# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1964477'
loop_
_audit_author_name
_audit_author_address
'lilong dang'
;fudan university
China
;
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C172 H168 Ca F21 N24 O30 Rh6 S7'
_chemical_formula_weight         4332.25

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 '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'
Ca Ca 0.3953 1.0257 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0162 2.8654 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'

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

_cell_length_a                   23.302(5)
_cell_length_b                   23.302(5)
_cell_length_c                   21.347(4)
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                120.00(3)
_cell_volume                     10039(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_F_000             4398
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    3.684
_shelx_estimated_absorpt_T_min   0.526
_shelx_estimated_absorpt_T_max   0.710
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            96191
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.300
_diffrn_reflns_theta_max         56.992
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             13702
_reflns_number_gt                13072
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.946
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1130P)²+8.6199P] 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     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.00051(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.273(15)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         13702
_refine_ls_number_parameters     761
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1621
_refine_ls_wR_factor_gt          0.1565
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.012
_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
Rh1 Rh 0.64341(2) 1.05603(2) 0.45181(3) 0.04473(17) Uani 1 1 d . . . . .
Rh2 Rh 0.74120(3) 0.94261(3) 0.62120(3) 0.04718(18) Uani 1 1 d . . . . .
Ca1 Ca 0.333333 0.666667 0.30768(16) 0.0506(6) Uani 1 3 d S T P . .
S1 S 0.3051(3) 0.5240(3) 0.2059(3) 0.1133(14) Uani 1 1 d . U . . .
S2 S 0.333333 0.666667 0.7467(2) 0.0572(8) Uani 1 3 d S T P . .
N1 N 0.6869(3) 0.9923(3) 0.4521(4) 0.0450(13) Uani 1 1 d . . . . .
N2 N 0.6342(3) 1.0288(3) 0.5501(3) 0.0420(13) Uani 1 1 d . . . . .
N3 N 0.6760(3) 0.9854(3) 0.6200(3) 0.0402(11) Uani 1 1 d . . . . .
N4 N 0.7289(4) 0.9489(4) 0.5209(4) 0.0492(15) Uani 1 1 d . . . . .
N5 N 0.5488(3) 0.9732(3) 0.4319(3) 0.0420(14) Uani 1 1 d . . . . .
N6 N 0.1878(3) 0.3428(3) 0.6206(4) 0.0501(14) Uani 1 1 d . . . . .
N7 N 0.3060(3) 0.8099(3) 0.4140(4) 0.0461(14) Uani 1 1 d . . . . .
H7 H 0.312570 0.847847 0.429166 0.055 Uiso 1 1 calc R U . . .
O1 O 0.3549(3) 0.7577(3) 0.3668(3) 0.0550(14) Uani 1 1 d . . . . .
N8 N 0.1763(4) 0.5539(4) 0.6538(4) 0.0545(17) Uani 1 1 d . . . . .
H8 H 0.210221 0.558876 0.676091 0.065 Uiso 1 1 calc R U . . .
O2 O 0.0896(3) 0.4862(3) 0.5915(4) 0.0642(17) Uani 1 1 d . . . . .
O3 O 0.3140(5) 0.5774(5) 0.2454(5) 0.087(3) Uani 1 1 d . . . . .
O4 O 0.3401(11) 0.4926(13) 0.2215(12) 0.200(9) Uani 1 1 d . U . . .
O5 O 0.3183(11) 0.5396(12) 0.1413(8) 0.187(8) Uani 1 1 d . U . . .
O6 O 0.2955(4) 0.5978(4) 0.7301(4) 0.076(2) Uani 1 1 d . . . . .
C1 C 0.6994(3) 0.9843(4) 0.5109(3) 0.0389(14) Uani 1 1 d . . . . .
C2 C 0.6712(4) 1.0023(4) 0.5614(4) 0.0405(14) Uani 1 1 d . . . . .
C3 C 0.6092(4) 1.0306(4) 0.6095(4) 0.0441(16) Uani 1 1 d . . . . .
C4 C 0.5643(4) 1.0494(4) 0.6289(5) 0.055(2) Uani 1 1 d . . . . .
H4 H 0.544741 1.065900 0.600327 0.066 Uiso 1 1 calc R U . . .
C5 C 0.5491(5) 1.0428(6) 0.6929(6) 0.065(3) Uani 1 1 d . . . . .
H5 H 0.521367 1.058719 0.708176 0.078 Uiso 1 1 calc R U . . .
C6 C 0.5719(6) 1.0149(6) 0.7341(5) 0.066(2) Uani 1 1 d . . . . .
H6 H 0.557446 1.009073 0.776437 0.079 Uiso 1 1 calc R U . . .
C7 C 0.6164(4) 0.9944(5) 0.7155(4) 0.0536(19) Uani 1 1 d . . . . .
H7A H 0.633016 0.975273 0.744341 0.064 Uiso 1 1 calc R U . . .
C8 C 0.6351(4) 1.0034(4) 0.6531(4) 0.0447(16) Uani 1 1 d . . . . .
C9 C 0.7419(6) 0.9347(6) 0.4624(6) 0.074(3) Uani 1 1 d D . . . .
C10 C 0.7838(10) 0.9123(10) 0.4392(11) 0.058(5) Uani 0.519(19) 1 d . U P A 1
H10 H 0.806542 0.898757 0.467061 0.070 Uiso 0.519(19) 1 calc R U P A 1
C11 C 0.7912(14) 0.9104(14) 0.3757(10) 0.076(7) Uani 0.519(19) 1 d . U P A 1
H11 H 0.818130 0.893401 0.360743 0.091 Uiso 0.519(19) 1 calc R U P A 1
C12 C 0.7617(13) 0.9320(12) 0.3313(10) 0.074(6) Uani 0.519(19) 1 d . U P A 1
H12 H 0.763091 0.923123 0.288076 0.088 Uiso 0.519(19) 1 calc R U P A 1
C13 C 0.7314(11) 0.9654(10) 0.3505(10) 0.058(5) Uani 0.519(19) 1 d . U P A 1
H13 H 0.720525 0.989368 0.321540 0.069 Uiso 0.519(19) 1 calc R U P A 1
C10' C 0.7455(8) 0.8768(9) 0.4437(8) 0.068(6) Uani 0.481(19) 1 d D U P A 2
H10' H 0.761759 0.857799 0.473211 0.082 Uiso 0.481(19) 1 calc R U P A 2
C11' C 0.7258(9) 0.8462(10) 0.3824(8) 0.060(5) Uani 0.481(19) 1 d D U P A 2
H11' H 0.728485 0.807824 0.372539 0.072 Uiso 0.481(19) 1 calc R U P A 2
C12' C 0.7024(9) 0.8745(9) 0.3374(8) 0.052(5) Uani 0.481(19) 1 d D U P A 2
H12' H 0.690351 0.856855 0.296332 0.062 Uiso 0.481(19) 1 calc R U P A 2
C13' C 0.6974(10) 0.9336(10) 0.3576(7) 0.055(5) Uani 0.481(19) 1 d D U P A 2
H13' H 0.680769 0.952105 0.328031 0.066 Uiso 0.481(19) 1 calc R U P A 2
C14 C 0.7157(5) 0.9637(5) 0.4175(4) 0.063(2) Uani 1 1 d D . . . .
C15 C 0.5378(4) 0.9375(4) 0.3793(4) 0.0442(16) Uani 1 1 d . . . . .
H15 H 0.573739 0.949508 0.351278 0.053 Uiso 1 1 calc R U . . .
C16 C 0.4766(4) 0.8842(4) 0.3639(4) 0.0467(17) Uani 1 1 d . . . . .
H16 H 0.470882 0.859857 0.326476 0.056 Uiso 1 1 calc R U . . .
C17 C 0.4237(4) 0.8670(4) 0.4042(4) 0.0462(17) Uani 1 1 d . . . . .
C18 C 0.4350(4) 0.9035(4) 0.4595(4) 0.0470(16) Uani 1 1 d . . . . .
H18 H 0.400334 0.892480 0.488801 0.056 Uiso 1 1 calc R U . . .
C19 C 0.4980(4) 0.9561(4) 0.4704(4) 0.0451(17) Uani 1 1 d . . . . .
H19 H 0.505410 0.981412 0.507459 0.054 Uiso 1 1 calc R U . . .
C20 C 0.3572(4) 0.8061(4) 0.3930(4) 0.0448(16) Uani 1 1 d . . . . .
C21 C 0.2384(4) 0.7530(4) 0.4131(5) 0.0508(18) Uani 1 1 d . . . . .
H21A H 0.235056 0.722184 0.379500 0.061 Uiso 1 1 calc R U . . .
H21B H 0.207119 0.768771 0.402849 0.061 Uiso 1 1 calc R U . . .
C22 C 0.2177(4) 0.7156(4) 0.4749(4) 0.0445(16) Uani 1 1 d . . . . .
C23 C 0.1624(4) 0.7045(4) 0.5057(4) 0.0440(16) Uani 1 1 d . . . . .
H23 H 0.136152 0.721629 0.489198 0.053 Uiso 1 1 calc R U . . .
C24 C 0.1434(4) 0.6682(4) 0.5615(4) 0.0484(17) Uani 1 1 d . . . . .
H24 H 0.103684 0.660304 0.581515 0.058 Uiso 1 1 calc R U . . .
C25 C 0.1801(4) 0.6436(4) 0.5883(4) 0.0460(17) Uani 1 1 d . . . . .
C26 C 0.2354(4) 0.6542(5) 0.5571(5) 0.057(2) Uani 1 1 d . . . . .
H26 H 0.261678 0.637216 0.573795 0.068 Uiso 1 1 calc R U . . .
C27 C 0.2545(4) 0.6898(5) 0.5005(5) 0.058(2) Uani 1 1 d . . . . .
H27 H 0.293325 0.696284 0.479643 0.070 Uiso 1 1 calc R U . . .
C28 C 0.1596(5) 0.6062(5) 0.6498(5) 0.0537(19) Uani 1 1 d . . . . .
H28A H 0.181629 0.637862 0.684626 0.064 Uiso 1 1 calc R U . . .
H28B H 0.111158 0.586515 0.655190 0.064 Uiso 1 1 calc R U . . .
C29 C 0.1372(4) 0.4968(4) 0.6216(5) 0.0544(18) Uani 1 1 d . . . . .
C30 C 0.2151(4) 0.3911(4) 0.6649(4) 0.0496(18) Uani 1 1 d . . . . .
H30 H 0.243871 0.389368 0.695341 0.059 Uiso 1 1 calc R U . . .
C31 C 0.2022(4) 0.4416(4) 0.6665(4) 0.0513(18) Uani 1 1 d . . . . .
H31 H 0.223482 0.475646 0.696878 0.062 Uiso 1 1 calc R U . . .
C32 C 0.1581(4) 0.4440(4) 0.6243(5) 0.0503(17) Uani 1 1 d . . . . .
C33 C 0.1307(5) 0.3954(5) 0.5799(5) 0.060(2) Uani 1 1 d . . . . .
H33 H 0.101155 0.396108 0.549740 0.072 Uiso 1 1 calc R U . . .
C34 C 0.1459(4) 0.3454(5) 0.5788(5) 0.0550(19) Uani 1 1 d . . . . .
H34 H 0.126218 0.311818 0.547787 0.066 Uiso 1 1 calc R U . . .
C35 C 0.6331(5) 1.1423(4) 0.4420(5) 0.055(2) Uani 1 1 d . . . . .
C36 C 0.6968(7) 1.1611(5) 0.4732(6) 0.079(3) Uani 1 1 d . . . . .
C37 C 0.7348(5) 1.1470(5) 0.4337(6) 0.073(3) Uani 1 1 d . . . . .
C38 C 0.6970(5) 1.1191(6) 0.3739(5) 0.068(3) Uani 1 1 d . . . . .
C39 C 0.6372(5) 1.1202(5) 0.3812(5) 0.058(2) Uani 1 1 d . . . . .
C40 C 0.5775(7) 1.1501(6) 0.4671(6) 0.077(3) Uani 1 1 d . . . . .
H40A H 0.576554 1.186707 0.445429 0.116 Uiso 1 1 calc R U . . .
H40B H 0.584006 1.159685 0.512091 0.116 Uiso 1 1 calc R U . . .
H40C H 0.535387 1.109033 0.460315 0.116 Uiso 1 1 calc R U . . .
C41 C 0.7122(10) 1.1893(7) 0.5388(8) 0.111(6) Uani 1 1 d . . . . .
H41A H 0.742936 1.177793 0.558814 0.166 Uiso 1 1 calc R U . . .
H41B H 0.671108 1.170709 0.563144 0.166 Uiso 1 1 calc R U . . .
H41C H 0.732478 1.237591 0.536821 0.166 Uiso 1 1 calc R U . . .
C42 C 0.8027(6) 1.1536(7) 0.4429(10) 0.109(6) Uani 1 1 d . . . . .
H42A H 0.836844 1.200562 0.442297 0.164 Uiso 1 1 calc R U . . .
H42B H 0.811061 1.130316 0.409037 0.164 Uiso 1 1 calc R U . . .
H42C H 0.803797 1.134136 0.483244 0.164 Uiso 1 1 calc R U . . .
C43 C 0.7244(9) 1.1034(9) 0.3194(8) 0.108(5) Uani 1 1 d . . . . .
H43A H 0.688444 1.075616 0.290411 0.163 Uiso 1 1 calc R U . . .
H43B H 0.746982 1.079609 0.332795 0.163 Uiso 1 1 calc R U . . .
H43C H 0.756076 1.144574 0.298204 0.163 Uiso 1 1 calc R U . . .
C44 C 0.5849(6) 1.0983(6) 0.3308(6) 0.074(3) Uani 1 1 d . . . . .
H44A H 0.602671 1.128422 0.294912 0.111 Uiso 1 1 calc R U . . .
H44B H 0.546063 1.099126 0.347400 0.111 Uiso 1 1 calc R U . . .
H44C H 0.571899 1.053201 0.317441 0.111 Uiso 1 1 calc R U . . .
C45 C 0.8340(4) 1.0278(5) 0.6486(5) 0.060(2) Uani 1 1 d . . . . .
C46 C 0.7959(5) 0.9908(7) 0.7044(5) 0.073(3) Uani 1 1 d . . . . .
C47 C 0.7871(5) 0.9250(7) 0.7015(5) 0.074(3) Uani 1 1 d . . . . .
