174.9(4) . . . . ?
C1B C2B C3B C4B 2.7(7) . . . . ?
C2B C3B C4B C5B -0.1(7) . . . . ?
C3B C4B C5B C6B -1.6(7) . . . . ?
C2B C1B C6B C5B 1.8(7) . . . . ?
P1 C1B C6B C5B -176.5(4) . . . . ?
C4B C5B C6B C1B 0.7(7) . . . . ?
C1A P1 C1C C2C -112.2(4) . . . . ?
C1B P1 C1C C2C 140.5(4) . . . . ?
C1A P1 C1C C6C 66.4(4) . . . . ?
C1B P1 C1C C6C -40.9(4) . . . . ?
C6C C1C C2C C3C -0.5(7) . . . . ?
P1 C1C C2C C3C 178.1(4) . . . . ?
C1C C2C C3C C4C 0.0(8) . . . . ?
C2C C3C C4C C5C 0.3(8) . . . . ?
C3C C4C C5C C6C -0.2(8) . . . . ?
C4C C5C C6C C1C -0.3(8) . . . . ?
C2C C1C C6C C5C 0.6(7) . . . . ?
P1 C1C C6C C5C -178.0(4) . . . . ?
C1F P2 C1D C6D -40.4(4) . . . . ?
C1E P2 C1D C6D 65.3(4) . . . . ?
C1F P2 C1D C2D 152.7(4) . . . . ?
C1E P2 C1D C2D -101.5(4) . . . . ?
C6D C1D C2D C3D -1.0(7) . . . . ?
P2 C1D C2D C3D 166.2(4) . . . . ?
C1D C2D C3D C4D 2.4(7) . . . . ?
C2D C3D C4D C5D -1.1(7) . . . . ?
C3D C4D C5D C6D -1.5(7) . . . . ?
C2D C1D C6D C5D -1.7(7) . . . . ?
P2 C1D C6D C5D -168.6(4) . . . . ?
C4D C5D C6D C1D 2.9(7) . . . . ?
C1D P2 C1E C2E 83.1(4) . . . . ?
C1F P2 C1E C2E -168.0(4) . . . . ?
C1D P2 C1E C6E -94.2(4) . . . . ?
C1F P2 C1E C6E 14.6(5) . . . . ?
C6E C1E C2E C3E -3.3(7) . . . . ?
P2 C1E C2E C3E 179.2(4) . . . . ?
C1E C2E C3E C4E 0.5(7) . . . . ?
C2E C3E C4E C5E 3.3(8) . . . . ?
C3E C4E C5E C6E -4.4(8) . . . . ?
C4E C5E C6E C1E 1.6(9) . . . . ?
C2E C1E C6E C5E 2.3(7) . . . . ?
P2 C1E C6E C5E 179.6(4) . . . . ?
C1D P2 C1F C6F -36.3(4) . . . . ?
C1E P2 C1F C6F -138.3(4) . . . . ?
C1D P2 C1F C2F 151.9(4) . . . . ?
C1E P2 C1F C2F 49.9(4) . . . . ?
Re1 P2 C1F C2F -77.7(4) . . . . ?
C6F C1F C2F C3F 1.2(7) . . . . ?
P2 C1F C2F C3F 173.3(4) . . . . ?
C1F C2F C3F C4F -0.6(7) . . . . ?
C2F C3F C4F C5F -0.8(7) . . . . ?
C3F C4F C5F C6F 1.6(8) . . . . ?
C4F C5F C6F C1F -1.1(8) . . . . ?
C2F C1F C6F C5F -0.3(7) . . . . ?
P2 C1F C6F C5F -172.1(4) . . . . ?
C1H P3 C1G C6G -78.4(4) . . . . ?
C1I P3 C1G C6G 28.0(4) . . . . ?
C1H P3 C1G C2G 95.6(4) . . . . ?
C1I P3 C1G C2G -158.0(4) . . . . ?
C6G C1G C2G C3G 0.2(7) . . . . ?
P3 C1G C2G C3G -174.1(4) . . . . ?
C1G C2G C3G C4G 0.2(7) . . . . ?
C2G C3G C4G C5G -0.8(7) . . . . ?
C3G C4G C5G C6G 1.1(8) . . . . ?
C2G C1G C6G C5G 0.1(7) . . . . ?
P3 C1G C6G C5G 174.2(4) . . . . ?
C4G C5G C6G C1G -0.8(7) . . . . ?
C1G P3 C1H C2H -111.8(4) . . . . ?
C1I P3 C1H C2H 140.9(4) . . . . ?
Re2 P3 C1H C2H 18.2(4) . . . . ?
C1G P3 C1H C6H 64.6(4) . . . . ?
C1I P3 C1H C6H -42.7(4) . . . . ?
Re2 P3 C1H C6H -165.4(3) . . . . ?
C6H C1H C2H C3H -0.3(7) . . . . ?
P3 C1H C2H C3H 176.1(4) . . . . ?
C1H C2H C3H C4H -1.1(8) . . . . ?
C2H C3H C4H C5H 1.5(8) . . . . ?
C3H C4H C5H C6H -0.5(9) . . . . ?
C4H C5H C6H C1H -1.0(9) . . . . ?
C2H C1H C6H C5H 1.4(8) . . . . ?
P3 C1H C6H C5H -175.1(4) . . . . ?
C1H P3 C1I C6I -42.9(4) . . . . ?
C1G P3 C1I C6I -146.8(4) . . . . ?
Re2 P3 C1I C6I 84.8(4) . . . . ?
C1H P3 C1I C2I 146.4(4) . . . . ?
C1G P3 C1I C2I 42.5(4) . . . . ?
C6I C1I C2I C3I 0.9(8) . . . . ?
P3 C1I C2I C3I 171.5(4) . . . . ?
C1I C2I C3I C4I -0.8(9) . . . . ?
C2I C3I C4I C5I -0.4(10) . . . . ?
C3I C4I C5I C6I 1.5(10) . . . . ?
C4I C5I C6I C1I -1.3(9) . . . . ?
C2I C1I C6I C5I 0.1(8) . . . . ?
P3 C1I C6I C5I -170.6(4) . . . . ?
C1L P4 C1J C2J -140.2(4) . . . . ?
C1K P4 C1J C2J 111.7(4) . . . . ?
C1L P4 C1J C6J 41.0(4) . . . . ?
C1K P4 C1J C6J -67.1(4) . . . . ?
C6J C1J C2J C3J -2.2(7) . . . . ?
P4 C1J C2J C3J 179.0(3) . . . . ?
C1J C2J C3J C4J -0.4(7) . . . . ?
C2J C3J C4J C5J 2.5(7) . . . . ?
C3J C4J C5J C6J -1.9(8) . . . . ?
C4J C5J C6J C1J -0.7(8) . . . . ?
C2J C1J C6J C5J 2.7(8) . . . . ?
P4 C1J C6J C5J -178.5(4) . . . . ?
C1L P4 C1K C6K -19.7(5) . . . . ?
C1J P4 C1K C6K 85.8(5) . . . . ?
C1L P4 C1K C2K 160.4(4) . . . . ?
C1J P4 C1K C2K -94.0(4) . . . . ?
Re2 P4 C1K C2K 36.9(4) . . . . ?
C6K C1K C2K C3K -0.3(8) . . . . ?
P4 C1K C2K C3K 179.5(4) . . . . ?
C1K C2K C3K C4K 1.6(9) . . . . ?
C2K C3K C4K C5K -1.3(9) . . . . ?
C3K C4K C5K C6K -0.3(10) . . . . ?
C2K C1K C6K C5K -1.3(8) . . . . ?
P4 C1K C6K C5K 178.9(4) . . . . ?