C48 C 0.8169(5) 0.9196(7) 0.6470(6) 0.072(3) Uani 1 1 d . . . . .
C49 C 0.8483(4) 0.9852(5) 0.6161(5) 0.060(2) Uani 1 1 d . . . . .
C50 C 0.8555(6) 1.0988(7) 0.6323(9) 0.093(4) Uani 1 1 d . . . . .
H50A H 0.824582 1.110954 0.650987 0.139 Uiso 1 1 calc R U . . .
H50B H 0.855596 1.103550 0.586683 0.139 Uiso 1 1 calc R U . . .
H50C H 0.900141 1.127995 0.648660 0.139 Uiso 1 1 calc R U . . .
C51 C 0.7771(8) 1.0251(11) 0.7522(8) 0.119(7) Uani 1 1 d . . . . .
H51A H 0.736962 0.992431 0.774129 0.178 Uiso 1 1 calc R U . . .
H51B H 0.768662 1.057675 0.731529 0.178 Uiso 1 1 calc R U . . .
H51C H 0.813282 1.047616 0.782443 0.178 Uiso 1 1 calc R U . . .
C52 C 0.7517(7) 0.8725(10) 0.7489(7) 0.107(6) Uani 1 1 d . . . . .
H52A H 0.717536 0.832280 0.728289 0.161 Uiso 1 1 calc R U . . .
H52B H 0.730948 0.887542 0.779767 0.161 Uiso 1 1 calc R U . . .
H52C H 0.783277 0.862864 0.770140 0.161 Uiso 1 1 calc R U . . .
C53 C 0.8236(7) 0.8612(8) 0.6287(9) 0.096(4) Uani 1 1 d . . . . .
H53A H 0.852915 0.856325 0.658439 0.144 Uiso 1 1 calc R U . . .
H53B H 0.842372 0.868093 0.586503 0.144 Uiso 1 1 calc R U . . .
H53C H 0.779862 0.821077 0.629305 0.144 Uiso 1 1 calc R U . . .
C54 C 0.8871(7) 0.9978(8) 0.5565(7) 0.085(4) Uani 1 1 d . . . . .
H54A H 0.921634 1.044579 0.554493 0.127 Uiso 1 1 calc R U . . .
H54B H 0.857309 0.987051 0.520498 0.127 Uiso 1 1 calc R U . . .
H54C H 0.907683 0.970005 0.555527 0.127 Uiso 1 1 calc R U . . .
C55 C 0.2187(18) 0.4603(16) 0.2121(14) 0.189(12) Uani 1 1 d D U . . .
C56 C 0.333333 0.666667 0.8300(10) 0.071(5) Uani 1 3 d S T P . .
F1 F 0.2043(12) 0.4522(10) 0.2709(8) 0.211(8) Uani 1 1 d D U . . .
F2 F 0.1796(11) 0.4801(17) 0.1942(15) 0.272(13) Uani 1 1 d D U . . .
F3 F 0.2081(16) 0.4037(15) 0.1778(16) 0.319(15) Uani 1 1 d D U . . .
F4 F 0.2721(5) 0.6333(5) 0.8524(4) 0.107(3) Uani 1 1 d . . . . .
C57 C 0.2951(10) 0.4667(13) 0.8248(9) 0.125(7) Uani 1 1 d . . . . .
O9 O 0.2574(5) 0.3979(7) 0.8134(5) 0.103(3) 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
Rh1 N5 2.124(6) . ?
Rh1 C35 2.152(8) . ?
Rh1 C38 2.156(10) . ?
Rh1 C37 2.160(10) . ?
Rh1 C36 2.170(11) . ?
Rh1 N2 2.171(7) . ?
Rh1 N1 2.176(6) . ?
Rh1 C39 2.179(9) . ?
Rh2 N6 2.133(7) 2_665 ?
Rh2 C46 2.147(10) . ?
Rh2 C48 2.155(10) . ?
Rh2 C45 2.160(9) . ?
Rh2 C47 2.166(10) . ?
Rh2 N4 2.174(8) . ?
Rh2 C49 2.179(8) . ?
Rh2 N3 2.194(6) . ?
Ca1 O1 2.297(7) 2_665 ?
Ca1 O1 2.297(7) 3_565 ?
Ca1 O1 2.297(7) . ?
Ca1 O3 2.315(9) . ?
Ca1 O3 2.315(9) 3_565 ?
Ca1 O3 2.315(9) 2_665 ?
S1 O4 1.38(2) . ?
S1 O5 1.419(18) . ?
S1 O3 1.430(10) . ?
S1 C55 1.81(4) . ?
S2 O6 1.437(8) 2_665 ?
S2 O6 1.437(8) . ?
S2 O6 1.437(8) 3_565 ?
S2 C56 1.78(2) . ?
N1 C1 1.323(11) . ?
N1 C14 1.374(12) . ?
N2 C2 1.310(10) . ?
N2 C3 1.406(10) . ?
N3 C2 1.332(11) . ?
N3 C8 1.410(10) . ?
N4 C1 1.329(11) . ?
N4 C9 1.364(14) . ?
N5 C19 1.326(10) . ?
N5 C15 1.345(11) . ?
N6 C34 1.347(12) . ?
N6 C30 1.360(12) . ?
N7 C20 1.319(11) . ?
N7 C21 1.467(10) . ?
N7 H7 0.8800 . ?
O1 C20 1.237(10) . ?
N8 C29 1.364(13) . ?
N8 C28 1.456(12) . ?
N8 H8 0.8800 . ?
O2 C29 1.196(12) . ?
C1 C2 1.430(10) . ?
C3 C4 1.384(12) . ?
C3 C8 1.419(11) . ?
C4 C5 1.401(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.349(17) . ?
C5 H5 0.9500 . ?
C6 C7 1.398(14) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(12) . ?
C7 H7A 0.9500 . ?
C9 C10 1.41(2) . ?
C9 C10' 1.451(18) . ?
C9 C14 1.471(15) . ?
C10 C11 1.37(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.40(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.35(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.47(2) . ?
C13 H13 0.9500 . ?
C10' C11' 1.45(2) . ?
C10' H10' 0.9500 . ?
C11' C12' 1.42(2) . ?
C11' H11' 0.9500 . ?
C12' C13' 1.50(2) . ?
C12' H12' 0.9500 . ?
C13' C14 1.418(17) . ?
C13' H13' 0.9500 . ?
C15 C16 1.383(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.389(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(13) . ?
C17 C20 1.508(11) . ?
C18 C19 1.383(11) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C22 1.520(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.352(11) . ?
C22 C27 1.382(12) . ?
C23 C24 1.400(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.370(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.360(12) . ?
C25 C28 1.515(12) . ?
C26 C27 1.405(14) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C32 1.532(12) . ?
C30 C31 1.351(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.390(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.365(15) . ?
C33 C34 1.377(15) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C39 1.419(15) . ?
C35 C36 1.480(16) . ?
C35 C40 1.495(16) . ?
C36 C37 1.38(2) . ?
C36 C41 1.51(2) . ?
C37 C38 1.500(17) . ?
C37 C42 1.524(19) . ?
C38 C39 1.416(16) . ?
C38 C43 1.46(2) . ?
C39 C44 1.510(15) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C49 1.383(15) . ?
C45 C46 1.478(16) . ?
C45 C50 1.510(19) . ?
C46 C47 1.44(2) . ?
C46 C51 1.49(2) . ?
C47 C48 1.392(18) . ?
C47 C52 1.481(18) . ?
C48 C49 1.480(16) . ?
C48 C53 1.50(2) . ?
C49 C54 1.502(17) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 F2 1.27(3) . ?
C55 F1 1.29(2) . ?
C55 F3 1.42(2) . ?
C56 F4 1.326(12) 3_565 ?
C56 F4 1.326(12) 2_665 ?
C56 F4 1.326(12) . ?
C57 O9 1.41(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Rh1 C35 106.3(3) . . ?
N5 Rh1 C38 116.7(4) . . ?
C35 Rh1 C38 65.5(4) . . ?
N5 Rh1 C37 157.3(4) . . ?
C35 Rh1 C37 65.2(4) . . ?
C38 Rh1 C37 40.7(5) . . ?
N5 Rh1 C36 144.8(4) . . ?
C35 Rh1 C36 40.0(4) . . ?
C38 Rh1 C36 65.4(5) . . ?
C37 Rh1 C36 37.1(5) . . ?
N5 Rh1 N2 91.2(2) . . ?
C35 Rh1 N2 109.0(3) . . ?
C38 Rh1 N2 152.0(4) . . ?
C37 Rh1 N2 111.4(4) . . ?
C36 Rh1 N2 92.5(4) . . ?
N5 Rh1 N1 90.3(2) . . ?
C35 Rh1 N1 161.1(3) . . ?
C38 Rh1 N1 99.1(4) . . ?
C37 Rh1 N1 96.0(4) . . ?
C36 Rh1 N1 124.7(4) . . ?
N2 Rh1 N1 79.0(3) . . ?
N5 Rh1 C39 95.2(3) . . ?
C35 Rh1 C39 38.2(4) . . ?
C38 Rh1 C39 38.1(4) . . ?
C37 Rh1 C39 64.7(4) . . ?
C36 Rh1 C39 64.4(4) . . ?
N2 Rh1 C39 147.0(4) . . ?
N1 Rh1 C39 133.1(4) . . ?
N6 Rh2 C46 123.4(4) 2_665 . ?
N6 Rh2 C48 99.5(4) 2_665 . ?
C46 Rh2 C48 64.7(5) . . ?
N6 Rh2 C45 160.8(3) 2_665 . ?
C46 Rh2 C45 40.1(4) . . ?
C48 Rh2 C45 65.9(5) . . ?
N6 Rh2 C47 94.6(4) 2_665 . ?
C46 Rh2 C47 39.1(5) . . ?
C48 Rh2 C47 37.6(5) . . ?
C45 Rh2 C47 66.3(4) . . ?
N6 Rh2 N4 89.1(3) 2_665 . ?
C46 Rh2 N4 147.4(4) . . ?
C48 Rh2 N4 114.9(4) . . ?
C45 Rh2 N4 108.0(4) . . ?
C47 Rh2 N4 152.4(4) . . ?
N6 Rh2 C49 135.8(3) 2_665 . ?
C46 Rh2 C49 63.8(4) . . ?
C48 Rh2 C49 39.9(4) . . ?
C45 Rh2 C49 37.2(4) . . ?
C47 Rh2 C49 64.2(4) . . ?
N4 Rh2 C49 94.5(4) . . ?
N6 Rh2 N3 90.5(2) 2_665 . ?
C46 Rh2 N3 97.9(4) . . ?
C48 Rh2 N3 162.6(4) . . ?
C45 Rh2 N3 100.8(3) . . ?
C47 Rh2 N3 127.9(4) . . ?
N4 Rh2 N3 79.2(3) . . ?
C49 Rh2 N3 133.5(3) . . ?
O1 Ca1 O1 92.7(3) 2_665 3_565 ?
O1 Ca1 O1 92.7(3) 2_665 . ?
O1 Ca1 O1 92.7(3) 3_565 . ?
O1 Ca1 O3 89.2(3) 2_665 . ?
O1 Ca1 O3 87.8(3) 3_565 . ?
O1 Ca1 O3 178.0(4) . . ?
O1 Ca1 O3 87.8(3) 2_665 3_565 ?
O1 Ca1 O3 178.0(3) 3_565 3_565 ?
O1 Ca1 O3 89.2(3) . 3_565 ?
O3 Ca1 O3 90.3(4) . 3_565 ?
O1 Ca1 O3 178.0(3) 2_665 2_665 ?
O1 Ca1 O3 89.2(3) 3_565 2_665 ?
O1 Ca1 O3 87.8(3) . 2_665 ?
O3 Ca1 O3 90.3(4) . 2_665 ?
O3 Ca1 O3 90.3(4) 3_565 2_665 ?
O4 S1 O5 105.1(16) . . ?
O4 S1 O3 116.9(11) . . ?
O5 S1 O3 115.6(12) . . ?
O4 S1 C55 104.9(17) . . ?
O5 S1 C55 106.9(13) . . ?
O3 S1 C55 106.7(11) . . ?
O6 S2 O6 114.1(3) 2_665 . ?
O6 S2 O6 114.1(3) 2_665 3_565 ?
O6 S2 O6 114.1(3) . 3_565 ?
O6 S2 C56 104.3(4) 2_665 . ?
O6 S2 C56 104.3(4) . . ?
O6 S2 C56 104.3(4) 3_565 . ?
C1 N1 C14 104.2(7) . . ?
C1 N1 Rh1 108.0(5) . . ?
C14 N1 Rh1 146.8(6) . . ?
C2 N2 C3 103.2(6) . . ?
C2 N2 Rh1 108.9(5) . . ?
C3 N2 Rh1 147.7(5) . . ?
C2 N3 C8 102.2(6) . . ?
C2 N3 Rh2 109.0(5) . . ?
C8 N3 Rh2 148.7(6) . . ?
C1 N4 C9 104.5(7) . . ?
C1 N4 Rh2 109.1(5) . . ?
C9 N4 Rh2 146.3(6) . . ?
C19 N5 C15 117.8(7) . . ?
C19 N5 Rh1 120.9(5) . . ?
C15 N5 Rh1 121.3(5) . . ?
C34 N6 C30 118.1(8) . . ?
C34 N6 Rh2 119.3(6) . 3_565 ?
C30 N6 Rh2 122.3(6) . 3_565 ?
C20 N7 C21 122.3(7) . . ?
C20 N7 H7 118.9 . . ?
C21 N7 H7 118.9 . . ?
C20 O1 Ca1 168.7(6) . . ?
C29 N8 C28 117.5(8) . . ?
C29 N8 H8 121.3 . . ?
C28 N8 H8 121.3 . . ?
S1 O3 Ca1 177.3(7) . . ?
N1 C1 N4 117.4(7) . . ?
N1 C1 C2 120.5(7) . . ?
N4 C1 C2 121.1(7) . . ?
N2 C2 N3 119.0(7) . . ?
N2 C2 C1 120.5(7) . . ?
N3 C2 C1 120.1(7) . . ?
C4 C3 N2 132.1(8) . . ?
C4 C3 C8 120.2(8) . . ?
N2 C3 C8 107.6(7) . . ?
C3 C4 C5 116.5(9) . . ?
C3 C4 H4 121.8 . . ?