C4K C5K C6K C1K 1.6(10) . . . . ?
C1J P4 C1L C6L -148.5(4) . . . . ?
C1K P4 C1L C6L -42.9(4) . . . . ?
Re2 P4 C1L C6L 82.9(4) . . . . ?
C1J P4 C1L C2L 38.8(4) . . . . ?
C1K P4 C1L C2L 144.4(4) . . . . ?
Re2 P4 C1L C2L -89.8(4) . . . . ?
C6L C1L C2L C3L 0.8(7) . . . . ?
P4 C1L C2L C3L 173.8(4) . . . . ?
C1L C2L C3L C4L 1.3(8) . . . . ?
C2L C3L C4L C5L -2.4(8) . . . . ?
C3L C4L C5L C6L 1.4(7) . . . . ?
C4L C5L C6L C1L 0.7(7) . . . . ?
C2L C1L C6L C5L -1.7(7) . . . . ?
P4 C1L C6L C5L -174.5(4) . . . . ?
C1N P5 C1M C6M -65.3(4) . . . . ?
C1O P5 C1M C6M 40.9(4) . . . . ?
Re3 P5 C1M C6M 164.9(3) . . . . ?
C1N P5 C1M C2M 111.8(4) . . . . ?
C1O P5 C1M C2M -142.0(4) . . . . ?
Re3 P5 C1M C2M -18.0(4) . . . . ?
C6M C1M C2M C3M 0.8(7) . . . . ?
P5 C1M C2M C3M -176.4(4) . . . . ?
C1M C2M C3M C4M -0.2(7) . . . . ?
C2M C3M C4M C5M -0.1(8) . . . . ?
C3M C4M C5M C6M -0.2(8) . . . . ?
C2M C1M C6M C5M -1.1(7) . . . . ?
P5 C1M C6M C5M 176.1(4) . . . . ?
C4M C5M C6M C1M 0.9(8) . . . . ?
C1M P5 C1N C6N 75.7(4) . . . . ?
C1O P5 C1N C6N -30.7(4) . . . . ?
Re3 P5 C1N C6N -154.9(3) . . . . ?
C1M P5 C1N C2N -99.3(4) . . . . ?
C1O P5 C1N C2N 154.4(4) . . . . ?
Re3 P5 C1N C2N 30.1(4) . . . . ?
C6N C1N C2N C3N 3.0(7) . . . . ?
P5 C1N C2N C3N 178.2(4) . . . . ?
C1N C2N C3N C4N -1.2(8) . . . . ?
C2N C3N C4N C5N -0.8(8) . . . . ?
C3N C4N C5N C6N 1.0(8) . . . . ?
C4N C5N C6N C1N 0.9(8) . . . . ?
C2N C1N C6N C5N -2.8(7) . . . . ?
P5 C1N C6N C5N -177.8(4) . . . . ?
C1N P5 C1O C2O 145.6(4) . . . . ?
C1M P5 C1O C2O 41.7(4) . . . . ?
C1N P5 C1O C6O -43.6(4) . . . . ?
C1M P5 C1O C6O -147.4(4) . . . . ?
C6O C1O C2O C3O 1.0(7) . . . . ?
P5 C1O C2O C3O 171.9(4) . . . . ?
C1O C2O C3O C4O 0.2(9) . . . . ?
C2O C3O C4O C5O -0.8(9) . . . . ?
C3O C4O C5O C6O 0.3(9) . . . . ?
C4O C5O C6O C1O 0.8(8) . . . . ?
C2O C1O C6O C5O -1.5(7) . . . . ?
P5 C1O C6O C5O -172.4(4) . . . . ?
C1R P6 C1P C2P 170.6(4) . . . . ?
C1Q P6 C1P C2P 68.0(4) . . . . ?
C1R P6 C1P C6P -14.3(4) . . . . ?
C1Q P6 C1P C6P -116.9(4) . . . . ?
C6P C1P C2P C3P 0.1(7) . . . . ?