C5 C4 H4 121.8 . . ?
C6 C5 C4 123.4(9) . . ?
C6 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C5 C6 C7 121.1(9) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C8 C7 C6 116.9(9) . . ?
C8 C7 H7A 121.5 . . ?
C6 C7 H7A 121.5 . . ?
C7 C8 N3 130.2(8) . . ?
C7 C8 C3 121.7(8) . . ?
N3 C8 C3 107.9(7) . . ?
N4 C9 C10 133.8(13) . . ?
N4 C9 C10' 127.0(11) . . ?
N4 C9 C14 107.0(8) . . ?
C10 C9 C14 117.7(13) . . ?
C10' C9 C14 118.6(12) . . ?
C11 C10 C9 118.9(18) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 124.4(19) . . ?
C10 C11 H11 117.8 . . ?
C12 C11 H11 117.8 . . ?
C13 C12 C11 119.5(19) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 118.4(19) . . ?
C12 C13 H13 120.8 . . ?
C14 C13 H13 120.8 . . ?
C11' C10' C9 123.7(16) . . ?
C11' C10' H10' 118.1 . . ?
C9 C10' H10' 118.1 . . ?
C12' C11' C10' 118.8(18) . . ?
C12' C11' H11' 120.6 . . ?
C10' C11' H11' 120.6 . . ?
C11' C12' C13' 117.2(16) . . ?
C11' C12' H12' 121.4 . . ?
C13' C12' H12' 121.4 . . ?
C14 C13' C12' 124.8(15) . . ?
C14 C13' H13' 117.6 . . ?
C12' C13' H13' 117.6 . . ?
N1 C14 C13' 128.8(10) . . ?
N1 C14 C13 133.3(12) . . ?
N1 C14 C9 106.7(8) . . ?
C13' C14 C9 116.8(11) . . ?
C13 C14 C9 119.4(12) . . ?
N5 C15 C16 123.1(8) . . ?
N5 C15 H15 118.5 . . ?
C16 C15 H15 118.5 . . ?
C15 C16 C17 118.7(8) . . ?
C15 C16 H16 120.7 . . ?
C17 C16 H16 120.7 . . ?
C16 C17 C18 118.4(7) . . ?
C16 C17 C20 121.3(8) . . ?
C18 C17 C20 120.0(7) . . ?
C19 C18 C17 118.3(8) . . ?
C19 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
N5 C19 C18 123.7(8) . . ?
N5 C19 H19 118.2 . . ?
C18 C19 H19 118.2 . . ?
O1 C20 N7 126.0(8) . . ?
O1 C20 C17 119.1(7) . . ?
N7 C20 C17 114.9(7) . . ?
N7 C21 C22 113.3(7) . . ?
N7 C21 H21A 108.9 . . ?
C22 C21 H21A 108.9 . . ?
N7 C21 H21B 108.9 . . ?
C22 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C23 C22 C27 117.6(8) . . ?
C23 C22 C21 121.9(7) . . ?
C27 C22 C21 120.4(7) . . ?
C22 C23 C24 120.9(7) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 122.2(8) . . ?
C25 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C26 C25 C24 116.8(8) . . ?
C26 C25 C28 121.9(8) . . ?
C24 C25 C28 121.3(8) . . ?
C25 C26 C27 121.5(8) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C22 C27 C26 121.0(8) . . ?
C22 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
N8 C28 C25 113.1(7) . . ?
N8 C28 H28A 109.0 . . ?
C25 C28 H28A 109.0 . . ?
N8 C28 H28B 109.0 . . ?
C25 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
O2 C29 N8 124.7(8) . . ?
O2 C29 C32 119.3(9) . . ?
N8 C29 C32 116.0(8) . . ?
C31 C30 N6 121.6(8) . . ?
C31 C30 H30 119.2 . . ?
N6 C30 H30 119.2 . . ?
C30 C31 C32 120.6(9) . . ?
C30 C31 H31 119.7 . . ?
C32 C31 H31 119.7 . . ?
C33 C32 C31 117.6(9) . . ?
C33 C32 C29 115.8(8) . . ?
C31 C32 C29 126.6(9) . . ?
C32 C33 C34 120.2(9) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
N6 C34 C33 121.7(9) . . ?
N6 C34 H34 119.1 . . ?
C33 C34 H34 119.1 . . ?
C39 C35 C36 106.3(10) . . ?
C39 C35 C40 126.3(9) . . ?
C36 C35 C40 127.2(11) . . ?
C39 C35 Rh1 71.9(5) . . ?
C36 C35 Rh1 70.6(6) . . ?
C40 C35 Rh1 126.0(7) . . ?
C37 C36 C35 108.8(10) . . ?
C37 C36 C41 129.1(14) . . ?
C35 C36 C41 122.0(15) . . ?
C37 C36 Rh1 71.1(7) . . ?
C35 C36 Rh1 69.3(5) . . ?
C41 C36 Rh1 124.3(9) . . ?
C36 C37 C38 108.5(10) . . ?
C36 C37 C42 131.0(14) . . ?
C38 C37 C42 120.5(14) . . ?
C36 C37 Rh1 71.9(6) . . ?
C38 C37 Rh1 69.5(5) . . ?
C42 C37 Rh1 122.7(8) . . ?
C39 C38 C43 130.4(12) . . ?
C39 C38 C37 105.6(10) . . ?
C43 C38 C37 123.5(12) . . ?
C39 C38 Rh1 71.8(5) . . ?
C43 C38 Rh1 128.5(10) . . ?
C37 C38 Rh1 69.8(6) . . ?
C38 C39 C35 110.6(9) . . ?
C38 C39 C44 123.6(11) . . ?
C35 C39 C44 125.8(10) . . ?
C38 C39 Rh1 70.0(5) . . ?
C35 C39 Rh1 69.8(5) . . ?
C44 C39 Rh1 125.5(7) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C49 C45 C46 106.0(10) . . ?
C49 C45 C50 127.2(11) . . ?
C46 C45 C50 126.7(12) . . ?
C49 C45 Rh2 72.2(6) . . ?
C46 C45 Rh2 69.5(5) . . ?
C50 C45 Rh2 125.1(8) . . ?
C47 C46 C45 108.1(10) . . ?
C47 C46 C51 132.4(14) . . ?
C45 C46 C51 119.4(15) . . ?
C47 C46 Rh2 71.1(6) . . ?
C45 C46 Rh2 70.4(5) . . ?
C51 C46 Rh2 126.2(8) . . ?
C48 C47 C46 108.6(10) . . ?
C48 C47 C52 126.3(15) . . ?
C46 C47 C52 125.0(14) . . ?
C48 C47 Rh2 70.8(6) . . ?
C46 C47 Rh2 69.8(6) . . ?
C52 C47 Rh2 125.0(8) . . ?
C47 C48 C49 106.9(12) . . ?
C47 C48 C53 125.7(13) . . ?
C49 C48 C53 126.8(12) . . ?
C47 C48 Rh2 71.6(6) . . ?
C49 C48 Rh2 70.9(5) . . ?
C53 C48 Rh2 129.0(9) . . ?
C45 C49 C48 110.2(10) . . ?
C45 C49 C54 128.5(11) . . ?
C48 C49 C54 121.3(11) . . ?
C45 C49 Rh2 70.7(5) . . ?
C48 C49 Rh2 69.2(5) . . ?
C54 C49 Rh2 124.9(8) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F2 C55 F1 100(3) . . ?
F2 C55 F3 111(3) . . ?
F1 C55 F3 117(3) . . ?
F2 C55 S1 113(2) . . ?
F1 C55 S1 107(3) . . ?
F3 C55 S1 109(2) . . ?
F4 C56 F4 107.8(10) 3_565 2_665 ?
F4 C56 F4 107.8(10) 3_565 . ?
F4 C56 F4 107.8(10) 2_665 . ?
F4 C56 S2 111.1(9) 3_565 . ?
F4 C56 S2 111.1(9) 2_665 . ?
F4 C56 S2 111.1(9) . . ?

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
C14 N1 C1 N4 -5.2(10) . . . . ?
Rh1 N1 C1 N4 -177.2(6) . . . . ?
C14 N1 C1 C2 -173.8(8) . . . . ?
Rh1 N1 C1 C2 14.2(8) . . . . ?
C9 N4 C1 N1 4.2(10) . . . . ?
Rh2 N4 C1 N1 -178.8(5) . . . . ?
C9 N4 C1 C2 172.8(8) . . . . ?
Rh2 N4 C1 C2 -10.3(9) . . . . ?
C3 N2 C2 N3 -0.2(9) . . . . ?
Rh1 N2 C2 N3 176.1(5) . . . . ?
C3 N2 C2 C1 172.3(7) . . . . ?
Rh1 N2 C2 C1 -11.5(8) . . . . ?
C8 N3 C2 N2 0.3(9) . . . . ?
Rh2 N3 C2 N2 179.8(5) . . . . ?
C8 N3 C2 C1 -172.1(7) . . . . ?
Rh2 N3 C2 C1 7.3(8) . . . . ?
N1 C1 C2 N2 -2.1(11) . . . . ?
N4 C1 C2 N2 -170.3(7) . . . . ?
N1 C1 C2 N3 170.3(7) . . . . ?
N4 C1 C2 N3 2.1(11) . . . . ?
C2 N2 C3 C4 -175.8(9) . . . . ?
Rh1 N2 C3 C4 10.9(16) . . . . ?
C2 N2 C3 C8 -0.1(8) . . . . ?
Rh1 N2 C3 C8 -173.4(7) . . . . ?
N2 C3 C4 C5 178.1(9) . . . . ?
C8 C3 C4 C5 2.8(12) . . . . ?
C3 C4 C5 C6 -5.2(15) . . . . ?
C4 C5 C6 C7 4.3(17) . . . . ?
C5 C6 C7 C8 -0.8(15) . . . . ?
C6 C7 C8 N3 -176.7(8) . . . . ?
C6 C7 C8 C3 -1.5(13) . . . . ?
C2 N3 C8 C7 175.4(9) . . . . ?
Rh2 N3 C8 C7 -3.6(15) . . . . ?
C2 N3 C8 C3 -0.3(8) . . . . ?
Rh2 N3 C8 C3 -179.4(7) . . . . ?
C4 C3 C8 C7 0.4(12) . . . . ?
N2 C3 C8 C7 -175.9(8) . . . . ?
C4 C3 C8 N3 176.6(7) . . . . ?
N2 C3 C8 N3 0.3(8) . . . . ?
C1 N4 C9 C10 163.6(16) . . . . ?
Rh2 N4 C9 C10 -11(3) . . . . ?
C1 N4 C9 C10' -150.3(10) . . . . ?
Rh2 N4 C9 C10' 35.0(18) . . . . ?
C1 N4 C9 C14 -1.4(11) . . . . ?
Rh2 N4 C9 C14 -176.1(9) . . . . ?
N4 C9 C10 C11 -172(2) . . . . ?
C14 C9 C10 C11 -8(2) . . . . ?
C9 C10 C11 C12 3(4) . . . . ?
C10 C11 C12 C13 10(4) . . . . ?
C11 C12 C13 C14 -15(3) . . . . ?
N4 C9 C10' C11' 146.9(12) . . . . ?
C14 C9 C10' C11' 1.1(6) . . . . ?
C9 C10' C11' C12' 0.9(7) . . . . ?
C10' C11' C12' C13' -2.1(14) . . . . ?
C11' C12' C13' C14 1(2) . . . . ?
C1 N1 C14 C13' 151.6(13) . . . . ?
Rh1 N1 C14 C13' -43(2) . . . . ?
C1 N1 C14 C13 -166.8(14) . . . . ?
Rh1 N1 C14 C13 -1(2) . . . . ?
C1 N1 C14 C9 3.8(10) . . . . ?
Rh1 N1 C14 C9 169.7(9) . . . . ?
C12' C13' C14 N1 -144.6(14) . . . . ?
C12' C13' C14 C9 1(2) . . . . ?
C12 C13 C14 N1 178.8(17) . . . . ?
C12 C13 C14 C9 9(2) . . . . ?
N4 C9 C14 N1 -1.5(12) . . . . ?
C10 C9 C14 N1 -169.4(12) . . . . ?
C10' C9 C14 N1 150.4(9) . . . . ?
N4 C9 C14 C13' -153.8(12) . . . . ?
C10' C9 C14 C13' -1.8(13) . . . . ?
N4 C9 C14 C13 170.6(12) . . . . ?
C10 C9 C14 C13 2.8(17) . . . . ?
C19 N5 C15 C16 -0.4(11) . . . . ?
Rh1 N5 C15 C16 -178.5(6) . . . . ?
N5 C15 C16 C17 0.8(12) . . . . ?
C15 C16 C17 C18 -1.5(11) . . . . ?
C15 C16 C17 C20 -174.8(7) . . . . ?
C16 C17 C18 C19 1.7(11) . . . . ?
C20 C17 C18 C19 175.2(7) . . . . ?
C15 N5 C19 C18 0.7(11) . . . . ?
Rh1 N5 C19 C18 178.7(6) . . . . ?
C17 C18 C19 N5 -1.4(12) . . . . ?
Ca1 O1 C20 N7 43(4) . . . . ?
Ca1 O1 C20 C17 -138(3) . . . . ?
C21 N7 C20 O1 5.1(14) . . . . ?
C21 N7 C20 C17 -173.4(8) . . . . ?
C16 C17 C20 O1 30.7(11) . . . . ?
C18 C17 C20 O1 -142.6(8) . . . . ?
C16 C17 C20 N7 -150.7(8) . . . . ?
C18 C17 C20 N7 36.0(11) . . . . ?
C20 N7 C21 C22 96.2(10) . . . . ?
N7 C21 C22 C23 125.0(8) . . . . ?
N7 C21 C22 C27 -56.9(11) . . . . ?
C27 C22 C23 C24 -0.1(12) . . . . ?
C21 C22 C23 C24 178.0(7) . . . . ?
C22 C23 C24 C25 1.6(13) . . . . ?
C23 C24 C25 C26 -2.0(13) . . . . ?
C23 C24 C25 C28 178.1(8) . . . . ?
C24 C25 C26 C27 1.1(14) . . . . ?
C28 C25 C26 C27 -179.0(9) . . . . ?
C23 C22 C27 C26 -0.8(14) . . . . ?
C21 C22 C27 C26 -179.0(9) . . . . ?
C25 C26 C27 C22 0.3(16) . . . . ?