P6 C1P C2P C3P 175.3(4) . . . . ?
C1P C2P C3P C4P -0.1(7) . . . . ?
C2P C3P C4P C5P -0.1(7) . . . . ?
C3P C4P C5P C6P 0.3(8) . . . . ?
C4P C5P C6P C1P -0.3(8) . . . . ?
C2P C1P C6P C5P 0.1(7) . . . . ?
P6 C1P C6P C5P -174.9(4) . . . . ?
C1P P6 C1Q C2Q -5.1(5) . . . . ?
C1R P6 C1Q C2Q -111.0(4) . . . . ?
C1P P6 C1Q C6Q 172.0(3) . . . . ?
C1R P6 C1Q C6Q 66.1(4) . . . . ?
C6Q C1Q C2Q C3Q -1.1(7) . . . . ?
P6 C1Q C2Q C3Q 175.9(4) . . . . ?
C1Q C2Q C3Q C4Q -1.1(8) . . . . ?
C2Q C3Q C4Q C5Q 1.9(8) . . . . ?
C3Q C4Q C5Q C6Q -0.4(7) . . . . ?
C4Q C5Q C6Q C1Q -1.8(7) . . . . ?
C2Q C1Q C6Q C5Q 2.6(7) . . . . ?
P6 C1Q C6Q C5Q -174.7(4) . . . . ?
C1P P6 C1R C2R 116.5(4) . . . . ?
C1Q P6 C1R C2R -136.4(4) . . . . ?
C1P P6 C1R C6R -65.4(4) . . . . ?
C1Q P6 C1R C6R 41.7(4) . . . . ?
C6R C1R C2R C3R 0.4(7) . . . . ?
P6 C1R C2R C3R 178.5(4) . . . . ?
C1R C2R C3R C4R -0.8(7) . . . . ?
C2R C3R C4R C5R 1.7(8) . . . . ?
C3R C4R C5R C6R -2.0(9) . . . . ?
C4R C5R C6R C1R 1.5(9) . . . . ?
C2R C1R C6R C5R -0.7(8) . . . . ?
P6 C1R C6R C5R -178.9(4) . . . . ?
C1T P7 C1S C6S 39.5(4) . . . . ?
C1U P7 C1S C6S 141.6(4) . . . . ?
C1T P7 C1S C2S -144.6(4) . . . . ?
C1U P7 C1S C2S -42.5(4) . . . . ?
C6S C1S C2S C3S -1.8(7) . . . . ?
P7 C1S C2S C3S -177.7(4) . . . . ?
C1S C2S C3S C4S 0.0(8) . . . . ?
C2S C3S C4S C5S 1.3(8) . . . . ?
C3S C4S C5S C6S -0.7(8) . . . . ?
C2S C1S C6S C5S 2.3(7) . . . . ?
P7 C1S C6S C5S 178.2(4) . . . . ?
C4S C5S C6S C1S -1.1(7) . . . . ?
C1U P7 C1T C2T 101.2(4) . . . . ?
C1S P7 C1T C2T -153.2(4) . . . . ?
C1U P7 C1T C6T -72.4(4) . . . . ?
C1S P7 C1T C6T 33.2(4) . . . . ?
C6T C1T C2T C3T -0.7(7) . . . . ?
P7 C1T C2T C3T -174.5(4) . . . . ?
C1T C2T C3T C4T -0.1(7) . . . . ?
C2T C3T C4T C5T 0.1(7) . . . . ?
C3T C4T C5T C6T 0.8(8) . . . . ?
C4T C5T C6T C1T -1.7(7) . . . . ?
C2T C1T C6T C5T 1.6(7) . . . . ?
P7 C1T C6T C5T 175.4(4) . . . . ?
C1T P7 C1U C2U 73.8(4) . . . . ?
C1S P7 C1U C2U -32.0(5) . . . . ?