C29 N8 C28 C25 -76.4(10) . . . . ?
C26 C25 C28 N8 -33.5(12) . . . . ?
C24 C25 C28 N8 146.4(8) . . . . ?
C28 N8 C29 O2 -1.7(14) . . . . ?
C28 N8 C29 C32 177.3(8) . . . . ?
C34 N6 C30 C31 -1.6(12) . . . . ?
Rh2 N6 C30 C31 -175.1(6) 3_565 . . . ?
N6 C30 C31 C32 2.8(13) . . . . ?
C30 C31 C32 C33 -2.6(13) . . . . ?
C30 C31 C32 C29 178.3(8) . . . . ?
O2 C29 C32 C33 15.8(13) . . . . ?
N8 C29 C32 C33 -163.3(8) . . . . ?
O2 C29 C32 C31 -165.1(9) . . . . ?
N8 C29 C32 C31 15.8(13) . . . . ?
C31 C32 C33 C34 1.4(13) . . . . ?
C29 C32 C33 C34 -179.4(8) . . . . ?
C30 N6 C34 C33 0.4(13) . . . . ?
Rh2 N6 C34 C33 174.1(7) 3_565 . . . ?
C32 C33 C34 N6 -0.4(14) . . . . ?
C39 C35 C36 C37 -3.3(11) . . . . ?
C40 C35 C36 C37 -178.7(9) . . . . ?
Rh1 C35 C36 C37 60.3(8) . . . . ?
C39 C35 C36 C41 178.2(10) . . . . ?
C40 C35 C36 C41 2.7(16) . . . . ?
Rh1 C35 C36 C41 -118.3(11) . . . . ?
C39 C35 C36 Rh1 -63.6(6) . . . . ?
C40 C35 C36 Rh1 121.0(10) . . . . ?
C35 C36 C37 C38 0.9(12) . . . . ?
C41 C36 C37 C38 179.3(11) . . . . ?
Rh1 C36 C37 C38 60.1(7) . . . . ?
C35 C36 C37 C42 -177.1(11) . . . . ?
C41 C36 C37 C42 1(2) . . . . ?
Rh1 C36 C37 C42 -117.9(13) . . . . ?
C35 C36 C37 Rh1 -59.2(7) . . . . ?
C41 C36 C37 Rh1 119.2(13) . . . . ?
C36 C37 C38 C39 1.8(12) . . . . ?
C42 C37 C38 C39 -179.9(10) . . . . ?
Rh1 C37 C38 C39 63.4(6) . . . . ?
C36 C37 C38 C43 174.9(12) . . . . ?
C42 C37 C38 C43 -6.8(18) . . . . ?
Rh1 C37 C38 C43 -123.5(13) . . . . ?
C36 C37 C38 Rh1 -61.6(8) . . . . ?
C42 C37 C38 Rh1 116.7(10) . . . . ?
C43 C38 C39 C35 -176.4(13) . . . . ?
C37 C38 C39 C35 -4.0(11) . . . . ?
Rh1 C38 C39 C35 58.1(7) . . . . ?
C43 C38 C39 C44 5.5(19) . . . . ?
C37 C38 C39 C44 178.0(9) . . . . ?
Rh1 C38 C39 C44 -120.0(9) . . . . ?
C43 C38 C39 Rh1 125.5(14) . . . . ?
C37 C38 C39 Rh1 -62.1(6) . . . . ?
C36 C35 C39 C38 4.5(10) . . . . ?
C40 C35 C39 C38 -180.0(9) . . . . ?
Rh1 C35 C39 C38 -58.2(7) . . . . ?
C36 C35 C39 C44 -177.5(9) . . . . ?
C40 C35 C39 C44 -1.9(15) . . . . ?
Rh1 C35 C39 C44 119.8(10) . . . . ?
C36 C35 C39 Rh1 62.7(6) . . . . ?
C40 C35 C39 Rh1 -121.8(9) . . . . ?
C49 C45 C46 C47 -1.9(10) . . . . ?
C50 C45 C46 C47 -179.3(10) . . . . ?
Rh2 C45 C46 C47 61.5(6) . . . . ?
C49 C45 C46 C51 175.4(10) . . . . ?
C50 C45 C46 C51 -2.0(16) . . . . ?
Rh2 C45 C46 C51 -121.2(10) . . . . ?
C49 C45 C46 Rh2 -63.4(6) . . . . ?
C50 C45 C46 Rh2 119.2(10) . . . . ?
C45 C46 C47 C48 -0.7(11) . . . . ?
C51 C46 C47 C48 -177.4(11) . . . . ?
Rh2 C46 C47 C48 60.4(7) . . . . ?
C45 C46 C47 C52 179.7(10) . . . . ?
C51 C46 C47 C52 3.0(18) . . . . ?
Rh2 C46 C47 C52 -119.2(11) . . . . ?
C45 C46 C47 Rh2 -61.0(6) . . . . ?
C51 C46 C47 Rh2 122.2(12) . . . . ?
C46 C47 C48 C49 2.8(11) . . . . ?
C52 C47 C48 C49 -177.6(10) . . . . ?
Rh2 C47 C48 C49 62.5(7) . . . . ?
C46 C47 C48 C53 174.9(10) . . . . ?
C52 C47 C48 C53 -5.5(18) . . . . ?
Rh2 C47 C48 C53 -125.3(12) . . . . ?
C46 C47 C48 Rh2 -59.7(7) . . . . ?
C52 C47 C48 Rh2 119.9(11) . . . . ?
C46 C45 C49 C48 3.6(10) . . . . ?
C50 C45 C49 C48 -179.0(10) . . . . ?
Rh2 C45 C49 C48 -58.0(7) . . . . ?
C46 C45 C49 C54 -178.7(10) . . . . ?
C50 C45 C49 C54 -1.3(17) . . . . ?
Rh2 C45 C49 C54 119.7(11) . . . . ?
C46 C45 C49 Rh2 61.6(6) . . . . ?
C50 C45 C49 Rh2 -121.0(11) . . . . ?
C47 C48 C49 C45 -4.1(11) . . . . ?
C53 C48 C49 C45 -176.2(11) . . . . ?
Rh2 C48 C49 C45 58.9(7) . . . . ?
C47 C48 C49 C54 178.0(10) . . . . ?
C53 C48 C49 C54 6.0(17) . . . . ?
Rh2 C48 C49 C54 -119.0(10) . . . . ?
C47 C48 C49 Rh2 -63.0(7) . . . . ?
C53 C48 C49 Rh2 125.0(12) . . . . ?
O4 S1 C55 F2 -175(3) . . . . ?
O5 S1 C55 F2 -63(3) . . . . ?
O3 S1 C55 F2 61(3) . . . . ?
O4 S1 C55 F1 77(3) . . . . ?
O5 S1 C55 F1 -172(2) . . . . ?
O3 S1 C55 F1 -48(3) . . . . ?
O4 S1 C55 F3 -51(3) . . . . ?
O5 S1 C55 F3 61(3) . . . . ?
O3 S1 C55 F3 -175(2) . . . . ?
O6 S2 C56 F4 66.3(6) 2_665 . . 3_565 ?
O6 S2 C56 F4 -173.7(6) . . . 3_565 ?
O6 S2 C56 F4 -53.7(6) 3_565 . . 3_565 ?
O6 S2 C56 F4 -53.7(6) 2_665 . . 2_665 ?
O6 S2 C56 F4 66.3(6) . . . 2_665 ?
O6 S2 C56 F4 -173.7(6) 3_565 . . 2_665 ?
O6 S2 C56 F4 -173.7(6) 2_665 . . . ?
O6 S2 C56 F4 -53.7(6) . . . . ?
O6 S2 C56 F4 66.3(6) 3_565 . . . ?

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
N8 H8 O6 0.88 2.07 2.929(11) 163.9 .

_refine_diff_density_max         0.758
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.135



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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1965232'
loop_
_audit_author_name
_audit_author_address
'lilong dang'
;fudan university
China
;
_audit_update_record             
;
2019-11-12 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;
_audit_creation_date             2019-11-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C327 F3 K2 N48 O17 Rh12 S, 6.56(C F3 O3 S), C O, 0.44(C F3), 0.44(O3 S), 4(O)'
_chemical_formula_sum            'C333 H250 F35 K2 N99 O100 Rh12 S7'
_chemical_formula_weight         9440.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3778 0.8310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 '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'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   22.5096(15)
_cell_length_b                   25.221(2)
_cell_length_c                   39.360(3)
_cell_angle_alpha                72.977(3)
_cell_angle_beta                 89.886(4)
_cell_angle_gamma                76.760(4)
_cell_volume                     20748(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.467
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             9492
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0555
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            84738
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.000
_diffrn_reflns_theta_min         2.791
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                68428
_reflns_number_total             84738
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         10.959
_refine_diff_density_min         -2.375
_refine_diff_density_rms         0.423
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.124
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4439
_refine_ls_number_reflns         84738
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.2025
_refine_ls_R_factor_gt           0.1885
_refine_ls_restrained_S_all      2.131
_refine_ls_shift/su_max          12.670
_refine_ls_shift/su_mean         0.084
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+0.6831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4726
_refine_ls_wR_factor_ref         0.4884
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{C23, C23'}
2. Restrained distances
 C14I-C15I
 1.4 with sigma of 0.02
 C11I-C16I = C12I-C17I = C13I-C18I = C14I-C19I = C15I-C20I
 1.48 with sigma of 0.02
 C16I-C17I = C17I-C18I = C18I-C19I = C19I-C20I = C16I-C20I
 3.2 with sigma of 0.03
 C341-O57
 1.42 with sigma of 0.03
 C326-F5 = C432-F22' = C432-F23' = C432-F24'
 1.32 with sigma of 0.02
 S1-O15
 1.43 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C23) = Uanis(C23')
4. Others
 Sof(C432)=Sof(F22')=Sof(F23')=Sof(F24')=Sof(S8')=Sof(O34')=Sof(O35')=
 Sof(O36')=1-FVAR(1)
 Sof(S8)=Sof(C332)=Sof(O34)=Sof(O35)=Sof(O36)=Sof(F22)=Sof(F23)=Sof(F24)=FVAR(1)
 Sof(C11K)=Sof(C12K)=Sof(C13K)=Sof(C14K)=Sof(C15K)=Sof(C16K)=Sof(C17K)=
 Sof(C18K)=Sof(C19K)=Sof(C20K)=1-FVAR(2)
 Sof(C1K)=Sof(C2K)=Sof(C3K)=Sof(C4K)=Sof(C5K)=Sof(C6K)=Sof(C7K)=Sof(C8K)=
 Sof(C9K)=Sof(C10K)=FVAR(2)
 Sof(C23')=Sof(C24')=Sof(C25')=Sof(C26')=Sof(C27')=Sof(C28')=1-FVAR(3)
 Sof(C23)=Sof(C24)=Sof(C25)=Sof(C26)=Sof(C27)=Sof(C28)=FVAR(3)
 Sof(C11I)=Sof(C12I)=Sof(C13I)=Sof(C14I)=Sof(C15I)=Sof(C16I)=Sof(C17I)=
 Sof(C18I)=Sof(C19I)=Sof(C20I)=1-FVAR(4)
 Sof(C1I)=Sof(C2I)=Sof(C3I)=Sof(C4I)=Sof(C5I)=Sof(C6I)=Sof(C7I)=Sof(C8I)=
 Sof(C9I)=Sof(C10I)=FVAR(4)
5.a :
 C11I(C12I,C13I,C14I,C15I), C1K(C2K,C3K,C4K,C5K,C6K,C7K,C8K,C9K,C10K,C11K,C12K,
 C13K,C14K,C15K,C16K,C17K,C18K,C19K,C20K)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.68312(3) 0.18252(2) 0.74329(2) 0.06192(13) Uani 1 1 d . . . . .
Rh2 Rh 0.66195(2) 0.31619(2) 0.83653(2) 0.05140(10) Uani 1 1 d . . . . .
Rh3 Rh 0.05992(2) 0.19554(3) 0.64756(2) 0.07188(15) Uani 1 1 d . . . . .
Rh4 Rh 0.18986(2) 0.34193(2) 0.56235(2) 0.06112(12) Uani 1 1 d . . . . .
Rh5 Rh 0.24357(2) 0.16651(2) 1.00795(2) 0.06139(13) Uani 1 1 d . . . . .
Rh6 Rh 0.02520(2) 0.30940(2) 0.93501(2) 0.05137(10) Uani 1 1 d . . . . .
Rh7 Rh 0.30341(2) 0.63557(2) 0.94047(2) 0.05046(10) Uani 1 1 d . . . . .
Rh8 Rh 0.44304(2) 0.77343(2) 0.85864(2) 0.06037(11) Uani 1 1 d . . . . .
Rh9 Rh -0.15188(2) 0.65061(2) 0.66530(2) 0.05562(11) Uani 1 1 d . . . . .
Rh10 Rh -0.17173(2) 0.78757(2) 0.75569(2) 0.05638(11) Uani 1 1 d . . . . .
Rh11 Rh 0.49284(2) 0.64607(3) 0.57399(2) 0.07357(13) Uani 1 1 d . . . . .
Rh12 Rh 0.27907(3) 0.79549(4) 0.50003(2) 0.0922(2) Uani 1 1 d . . . . .
K1 K 0.25594(5) 0.47390(5) 0.75429(3) 0.0490(3) Uani 1 1 d . . . . .
K2 K 0.35350(8) 0.06481(7) 0.81601(5) 0.0775(4) Uani 1 1 d . . . . .
N1 N 0.6774(3) 0.1735(2) 0.80041(14) 0.0592(14) Uani 1 1 d . . . . .
N2 N 0.6568(2) 0.2713(2) 0.74226(13) 0.0543(12) Uani 1 1 d . . . . .
N3 N 0.6538(2) 0.3252(2) 0.78032(13) 0.0519(12) Uani 1 1 d . . . . .
N4 N 0.6658(2) 0.2291(2) 0.83737(13) 0.0533(12) Uani 1 1 d . . . . .
N5 N 0.0587(3) 0.2845(3) 0.6290(2) 0.081(2) Uani 1 1 d . . . . .
N6 N 0.1475(3) 0.1917(2) 0.62456(17) 0.0718(15) Uani 1 1 d . . . . .
N7 N 0.2038(3) 0.2526(3) 0.59258(15) 0.0637(14) Uani 1 1 d . . . . .
N8 N 0.1090(2) 0.3444(3) 0.59208(17) 0.0671(16) Uani 1 1 d . . . . .
N9 N 0.2021(2) 0.2547(2) 0.98540(14) 0.0575(13) Uani 1 1 d . . . . .
N10 N 0.1641(3) 0.1625(3) 0.97821(16) 0.0674(16) Uani 1 1 d . . . . .
N11 N 0.0771(2) 0.2221(2) 0.94543(14) 0.0544(12) Uani 1 1 d . . . . .
N12 N 0.1111(2) 0.3141(2) 0.95780(14) 0.0514(11) Uani 1 1 d . . . . .
N13 N 0.3909(2) 0.6274(2) 0.91524(12) 0.0496(11) Uani 1 1 d . . . . .
N14 N 0.2914(2) 0.7212(2) 0.90390(14) 0.0549(12) Uani 1 1 d . . . . .
N15 N 0.3486(3) 0.7776(2) 0.87199(16) 0.0605(13) Uani 1 1 d . . . . .
N16 N 0.4452(2) 0.6846(2) 0.88144(14) 0.0544(12) Uani 1 1 d . . . . .
N17 N -0.1463(2) 0.6426(2) 0.72103(14) 0.0556(13) Uani 1 1 d . . . . .
N18 N -0.1428(2) 0.7351(2) 0.66411(15) 0.0602(14) Uani 1 1 d . . . . .
N19 N -0.1524(3) 0.7910(2) 0.70122(17) 0.0648(15) Uani 1 1 d . . . . .
N20 N -0.1546(3) 0.6987(3) 0.75810(14) 0.0613(14) Uani 1 1 d . . . . .
N21 N 0.4091(3) 0.6441(3) 0.54823(17) 0.0767(17) Uani 1 1 d . . . . .
N22 N 0.4374(3) 0.7303(3) 0.56863(18) 0.0791(17) Uani 1 1 d . . . . .
N23 N 0.3512(3) 0.7921(3) 0.53826(18) 0.0779(17) Uani 1 1 d . . . . .
N24 N 0.3222(3) 0.7031(3) 0.51787(17) 0.0823(18) Uani 1 1 d . . . . .
N25 N 0.5644(2) 0.3380(2) 0.83615(13) 0.0526(12) Uani 1 1 d . . . . .
N26 N 0.3418(2) 0.3653(3) 0.86351(15) 0.0601(14) Uani 1 1 d . . . . .
N27 N 0.1614(3) 0.1815(4) 0.82447(19) 0.0938(19) Uani 1 1 d . . . . .
N28 N 0.1031(3) 0.1888(3) 0.69705(15) 0.0648(14) Uani 1 1 d . . . . .
N29 N 0.2364(2) 0.3593(2) 0.60397(15) 0.0633(13) Uani 1 1 d . . . . .
N30 N 0.3868(3) 0.3805(3) 0.69177(14) 0.0679(14) Uani 1 1 d . . . . .
N31 N 0.4472(3) 0.1739(3) 0.86852(17) 0.0743(17) Uani 1 1 d . . . . .
N32 N 0.2934(3) 0.1645(2) 0.96251(14) 0.0576(13) Uani 1 1 d . . . . .
N33 N 0.0591(2) 0.3356(2) 0.88323(14) 0.0566(12) Uani 1 1 d . . . . .
N34 N 0.1095(3) 0.3758(3) 0.75481(15) 0.0703(16) Uani 1 1 d . . . . .
N35 N 0.3701(3) 0.1886(4) 0.70402(18) 0.088(2) Uani 1 1 d . . . . .
N36 N 0.5894(3) 0.1795(2) 0.73972(14) 0.0642(15) Uani 1 1 d . . . . .
N37 N 0.4179(2) 0.7671(2) 0.80760(16) 0.0598(13) Uani 1 1 d . . . . .
N38 N 0.3274(3) 0.7783(3) 0.68561(18) 0.0753(17) Uani 1 1 d . . . . .
N39 N 0.1699(2) 0.5809(3) 0.64449(15) 0.0671(16) Uani 1 1 d . . . . .
N40 N -0.0540(2) 0.6192(3) 0.66838(14) 0.0612(14) Uani 1 1 d . . . . .
N41 N -0.0776(2) 0.7775(2) 0.76827(15) 0.0606(14) Uani 1 1 d . . . . .
N42 N 0.1461(3) 0.7748(3) 0.78704(18) 0.0692(16) Uani 1 1 d . . . . .
N43 N 0.4063(2) 0.5697(3) 0.75319(14) 0.0594(13) Uani 1 1 d . . . . .
N44 N 0.4572(3) 0.6139(3) 0.62446(15) 0.0752(15) Uani 1 1 d . . . . .
N45 N 0.2194(3) 0.7855(4) 0.5411(2) 0.091(2) Uani 1 1 d . . . . .
N46 N 0.0801(3) 0.7834(3) 0.64372(19) 0.0793(17) Uani 1 1 d . . . . .
N47 N 0.1253(2) 0.5700(2) 0.81513(13) 0.0576(12) Uani 1 1 d . . . . .
N48 N 0.2663(2) 0.6075(2) 0.90074(13) 0.0542(12) Uani 1 1 d . . . . .
O1 O 0.3414(2) 0.4126(2) 0.80574(13) 0.0666(13) Uani 1 1 d . . . . .
O2 O 0.2475(3) 0.1369(3) 0.80345(18) 0.0961(19) Uani 1 1 d . . . . .
O3 O 0.2933(2) 0.4205(2) 0.70625(13) 0.0794(12) Uani 1 1 d . . . . .
O4 O 0.3779(3) 0.1320(2) 0.85171(15) 0.0857(14) Uani 1 1 d . . . . .
O5 O 0.1705(2) 0.4181(2) 0.77922(13) 0.0689(12) Uani 1 1 d . . . . .
O6 O 0.3876(3) 0.1354(3) 0.76212(17) 0.0949(19) Uani 1 1 d . . . . .
O7 O 0.4278(2) 0.7430(3) 0.68653(15) 0.0791(15) Uani 1 1 d . . . . .
O8 O 0.1681(2) 0.5347(3) 0.70286(14) 0.0734(15) Uani 1 1 d . . . . .
O9 O 0.1146(2) 0.7427(2) 0.84133(14) 0.0725(14) Uani 1 1 d . . . . .
O10 O 0.3451(2) 0.5281(2) 0.72805(13) 0.0654(12) Uani 1 1 d . . . . .
O11 O 0.0333(3) 0.7544(3) 0.60437(17) 0.0899(18) Uani 1 1 d . . . . .
O12 O 0.2209(2) 0.5276(2) 0.80390(12) 0.0628(11) Uani 1 1 d . . . . .
O13 O 0.3213(7) -0.0250(7) 0.7906(3) 0.190(5) Uani 1 1 d . . . . .
O14 O 0.3438(7) -0.0529(5) 0.7420(4) 0.182(5) Uani 1 1 d . . . . .
O15 O 0.2974(7) 0.0458(4) 0.7351(5) 0.207(6) Uani 1 1 d D . . . .
O16 O 0.4070(4) 0.3052(4) 0.99743(17) 0.105(2) Uani 1 1 d . . . . .
O17 O 0.3965(3) 0.3076(3) 0.93562(14) 0.0804(15) Uani 1 1 d . . . . .
O18 O 0.4971(3) 0.2836(3) 0.9639(3) 0.112(3) Uani 1 1 d . . . . .
O19 O 1.0297(3) 0.6054(3) 0.8590(2) 0.096(2) Uani 1 1 d . . . . .
O20 O 1.0443(5) 0.5075(3) 0.8876(2) 0.128(3) Uani 1 1 d . . . . .
O21 O 0.9515(4) 0.5658(5) 0.8933(2) 0.133(3) Uani 1 1 d . . . . .
O22 O 0.5196(2) 0.6053(2) 0.75828(19) 0.0859(16) Uani 1 1 d . . . . .
O23 O 0.5951(4) 0.6170(6) 0.7151(2) 0.147(4) Uani 1 1 d . . . . .
O24 O 0.6145(6) 0.5319(4) 0.7592(3) 0.191(4) Uani 1 1 d . . . . .
C1A C 0.7587(4) 0.1106(3) 0.7474(2) 0.076(2) Uani 1 1 d . . . . .
C2A C 0.7163(5) 0.1138(4) 0.7208(2) 0.084(2) Uani 1 1 d . . . . .
C3A C 0.7099(6) 0.1675(4) 0.6944(2) 0.101(3) Uani 1 1 d . . . . .
C4A C 0.7498(5) 0.1958(5) 0.7053(3) 0.104(3) Uani 1 1 d . . . . .
C5A C 0.7798(4) 0.1627(4) 0.7397(2) 0.087(2) Uani 1 1 d . . . . .
C6A C 0.7794(5) 0.0603(4) 0.7813(3) 0.092(3) Uani 1 1 d . . . . .
C7A C 0.6816(5) 0.0696(4) 0.7185(3) 0.097(3) Uani 1 1 d . . . . .
C8A C 0.6716(9) 0.1890(8) 0.6593(3) 0.163(7) Uani 1 1 d . . . . .
C9A C 0.7614(6) 0.2518(6) 0.6833(3) 0.127(4) Uani 1 1 d . . . . .
C10A C 0.8255(5) 0.1718(6) 0.7621(4) 0.117(4) Uani 1 1 d . . . . .
C1B C 0.6766(4) 0.3853(3) 0.8550(2) 0.0793(19) Uani 1 1 d . . . . .
C2B C 0.6821(4) 0.3336(4) 0.88476(19) 0.084(2) Uani 1 1 d . . . . .
C3B C 0.7316(3) 0.2933(4) 0.87947(18) 0.0722(19) Uani 1 1 d . . . . .
C4B C 0.7550(3) 0.3155(3) 0.84577(19) 0.0628(17) Uani 1 1 d . . . . .
C5B C 0.7222(4) 0.3745(3) 0.8316(2) 0.0758(19) Uani 1 1 d . . . . .
C6B C 0.6344(5) 0.4438(4) 0.8490(3) 0.118(3) Uani 1 1 d . . . . .
C7B C 0.6430(5) 0.3315(7) 0.9153(3) 0.136(4) Uani 1 1 d . . . . .
C8B C 0.7569(4) 0.2337(6) 0.9032(3) 0.123(4) Uani 1 1 d . . . . .
C9B C 0.8059(3) 0.2870(5) 0.8277(3) 0.090(3) Uani 1 1 d . . . . .
C10B C 0.7339(4) 0.4138(4) 0.7995(3) 0.104(3) Uani 1 1 d . . . . .
C1C C -0.0209(4) 0.1697(5) 0.6654(4) 0.115(4) Uani 1 1 d . . . . .
C2C C -0.0335(4) 0.2068(6) 0.6287(4) 0.134(4) Uani 1 1 d . . . . .
C3C C 0.0030(5) 0.1817(4) 0.6103(3) 0.118(3) Uani 1 1 d . . . . .
C4C C 0.0405(5) 0.1297(5) 0.6273(3) 0.120(3) Uani 1 1 d . . . . .
C5C C 0.0215(5) 0.1221(4) 0.6672(3) 0.108(3) Uani 1 1 d . . . . .
C6C C -0.0556(7) 0.1854(8) 0.6953(7) 0.214(7) Uani 1 1 d . . . . .
C7C C -0.0785(7) 0.2608(10) 0.6244(12) 0.31(2) Uani 1 1 d . . . . .
C8C C 0.0079(9) 0.2044(9) 0.5692(4) 0.187(6) Uani 1 1 d . . . . .
C9C C 0.0828(9) 0.0876(6) 0.6163(5) 0.173(6) Uani 1 1 d . . . . .
C10C C 0.0493(7) 0.0694(7) 0.6974(5) 0.172(6) Uani 1 1 d . . . . .
C1D C 0.2505(4) 0.3664(5) 0.5214(2) 0.087(3) Uani 1 1 d . . . . .
C2D C 0.2228(5) 0.3261(5) 0.5148(2) 0.093(3) Uani 1 1 d . . . . .
C3D C 0.1599(4) 0.3420(4) 0.5115(2) 0.081(2) Uani 1 1 d . . . . .
C4D C 0.1437(4) 0.4003(4) 0.5136(2) 0.080(2) Uani 1 1 d . . . . .
C5D C 0.1983(4) 0.4124(4) 0.5199(3) 0.091(3) Uani 1 1 d . . . . .
C6D C 0.3158(5) 0.3676(6) 0.5266(4) 0.120(4) Uani 1 1 d . . . . .
C7D C 0.2597(7) 0.2703(7) 0.5114(3) 0.128(5) Uani 1 1 d . . . . .
C8D C 0.1124(5) 0.3114(5) 0.5060(3) 0.117(3) Uani 1 1 d . . . . .
C9D C 0.0775(5) 0.4359(8) 0.5090(4) 0.135(6) Uani 1 1 d . . . . .
C10D C 0.2079(7) 0.4672(6) 0.5235(4) 0.129(5) Uani 1 1 d . . . . .
C1E C 0.2519(4) 0.0898(4) 1.0515(2) 0.075(2) Uani 1 1 d . . . . .
C2E C 0.3095(4) 0.0997(4) 1.0445(2) 0.073(2) Uani 1 1 d . . . . .
C3E C 0.3138(4) 0.1523(4) 1.0484(2) 0.085(3) Uani 1 1 d . . . . .
C4E C 0.2574(6) 0.1763(5) 1.0602(2) 0.104(4) Uani 1 1 d . . . . .
C5E C 0.2161(6) 0.1389(6) 1.0607(2) 0.120(4) Uani 1 1 d . . . . .
C6E C 0.2290(5) 0.0385(5) 1.0510(4) 0.118(4) Uani 1 1 d . . . . .
C7E C 0.3614(4) 0.0588(4) 1.0342(3) 0.085(3) Uani 1 1 d . . . . .
C8E C 0.3707(7) 0.1773(7) 1.0454(3) 0.134(4) Uani 1 1 d . . . . .
C9E C 0.2398(11) 0.2313(6) 1.0694(3) 0.171(7) Uani 1 1 d . . . . .
C10E C 0.1548(7) 0.1468(9) 1.0723(3) 0.183(8) Uani 1 1 d . . . . .
C1F C -0.0545(3) 0.2833(3) 0.9571(2) 0.0710(19) Uani 1 1 d . . . . .