C1T P7 C1U C6U -98.2(4) . . . . ?
C1S P7 C1U C6U 156.0(4) . . . . ?
C6U C1U C2U C3U -0.8(8) . . . . ?
P7 C1U C2U C3U -173.0(4) . . . . ?
C1U C2U C3U C4U 1.7(8) . . . . ?
C2U C3U C4U C5U -0.9(9) . . . . ?
C3U C4U C5U C6U -0.8(9) . . . . ?
C4U C5U C6U C1U 1.7(9) . . . . ?
C2U C1U C6U C5U -0.8(8) . . . . ?
P7 C1U C6U C5U 171.5(5) . . . . ?
C1Z P8 C1V C2V 26.7(4) . . . . ?
C1W P8 C1V C2V 128.0(4) . . . . ?
C1Z P8 C1V C6V -158.5(4) . . . . ?
C1W P8 C1V C6V -57.2(4) . . . . ?
Re4 P8 C1V C6V 72.8(4) . . . . ?
C6V C1V C2V C3V 1.2(7) . . . . ?
P8 C1V C2V C3V 176.0(4) . . . . ?
C1V C2V C3V C4V 1.4(7) . . . . ?
C2V C3V C4V C5V -3.2(7) . . . . ?
C3V C4V C5V C6V 2.4(8) . . . . ?
C4V C5V C6V C1V 0.2(8) . . . . ?
C2V C1V C6V C5V -2.0(7) . . . . ?
P8 C1V C6V C5V -176.9(4) . . . . ?
C1Z P8 C1W C2W 100.5(4) . . . . ?
C1V P8 C1W C2W -5.2(5) . . . . ?
C1Z P8 C1W C6W -73.1(4) . . . . ?
C1V P8 C1W C6W -178.7(4) . . . . ?
Re4 P8 C1W C6W 55.5(4) . . . . ?
C6W C1W C2W C3W -0.6(7) . . . . ?
P8 C1W C2W C3W -174.0(4) . . . . ?
C1W C2W C3W C4W 2.2(7) . . . . ?
C2W C3W C4W C5W -1.5(7) . . . . ?
C3W C4W C5W C6W -0.8(7) . . . . ?
C4W C5W C6W C1W 2.6(7) . . . . ?
C2W C1W C6W C5W -1.8(7) . . . . ?
P8 C1W C6W C5W 172.2(4) . . . . ?
C1V P8 C1Z C6Z -135.0(4) . . . . ?
C1W P8 C1Z C6Z 119.5(4) . . . . ?
C1V P8 C1Z C2Z 49.7(4) . . . . ?
C1W P8 C1Z C2Z -55.8(4) . . . . ?
C6Z C1Z C2Z C3Z 2.3(7) . . . . ?
P8 C1Z C2Z C3Z 177.7(4) . . . . ?
C1Z C2Z C3Z C4Z -0.7(8) . . . . ?
C2Z C3Z C4Z C5Z -0.5(8) . . . . ?
C3Z C4Z C5Z C6Z 0.0(8) . . . . ?
C2Z C1Z C6Z C5Z -2.7(7) . . . . ?
P8 C1Z C6Z C5Z -178.0(4) . . . . ?
C4Z C5Z C6Z C1Z 1.7(8) . . . . ?

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
C6B H6B O8 0.95 2.54 3.272(6) 133.5 1_565
O11 H11 O13 0.84 2.05 2.697(12) 133.9 .
O12 H12 O11 0.84 2.03 2.782(12) 148.7 .
O13 H13 O14 0.85 1.81 2.663(13) 177.5 1_455
C13 H13B O15 0.99 2.39 3.03(2) 121.9 1_455
C25 H25B N7 0.98 2.52 3.47(3) 163.7 .
C27 H35A O12 0.98 2.19 3.16(2) 170.5 .

_refine_diff_density_max         1.97
_refine_diff_density_min         -1.22
_refine_diff_density_rms         0.163