C2F C -0.0287(3) 0.3133(3) 0.97870(18) 0.0655(17) Uani 1 1 d . . . . .
C3F C -0.0340(3) 0.3696(3) 0.9567(2) 0.0712(19) Uani 1 1 d . . . . .
C4F C -0.0583(3) 0.3749(4) 0.9220(2) 0.080(3) Uani 1 1 d . . . . .
C5F C -0.0698(3) 0.3196(4) 0.9237(2) 0.079(2) Uani 1 1 d . . . . .
C6F C -0.0619(4) 0.2226(4) 0.9712(4) 0.108(4) Uani 1 1 d . . . . .
C7F C -0.0038(4) 0.2910(5) 1.0167(2) 0.087(3) Uani 1 1 d . . . . .
C8F C -0.0184(4) 0.4180(4) 0.9673(3) 0.092(3) Uani 1 1 d . . . . .
C9F C -0.0723(4) 0.4264(6) 0.8904(3) 0.120(4) Uani 1 1 d . . . . .
C10F C -0.0978(4) 0.3048(6) 0.8930(3) 0.117(4) Uani 1 1 d . . . . .
C1G C 0.2644(3) 0.5825(4) 0.98370(18) 0.0704(19) Uani 1 1 d . . . . .
C2G C 0.3281(3) 0.5726(3) 0.99149(17) 0.0656(18) Uani 1 1 d . . . . .
C3G C 0.3406(3) 0.6268(4) 0.99222(16) 0.0681(18) Uani 1 1 d . . . . .
C4G C 0.2851(4) 0.6674(3) 0.98599(18) 0.075(2) Uani 1 1 d . . . . .
C5G C 0.2366(3) 0.6414(4) 0.97891(18) 0.0691(19) Uani 1 1 d . . . . .
C6G C 0.2326(5) 0.5382(5) 0.9810(3) 0.109(3) Uani 1 1 d . . . . .
C7G C 0.3745(5) 0.5174(5) 1.0003(2) 0.103(4) Uani 1 1 d . . . . .
C8G C 0.4022(3) 0.6346(4) 0.9997(2) 0.086(2) Uani 1 1 d . . . . .
C9G C 0.2740(8) 0.7283(5) 0.9852(3) 0.119(4) Uani 1 1 d . . . . .
C10G C 0.1680(4) 0.6634(6) 0.9725(3) 0.108(4) Uani 1 1 d . . . . .
C1H C 0.5260(4) 0.7686(4) 0.8893(3) 0.088(2) Uani 1 1 d . . . . .
C2H C 0.5315(3) 0.7906(3) 0.8517(3) 0.083(2) Uani 1 1 d . . . . .
C3H C 0.4827(4) 0.8455(3) 0.8388(3) 0.092(3) Uani 1 1 d . . . . .
C4H C 0.4509(4) 0.8501(3) 0.8696(3) 0.092(2) Uani 1 1 d . . . . .
C5H C 0.4758(4) 0.8042(3) 0.8990(2) 0.0734(18) Uani 1 1 d . . . . .
C6H C 0.5670(5) 0.7174(5) 0.9122(3) 0.111(3) Uani 1 1 d . . . . .
C7H C 0.5804(4) 0.7697(5) 0.8307(3) 0.112(3) Uani 1 1 d . . . . .
C8H C 0.4733(5) 0.8849(4) 0.8028(4) 0.121(4) Uani 1 1 d . . . . .
C9H C 0.4022(5) 0.8988(4) 0.8710(3) 0.108(3) Uani 1 1 d . . . . .
C10H C 0.4547(6) 0.7944(5) 0.9371(3) 0.117(3) Uani 1 1 d . . . . .
C1I C -0.1709(4) 0.6248(4) 0.6190(2) 0.0571(19) Uani 0.772(7) 1 d . . P A 1
C2I C -0.1812(4) 0.5854(4) 0.6503(2) 0.068(2) Uani 0.772(7) 1 d . . P A 1
C3I C -0.2279(4) 0.6086(4) 0.6687(3) 0.068(2) Uani 0.772(7) 1 d . . P A 1
C4I C -0.2474(3) 0.6679(5) 0.6500(3) 0.083(3) Uani 0.772(7) 1 d . . P A 1
C5I C -0.2110(4) 0.6779(5) 0.6172(3) 0.075(2) Uani 0.772(7) 1 d . . P A 1
C6I C -0.1278(6) 0.6147(6) 0.5922(3) 0.092(3) Uani 0.772(7) 1 d . . P A 1
C7I C -0.1434(8) 0.5217(6) 0.6622(4) 0.113(4) Uani 0.772(7) 1 d . . P A 1
C8I C -0.2493(6) 0.5697(6) 0.7019(4) 0.099(4) Uani 0.772(7) 1 d . . P A 1
C9I C -0.2938(5) 0.7048(8) 0.6643(4) 0.127(5) Uani 0.772(7) 1 d . . P A 1
C10I C -0.2164(8) 0.7295(7) 0.5867(4) 0.127(5) Uani 0.772(7) 1 d . . P A 1
C11I C -0.1805(6) 0.6475(4) 0.6123(3) 0.059(7) Uiso 0.228(7) 1 d D . P A 2
C12I C -0.2241(8) 0.6778(5) 0.6295(4) 0.094(12) Uiso 0.228(7) 1 d DG . P A 2
C13I C -0.2343(11) 0.6395(7) 0.6616(5) 0.067(8) Uiso 0.228(7) 1 d DG . P A 2
C14I C -0.1970(12) 0.5854(6) 0.6642(5) 0.120(16) Uiso 0.228(7) 1 d DG . P A 2
C15I C -0.1638(9) 0.5903(5) 0.6337(4) 0.110(15) Uiso 0.228(7) 1 d DG . P A 2
C16I C -0.1421(10) 0.6585(9) 0.5809(5) 0.108(14) Uiso 0.228(7) 1 d D . P A 2
C17I C -0.2501(11) 0.7371(6) 0.6097(5) 0.085(8) Uiso 0.228(7) 1 d D . P A 2
C18I C -0.2685(11) 0.6294(8) 0.6932(4) 0.106(12) Uiso 0.228(7) 1 d D . P A 2
C19I C -0.1930(11) 0.5218(6) 0.6832(6) 0.094(10) Uiso 0.228(7) 1 d D . P A 2
C20I C -0.1102(10) 0.5388(7) 0.6301(7) 0.147(18) Uiso 0.228(7) 1 d D . P A 2
C1J C -0.2022(4) 0.8346(4) 0.7935(2) 0.085(2) Uani 1 1 d . . . . .
C2J C -0.2162(4) 0.8702(4) 0.7577(3) 0.091(3) Uani 1 1 d . . . . .
C3J C -0.2583(4) 0.8502(5) 0.7396(3) 0.097(3) Uani 1 1 d . . . . .
C4J C -0.2676(3) 0.8004(4) 0.7648(3) 0.088(2) Uani 1 1 d . . . . .
C5J C -0.2334(4) 0.7886(4) 0.7974(2) 0.086(2) Uani 1 1 d . . . . .
C6J C -0.1630(6) 0.8451(6) 0.8199(3) 0.122(4) Uani 1 1 d . . . . .
C7J C -0.1928(9) 0.9273(6) 0.7432(4) 0.160(6) Uani 1 1 d . . . . .
C8J C -0.2878(7) 0.8747(9) 0.7029(4) 0.163(7) Uani 1 1 d . . . . .
C9J C -0.3102(5) 0.7669(5) 0.7564(3) 0.115(3) Uani 1 1 d . . . . .
C10J C -0.2382(7) 0.7436(6) 0.8303(3) 0.130(5) Uani 1 1 d . . . . .
C1K C 0.56373(17) 0.6710(2) 0.54168(12) 0.085(4) Uani 0.530(9) 1 d . . P B 1
C2K C 0.5873(2) 0.6527(3) 0.57732(14) 0.085(5) Uani 0.530(9) 1 d G . P B 1
C3K C 0.5875(3) 0.5946(3) 0.59151(17) 0.102(6) Uani 0.530(9) 1 d G . P B 1
C4K C 0.5641(3) 0.5771(3) 0.56463(19) 0.095(5) Uani 0.530(9) 1 d G . P B 1
C5K C 0.5494(2) 0.6244(3) 0.53384(15) 0.100(5) Uani 0.530(9) 1 d G . P B 1
C6K C 0.5554(3) 0.7299(3) 0.51655(19) 0.148(9) Uani 0.530(9) 1 d G . P B 1
C7K C 0.6084(4) 0.6885(4) 0.5967(2) 0.149(8) Uani 0.530(9) 1 d G . P B 1
C8K C 0.6089(4) 0.5579(5) 0.6286(2) 0.183(19) Uani 0.530(9) 1 d G . P B 1
C9K C 0.5562(5) 0.5186(4) 0.5682(3) 0.207(17) Uani 0.530(9) 1 d G . P B 1
C10K C 0.5231(4) 0.6249(4) 0.4989(2) 0.119(7) Uani 0.530(9) 1 d G . P B 1
C11K C 0.55451(18) 0.6695(2) 0.53254(12) 0.093(6) Uani 0.470(9) 1 d G . P B 2
C12K C 0.5753(2) 0.6774(2) 0.56393(15) 0.084(5) Uani 0.470(9) 1 d G . P B 2
C13K C 0.5871(3) 0.6245(3) 0.59068(15) 0.079(5) Uani 0.470(9) 1 d G . P B 2
C14K C 0.5736(3) 0.5839(3) 0.57581(18) 0.076(5) Uani 0.470(9) 1 d G . P B 2
C15K C 0.5535(2) 0.6118(3) 0.53988(16) 0.084(6) Uani 0.470(9) 1 d G . P B 2
C16K C 0.5366(3) 0.7146(4) 0.49753(18) 0.123(10) Uani 0.470(9) 1 d G . P B 2
C17K C 0.5834(4) 0.7323(3) 0.5682(2) 0.153(12) Uani 0.470(9) 1 d G . P B 2
C18K C 0.6100(4) 0.6133(5) 0.6283(2) 0.113(7) Uani 0.470(9) 1 d G . P B 2
C19K C 0.5796(5) 0.5222(4) 0.5948(3) 0.42(4) Uani 0.470(9) 1 d G . P B 2
C20K C 0.5343(4) 0.5847(4) 0.5140(2) 0.189(17) Uani 0.470(9) 1 d G . P B 2
C1L C 0.2948(8) 0.8684(7) 0.4612(3) 0.143(5) Uani 1 1 d . . . . .
C2L C 0.3093(5) 0.8235(6) 0.4486(3) 0.106(4) Uani 1 1 d . . . . .
C3L C 0.2511(8) 0.8031(6) 0.4468(3) 0.129(5) Uani 1 1 d . . . . .
C4L C 0.2063(7) 0.8425(10) 0.4589(4) 0.166(8) Uani 1 1 d . . . . .
C5L C 0.2346(10) 0.8758(9) 0.4650(5) 0.174(8) Uani 1 1 d . . . . .
C6L C 0.3411(14) 0.9010(10) 0.4598(8) 0.230(10) Uani 1 1 d . . . . .
C7L C 0.3729(13) 0.7981(15) 0.4349(6) 0.232(14) Uani 1 1 d . . . . .
C8L C 0.2397(15) 0.7501(12) 0.4356(6) 0.254(11) Uani 1 1 d . . . . .
C9L C 0.1474(11) 0.8320(15) 0.4619(9) 0.263(17) Uani 1 1 d . . . . .
C10L C 0.215(3) 0.9237(13) 0.4776(6) 0.40(3) Uani 1 1 d . . . . .
C1 C 0.6733(3) 0.2241(3) 0.80488(16) 0.0525(14) Uani 1 1 d . . . . .
C2 C 0.6652(3) 0.2730(3) 0.77570(15) 0.0520(14) Uani 1 1 d . . . . .
C3 C 0.6368(3) 0.3279(3) 0.72294(17) 0.0602(16) Uani 1 1 d . . . . .
C4 C 0.6155(5) 0.3508(4) 0.6875(2) 0.090(3) Uani 1 1 d . . . . .
C5 C 0.5901(5) 0.4079(4) 0.6754(2) 0.088(3) Uani 1 1 d . . . . .
C6 C 0.5899(5) 0.4424(3) 0.6987(3) 0.087(3) Uani 1 1 d . . . . .
C7 C 0.6123(4) 0.4194(3) 0.7341(2) 0.074(2) Uani 1 1 d . . . . .
C8 C 0.6342(3) 0.3611(3) 0.74631(17) 0.0565(15) Uani 1 1 d . . . . .
C9 C 0.6632(3) 0.1743(3) 0.85750(17) 0.0596(16) Uani 1 1 d . . . . .
C10 C 0.6524(4) 0.1529(4) 0.89268(19) 0.074(2) Uani 1 1 d . . . . .
C11 C 0.6495(5) 0.0974(3) 0.9049(2) 0.081(3) Uani 1 1 d . . . . .
C12 C 0.6592(4) 0.0611(3) 0.8810(2) 0.076(2) Uani 1 1 d . . . . .
C13 C 0.6671(4) 0.0825(3) 0.8464(2) 0.071(2) Uani 1 1 d . . . . .
C14 C 0.6708(4) 0.1401(3) 0.83307(18) 0.0653(18) Uani 1 1 d . . . . .
C15 C 0.1043(3) 0.2911(3) 0.6081(2) 0.0645(17) Uani 1 1 d . . . . .
C16 C 0.1506(3) 0.2460(3) 0.60620(18) 0.0607(16) Uani 1 1 d . . . . .
C17 C 0.2057(4) 0.1601(3) 0.6228(2) 0.075(2) Uani 1 1 d . . . . .
C18 C 0.2323(7) 0.1019(5) 0.6391(4) 0.119(4) Uani 1 1 d . . . . .
C19 C 0.2955(6) 0.0839(5) 0.6310(4) 0.123(5) Uani 1 1 d . . . . .
C20 C 0.3261(7) 0.1180(7) 0.6137(4) 0.131(5) Uani 1 1 d . . . . .
C21 C 0.3027(5) 0.1784(4) 0.5976(3) 0.098(3) Uani 1 1 d . . . . .
C22 C 0.2412(4) 0.1962(4) 0.6031(2) 0.078(2) Uani 1 1 d . . . . .
C23 C 0.0616(4) 0.3799(4) 0.6061(3) 0.095(3) Uani 0.585(13) 1 d . . P C 3
C24 C 0.0418(9) 0.4348(8) 0.5952(8) 0.135(9) Uani 0.585(13) 1 d . . P C 3
C25 C -0.0140(12) 0.4554(7) 0.6119(10) 0.236(12) Uani 0.585(13) 1 d . . P C 3
C26 C -0.0559(18) 0.417(2) 0.6521(16) 0.24(2) Uani 0.585(13) 1 d . . P C 3
C27 C -0.0195(9) 0.3591(8) 0.6430(6) 0.131(6) Uani 0.585(13) 1 d . . P C 3
C28 C 0.0282(6) 0.3405(8) 0.6245(5) 0.112(6) Uani 0.585(13) 1 d . . P C 3
C23' C 0.0616(4) 0.3799(4) 0.6061(3) 0.095(3) Uani 0.415(13) 1 d . . P C 4
C24' C 0.0496(8) 0.4348(9) 0.6089(6) 0.076(6) Uani 0.415(13) 1 d . . P C 4
C25' C 0.0081(15) 0.4556(13) 0.6279(9) 0.210(13) Uani 0.415(13) 1 d . . P C 4
C26' C -0.0267(8) 0.4174(10) 0.6470(6) 0.099(7) Uani 0.415(13) 1 d . . P C 4
C27' C -0.0105(10) 0.3627(10) 0.6566(4) 0.081(6) Uani 0.415(13) 1 d . . P C 4
C28' C 0.0275(13) 0.3449(11) 0.6373(7) 0.113(9) Uani 0.415(13) 1 d . . P C 4
C29 C 0.1453(3) 0.2610(3) 0.97191(15) 0.0527(14) Uani 1 1 d . . . . .
C30 C 0.1275(3) 0.2123(2) 0.96729(17) 0.0532(14) Uani 1 1 d . . . . .
C31 C 0.1352(4) 0.1311(3) 0.9614(2) 0.0688(19) Uani 1 1 d . . . . .
C32 C 0.1525(4) 0.0738(3) 0.9615(3) 0.089(2) Uani 1 1 d . . . . .
C33 C 0.1175(5) 0.0564(4) 0.9407(4) 0.101(3) Uani 1 1 d . . . . .
C34 C 0.0663(5) 0.0917(4) 0.9218(3) 0.102(3) Uani 1 1 d . . . . .
C35 C 0.0443(4) 0.1503(4) 0.9200(2) 0.092(2) Uani 1 1 d . . . . .
C36 C 0.0813(4) 0.1681(3) 0.94088(19) 0.0692(17) Uani 1 1 d . . . . .
C37 C 0.1494(3) 0.3480(3) 0.96203(19) 0.0607(15) Uani 1 1 d . . . . .
C38 C 0.1438(4) 0.4064(3) 0.9509(3) 0.077(2) Uani 1 1 d . . . . .
C39 C 0.1911(5) 0.4272(3) 0.9553(4) 0.122(4) Uani 1 1 d . . . . .
C40 C 0.2486(4) 0.3919(4) 0.9724(4) 0.135(4) Uani 1 1 d . . . . .
C41 C 0.2568(4) 0.3329(4) 0.9841(3) 0.091(2) Uani 1 1 d . . . . .
C42 C 0.2058(3) 0.3111(3) 0.9792(2) 0.0656(17) Uani 1 1 d . . . . .
C43 C 0.3952(3) 0.6787(3) 0.89760(17) 0.0565(14) Uani 1 1 d . . . . .
C44 C 0.3447(3) 0.7272(2) 0.89240(16) 0.0543(13) Uani 1 1 d . . . . .
C45 C 0.2532(3) 0.7743(3) 0.89020(19) 0.0605(15) Uani 1 1 d . . . . .
C46 C 0.1894(3) 0.7946(3) 0.8918(2) 0.075(2) Uani 1 1 d . . . . .
C47 C 0.1642(4) 0.8510(4) 0.8722(3) 0.091(3) Uani 1 1 d . . . . .
C48 C 0.1999(4) 0.8858(4) 0.8512(3) 0.097(3) Uani 1 1 d . . . . .
C49 C 0.2609(4) 0.8654(3) 0.8519(3) 0.079(2) Uani 1 1 d . . . . .
C50 C 0.2881(3) 0.8106(3) 0.8702(2) 0.0646(17) Uani 1 1 d . . . . .
C51 C 0.4813(2) 0.6289(2) 0.88983(16) 0.0503(13) Uani 1 1 d . . . . .
C52 C 0.5389(3) 0.6062(3) 0.8806(2) 0.0674(18) Uani 1 1 d . . . . .
C53 C 0.5613(3) 0.5478(4) 0.8931(2) 0.073(2) Uani 1 1 d . . . . .
C54 C 0.5264(3) 0.5130(3) 0.9132(2) 0.0685(19) Uani 1 1 d . . . . .
C55 C 0.4683(3) 0.5341(3) 0.92263(19) 0.0620(17) Uani 1 1 d . . . . .
C56 C 0.4450(2) 0.5935(3) 0.91100(15) 0.0510(13) Uani 1 1 d . . . . .
C21I C -0.1532(3) 0.6926(3) 0.72573(16) 0.0529(14) Uani 1 1 d . . . . .
C58 C -0.1519(3) 0.7418(3) 0.69617(16) 0.0524(14) Uani 1 1 d . . . . .
C59 C -0.1349(3) 0.7887(3) 0.64499(18) 0.0647(17) Uani 1 1 d . . . . .
C60 C -0.1219(4) 0.8074(4) 0.6090(2) 0.085(2) Uani 1 1 d . . . . .
C61 C -0.1131(5) 0.8640(4) 0.5974(3) 0.104(3) Uani 1 1 d . . . . .
C62 C -0.1218(7) 0.8994(5) 0.6216(3) 0.113(4) Uani 1 1 d . . . . .
C63 C -0.1355(5) 0.8784(4) 0.6551(3) 0.094(3) Uani 1 1 d . . . . .
C64 C -0.1414(3) 0.8232(3) 0.6676(2) 0.0667(19) Uani 1 1 d . . . . .
C65 C -0.1469(4) 0.6427(3) 0.77845(18) 0.0639(17) Uani 1 1 d . . . . .
C66 C -0.1427(5) 0.6172(4) 0.8151(2) 0.085(3) Uani 1 1 d . . . . .
C67 C -0.1390(6) 0.5594(4) 0.8277(3) 0.101(3) Uani 1 1 d . . . . .
C68 C -0.1347(6) 0.5250(4) 0.8045(3) 0.099(3) Uani 1 1 d . . . . .
C69 C -0.1379(4) 0.5480(3) 0.7682(2) 0.078(2) Uani 1 1 d . . . . .
C70 C -0.1435(3) 0.6073(3) 0.75567(19) 0.0643(18) Uani 1 1 d . . . . .
C71 C 0.3752(3) 0.6949(4) 0.5367(2) 0.0757(19) Uani 1 1 d . . . . .
C72 C 0.3890(3) 0.7390(4) 0.5468(2) 0.079(2) Uani 1 1 d . . . . .
C73 C 0.4308(4) 0.7822(5) 0.5759(2) 0.095(2) Uani 1 1 d . . . . .
C74 C 0.4657(5) 0.7994(4) 0.5984(3) 0.099(3) Uani 1 1 d . . . . .
C75 C 0.4478(6) 0.8521(5) 0.6012(4) 0.116(4) Uani 1 1 d . . . . .
C76 C 0.3906(8) 0.8933(5) 0.5821(4) 0.134(5) Uani 1 1 d . . . . .
C77 C 0.3555(5) 0.8772(5) 0.5583(3) 0.101(3) Uani 1 1 d . . . . .
C78 C 0.3776(4) 0.8211(4) 0.5574(2) 0.089(2) Uani 1 1 d . . . . .
C79 C 0.3222(4) 0.6502(4) 0.5155(2) 0.086(2) Uani 1 1 d . . . . .
C80 C 0.2834(5) 0.6258(5) 0.4991(3) 0.115(3) Uani 1 1 d . . . . .
C81 C 0.2985(6) 0.5717(6) 0.5013(4) 0.130(4) Uani 1 1 d . . . . .
C82 C 0.3522(7) 0.5330(6) 0.5204(4) 0.134(4) Uani 1 1 d . . . . .
C83 C 0.3891(5) 0.5532(5) 0.5384(3) 0.107(3) Uani 1 1 d . . . . .
C84 C 0.3787(4) 0.6113(4) 0.5354(2) 0.093(2) Uani 1 1 d . . . . .
C85 C 0.5319(3) 0.3848(3) 0.81411(18) 0.0573(15) Uani 1 1 d . . . . .
C86 C 0.4691(3) 0.4022(3) 0.81280(17) 0.0564(15) Uani 1 1 d . . . . .
C87 C 0.4376(3) 0.3681(3) 0.83634(16) 0.0564(14) Uani 1 1 d . . . . .
C88 C 0.4715(3) 0.3191(3) 0.86073(17) 0.0577(15) Uani 1 1 d . . . . .
C89 C 0.5347(3) 0.3042(3) 0.85933(17) 0.0567(15) Uani 1 1 d . . . . .
C90 C 0.3690(3) 0.3838(3) 0.83402(18) 0.0576(15) Uani 1 1 d . . . . .
C91 C 0.2754(3) 0.3733(3) 0.86484(19) 0.0621(16) Uani 1 1 d . . . . .
C92 C 0.2545(3) 0.3209(3) 0.86325(17) 0.0576(15) Uani 1 1 d . . . . .
C93 C 0.2700(3) 0.2968(3) 0.83561(18) 0.0650(17) Uani 1 1 d . . . . .
C94 C 0.2508(4) 0.2499(3) 0.8340(2) 0.0701(19) Uani 1 1 d . . . . .
C95 C 0.2165(4) 0.2232(3) 0.86083(19) 0.0689(18) Uani 1 1 d . . . . .
C96 C 0.2010(3) 0.2472(3) 0.88774(18) 0.0674(18) Uani 1 1 d . . . . .
C97 C 0.2205(3) 0.2952(3) 0.88944(17) 0.0643(17) Uani 1 1 d . . . . .
C98 C 0.1948(4) 0.1707(4) 0.8584(2) 0.090(2) Uani 1 1 d . . . . .
C99 C 0.1936(4) 0.1610(4) 0.7991(2) 0.078(2) Uani 1 1 d . . . . .
C100 C 0.1522(3) 0.1454(3) 0.7105(2) 0.0712(19) Uani 1 1 d . . . . .
C101 C 0.1809(4) 0.1362(3) 0.7439(2) 0.0708(18) Uani 1 1 d . . . . .
C102 C 0.1592(3) 0.1716(3) 0.7647(2) 0.0725(17) Uani 1 1 d . . . . .
C103 C 0.1064(4) 0.2156(3) 0.7508(2) 0.079(2) Uani 1 1 d . . . . .
C104 C 0.0819(4) 0.2238(4) 0.7174(2) 0.079(2) Uani 1 1 d . . . . .
C105 C 0.2903(3) 0.3276(3) 0.61842(17) 0.0627(15) Uani 1 1 d . . . . .
C106 C 0.3229(3) 0.3374(3) 0.64447(18) 0.0641(16) Uani 1 1 d . . . . .
C107 C 0.2970(3) 0.3845(3) 0.65696(17) 0.0636(14) Uani 1 1 d . . . . .
C108 C 0.2413(3) 0.4173(3) 0.64204(19) 0.0678(16) Uani 1 1 d . . . . .
C109 C 0.2116(3) 0.4041(3) 0.6152(2) 0.0690(17) Uani 1 1 d . . . . .
C110 C 0.3260(3) 0.3973(3) 0.68672(19) 0.0666(16) Uani 1 1 d . . . . .
C111 C 0.4235(3) 0.3825(3) 0.72315(19) 0.0706(16) Uani 1 1 d . . . . .
C112 C 0.4379(3) 0.3290(3) 0.75141(17) 0.0643(15) Uani 1 1 d . . . . .
C113 C 0.3926(3) 0.3011(3) 0.7679(2) 0.0677(16) Uani 1 1 d . . . . .
C114 C 0.4073(3) 0.2524(4) 0.7941(2) 0.076(2) Uani 1 1 d . . . . .
C115 C 0.4684(3) 0.2260(3) 0.80804(18) 0.0626(16) Uani 1 1 d . . . . .
C116 C 0.5130(3) 0.2527(3) 0.79326(18) 0.0666(16) Uani 1 1 d . . . . .
C117 C 0.4972(3) 0.3038(3) 0.76540(19) 0.0717(17) Uani 1 1 d . . . . .
C118 C 0.4831(3) 0.1722(4) 0.8378(2) 0.074(2) Uani 1 1 d . . . . .
C119 C 0.3975(3) 0.1528(3) 0.8733(2) 0.0688(17) Uani 1 1 d . . . . .
C120 C 0.2956(4) 0.1216(3) 0.9470(2) 0.0664(18) Uani 1 1 d . . . . .
C121 C 0.3290(3) 0.1170(3) 0.91932(19) 0.0661(17) Uani 1 1 d . . . . .
C122 C 0.3631(3) 0.1574(3) 0.90556(19) 0.0662(17) Uani 1 1 d . . . . .
C123 C 0.3618(3) 0.1995(3) 0.9209(2) 0.0709(18) Uani 1 1 d . . . . .
C124 C 0.3261(3) 0.2027(3) 0.94884(18) 0.0619(15) Uani 1 1 d . . . . .
C125 C 0.0779(3) 0.3836(3) 0.87334(17) 0.0578(15) Uani 1 1 d . . . . .
C126 C 0.1010(3) 0.4024(3) 0.84029(19) 0.0640(17) Uani 1 1 d . . . . .
C127 C 0.1022(3) 0.3718(3) 0.81686(17) 0.0579(15) Uani 1 1 d . . . . .
C128 C 0.0801(3) 0.3216(3) 0.82635(18) 0.0687(17) Uani 1 1 d . . . . .
C129 C 0.0606(3) 0.3045(3) 0.86020(18) 0.0632(15) Uani 1 1 d . . . . .
C130 C 0.1299(3) 0.3909(3) 0.78160(18) 0.0614(16) Uani 1 1 d . . . . .
C131 C 0.1362(4) 0.3855(4) 0.71937(18) 0.078(2) Uani 1 1 d . . . . .
C132 C 0.1776(3) 0.3358(3) 0.71455(17) 0.0666(17) Uani 1 1 d . . . . .
C133 C 0.2302(4) 0.3046(3) 0.73948(18) 0.0735(19) Uani 1 1 d . . . . .
C134 C 0.2680(4) 0.2582(4) 0.7353(2) 0.0759(19) Uani 1 1 d . . . . .
C135 C 0.2616(3) 0.2387(4) 0.7063(2) 0.0783(19) Uani 1 1 d . . . . .
C136 C 0.2104(3) 0.2692(4) 0.6815(2) 0.090(2) Uani 1 1 d . . . . .
C137 C 0.1706(3) 0.3132(4) 0.68701(19) 0.0758(19) Uani 1 1 d . . . . .
C138 C 0.3059(4) 0.1858(4) 0.7012(3) 0.088(2) Uani 1 1 d . . . . .
C139 C 0.4066(4) 0.1639(4) 0.7338(2) 0.081(2) Uani 1 1 d . . . . .
C140 C 0.5716(4) 0.1346(3) 0.76082(19) 0.0705(19) Uani 1 1 d . . . . .
C141 C 0.5142(4) 0.1281(4) 0.7599(2) 0.080(2) Uani 1 1 d . . . . .
C142 C 0.4689(4) 0.1702(3) 0.73406(18) 0.0726(19) Uani 1 1 d . . . . .
C143 C 0.4895(4) 0.2141(3) 0.7126(2) 0.0694(19) Uani 1 1 d . . . . .
C144 C 0.5497(4) 0.2181(3) 0.71610(19) 0.0675(18) Uani 1 1 d . . . . .
C145 C 0.4513(3) 0.7284(3) 0.7948(2) 0.0691(18) Uani 1 1 d . . . . .
C146 C 0.4403(3) 0.7261(3) 0.76040(19) 0.0617(16) Uani 1 1 d . . . . .
C147 C 0.3920(3) 0.7647(3) 0.7395(2) 0.0670(17) Uani 1 1 d . . . . .
C148 C 0.3559(3) 0.8058(3) 0.7523(2) 0.0668(18) Uani 1 1 d . . . . .
C149 C 0.3707(3) 0.8064(3) 0.7871(2) 0.0658(18) Uani 1 1 d . . . . .
C150 C 0.3837(3) 0.7618(3) 0.7016(2) 0.0663(18) Uani 1 1 d . . . . .
C151 C 0.3153(4) 0.7752(4) 0.6503(2) 0.077(2) Uani 1 1 d . . . . .
C152 C 0.2957(3) 0.7225(4) 0.64965(18) 0.071(2) Uani 1 1 d . . . . .
C153 C 0.3045(4) 0.7017(4) 0.61951(19) 0.077(2) Uani 1 1 d . . . . .
C154 C 0.2844(4) 0.6553(4) 0.6172(2) 0.079(2) Uani 1 1 d . . . . .
C155 C 0.2574(3) 0.6254(3) 0.64509(18) 0.0644(18) Uani 1 1 d . . . . .
C156 C 0.2508(3) 0.6429(3) 0.67518(19) 0.0663(17) Uani 1 1 d . . . . .
C157 C 0.2686(3) 0.6913(4) 0.6773(2) 0.073(2) Uani 1 1 d . . . . .
C158 C 0.2366(3) 0.5721(3) 0.64368(19) 0.0639(18) Uani 1 1 d . . . . .
C159 C 0.1416(3) 0.5626(3) 0.67369(16) 0.0558(15) Uani 1 1 d . . . . .
C160 C -0.0243(3) 0.5719(3) 0.69202(18) 0.0593(16) Uani 1 1 d . . . . .
C161 C 0.0392(3) 0.5512(3) 0.69478(18) 0.0609(17) Uani 1 1 d . . . . .
C162 C 0.0721(3) 0.5814(3) 0.67040(16) 0.0553(15) Uani 1 1 d . . . . .
C163 C 0.0416(3) 0.6292(3) 0.6443(2) 0.0654(18) Uani 1 1 d . . . . .
C164 C -0.0211(3) 0.6488(4) 0.64479(19) 0.0665(18) Uani 1 1 d . . . . .
C165 C -0.0514(3) 0.7358(3) 0.7990(2) 0.0685(19) Uani 1 1 d . . . . .
C166 C 0.0068(3) 0.7310(3) 0.8118(2) 0.071(2) Uani 1 1 d . . . . .
C167 C 0.0410(3) 0.7670(3) 0.79258(19) 0.0613(17) Uani 1 1 d . . . . .
C168 C 0.0144(4) 0.8085(4) 0.7621(2) 0.073(2) Uani 1 1 d . . . . .
C169 C -0.0453(3) 0.8126(3) 0.7509(2) 0.0663(18) Uani 1 1 d . . . . .
C170 C 0.1046(3) 0.7610(3) 0.8089(2) 0.0627(16) Uani 1 1 d . . . . .
C171 C 0.2102(3) 0.7687(4) 0.7981(2) 0.0727(19) Uani 1 1 d . . . . .
C172 C 0.2528(3) 0.7130(3) 0.79587(17) 0.0594(15) Uani 1 1 d . . . . .
C173 C 0.2410(3) 0.6862(4) 0.7718(2) 0.073(2) Uani 1 1 d . . . . .
C174 C 0.2807(3) 0.6359(4) 0.76944(19) 0.0698(18) Uani 1 1 d . . . . .
C175 C 0.3365(3) 0.6137(3) 0.79105(16) 0.0564(14) Uani 1 1 d . . . . .
C176 C 0.3480(3) 0.6419(3) 0.81508(17) 0.0608(16) Uani 1 1 d . . . . .
C177 C 0.3063(3) 0.6890(3) 0.81800(17) 0.0617(16) Uani 1 1 d . . . . .
C178 C 0.3782(3) 0.5601(3) 0.78803(17) 0.0630(17) Uani 1 1 d . . . . .
C179 C 0.3868(3) 0.5541(3) 0.72605(18) 0.0580(15) Uani 1 1 d . . . . .
C180 C 0.4340(3) 0.5682(3) 0.63188(19) 0.0696(18) Uani 1 1 d . . . . .
C181 C 0.4122(3) 0.5471(3) 0.66531(18) 0.0620(16) Uani 1 1 d . . . . .
C182 C 0.4145(3) 0.5738(3) 0.69142(18) 0.0605(15) Uani 1 1 d . . . . .
C183 C 0.4389(3) 0.6208(3) 0.6832(2) 0.0711(18) Uani 1 1 d . . . . .
C184 C 0.4584(4) 0.6402(4) 0.6492(2) 0.0789(19) Uani 1 1 d . . . . .
C185 C 0.1868(4) 0.7442(4) 0.5461(2) 0.089(2) Uani 1 1 d . . . . .
C186 C 0.1405(4) 0.7404(4) 0.5686(2) 0.086(2) Uani 1 1 d . . . . .
C187 C 0.1290(4) 0.7764(4) 0.5892(2) 0.082(2) Uani 1 1 d . . . . .
C188 C 0.1604(4) 0.8166(4) 0.5862(2) 0.084(2) Uani 1 1 d . . . . .
C189 C 0.2075(4) 0.8184(4) 0.5615(3) 0.088(2) Uani 1 1 d . . . . .
C190 C 0.0765(4) 0.7697(3) 0.6139(2) 0.073(2) Uani 1 1 d . . . . .
C191 C 0.0342(4) 0.7772(4) 0.6691(2) 0.078(2) Uani 1 1 d . . . . .
C192 C 0.0497(3) 0.7202(3) 0.69892(17) 0.0636(16) Uani 1 1 d . . . . .
C193 C 0.1088(3) 0.6921(4) 0.7085(2) 0.077(2) Uani 1 1 d . . . . .
C194 C 0.1228(3) 0.6399(3) 0.73679(19) 0.0652(18) Uani 1 1 d . . . . .
C195 C 0.0763(3) 0.6196(3) 0.75515(17) 0.0621(16) Uani 1 1 d . . . . .
C196 C 0.0159(3) 0.6510(3) 0.74422(18) 0.0626(16) Uani 1 1 d . . . . .
C197 C 0.0042(3) 0.6991(3) 0.7185(2) 0.0710(18) Uani 1 1 d . . . . .
C198 C 0.0921(3) 0.5644(3) 0.78491(17) 0.0622(15) Uani 1 1 d . . . . .
C199 C 0.1856(3) 0.5527(3) 0.82180(15) 0.0531(13) Uani 1 1 d . . . . .
C200 C 0.2945(3) 0.5593(3) 0.89238(16) 0.0575(15) Uani 1 1 d . . . . .
C201 C 0.2685(3) 0.5401(3) 0.86821(17) 0.0590(16) Uani 1 1 d . . . . .
C202 C 0.2127(2) 0.5704(2) 0.85059(14) 0.0480(13) Uani 1 1 d . . . . .
C203 C 0.1839(3) 0.6194(3) 0.85944(17) 0.0587(15) Uani 1 1 d . . . . .
C204 C 0.2132(3) 0.6376(3) 0.88370(17) 0.0585(15) Uani 1 1 d . . . . .
O25 O 0.5848(5) 0.9882(4) 0.8039(3) 0.124(3) Uani 1 1 d . . . . .
O26 O 0.6949(4) 0.9566(5) 0.8009(4) 0.175(5) Uani 1 1 d . . . . .
O27 O 0.6310(4) 0.9025(4) 0.78764(19) 0.115(2) Uani 1 1 d . . . . .
O28 O 0.1140(4) 0.6181(4) 0.57219(19) 0.118(3) Uani 1 1 d . . . . .
O29 O 0.0127(4) 0.6282(6) 0.5552(2) 0.151(4) Uani 1 1 d . . . . .
O30 O 0.0741(7) 0.5516(4) 0.5503(3) 0.192(5) Uani 1 1 d . . . . .
O31 O 0.7012(4) 0.4334(5) 0.9300(2) 0.136(3) Uani 1 1 d . . . . .
O32 O 0.7776(4) 0.4290(6) 0.8864(3) 0.152(4) Uani 1 1 d . . . . .
O33 O 0.8075(4) 0.4180(5) 0.9463(2) 0.133(3) Uani 1 1 d . . . . .
S1 S 0.30782(18) -0.01331(12) 0.75383(10) 0.1160(10) Uani 1 1 d D . . . .
S2 S 0.43423(9) 0.31074(8) 0.96359(6) 0.0751(5) Uani 1 1 d . . . . .
S3 S 1.01492(10) 0.56242(10) 0.88751(6) 0.0808(6) Uani 1 1 d . . . . .
S4 S 0.58128(11) 0.58637(11) 0.75109(6) 0.0949(6) Uani 1 1 d . . . . .
S5 S 0.63675(11) 0.94255(11) 0.80474(7) 0.0889(7) Uani 1 1 d . . . . .
S6 S 0.07256(11) 0.60436(10) 0.55173(6) 0.0890(6) Uani 1 1 d . . . . .
S7 S 0.76022(13) 0.4391(2) 0.91952(8) 0.1355(12) Uani 1 1 d . . . . .
S8 S 0.94823(14) 0.32577(16) 0.75844(12) 0.0797(11) Uani 0.556(4) 1 d . . P D 1
C325 C 0.2329(10) -0.0288(6) 0.7516(5) 0.153(7) Uani 1 1 d . . . . .
C326 C 0.4312(4) 0.3864(4) 0.9471(2) 0.088(3) Uani 1 1 d D . . . .
C327 C 1.0486(5) 0.5696(5) 0.9270(3) 0.097(3) Uani 1 1 d . . . . .
C328 C 0.6243(4) 0.6148(6) 0.7783(3) 0.099(3) Uani 1 1 d . . . . .
C329 C 0.6453(5) 0.9048(3) 0.8498(3) 0.090(3) Uani 1 1 d . . . . .
C330 C 0.0851(4) 0.6399(5) 0.5064(3) 0.098(3) Uani 1 1 d . . . . .
C331 C 0.7519(7) 0.5192(8) 0.9095(4) 0.140(5) Uani 1 1 d . . . . .
C332 C 0.9266(8) 0.3983(6) 0.7630(7) 0.099(6) Uani 0.556(4) 1 d . . P D 1
C339 C 0.2417(8) 0.0094(7) 0.8730(5) 0.161(5) Uani 1 1 d . . . . .
C340 C 0.4937(6) 0.0116(7) 0.8702(5) 0.132(5) Uani 1 1 d . . . . .
C341 C 0.9683(5) 0.2028(8) 0.8184(5) 0.159(6) Uani 1 1 d D . . . .
C432 C 0.8730(7) 0.3253(8) 0.7253(5) 0.78(12) Uani 0.444(4) 1 d D . P D 2
O34 O 1.0099(4) 0.3202(4) 0.7512(3) 0.064(2) Uani 0.556(4) 1 d . . P D 1
O35 O 0.9422(7) 0.2896(7) 0.7943(5) 0.128(5) Uani 0.556(4) 1 d . . P D 1
O36 O 0.9056(7) 0.3278(6) 0.7312(4) 0.108(4) Uani 0.556(4) 1 d . . P D 1
F1 F 0.2353(6) -0.0808(4) 0.7643(3) 0.170(4) Uani 1 1 d . . . . .
F2 F 0.1893(5) 0.0042(5) 0.7604(5) 0.224(7) Uani 1 1 d . . . . .
F3 F 0.2103(11) 0.0038(16) 0.7209(5) 0.400(18) Uani 1 1 d . . . . .
F4 F 0.3815(3) 0.4208(2) 0.9399(2) 0.114(2) Uani 1 1 d . . . . .
F5 F 0.4634(3) 0.4014(3) 0.9715(2) 0.144(2) Uani 1 1 d D . . . .
F6 F 0.4672(4) 0.3964(3) 0.9197(3) 0.150(3) Uani 1 1 d . . . . .
F7 F 1.0226(6) 0.6219(3) 0.9331(3) 0.172(4) Uani 1 1 d . . . . .
F8 F 1.0428(5) 0.5336(4) 0.95541(19) 0.143(3) Uani 1 1 d . . . . .
F9 F 1.1090(4) 0.5625(4) 0.9256(3) 0.166(3) Uani 1 1 d . . . . .
F10 F 0.6052(4) 0.6680(3) 0.7717(3) 0.152(3) Uani 1 1 d . . . . .
F11 F 0.6167(4) 0.5914(4) 0.81265(16) 0.125(2) Uani 1 1 d . . . . .
F12 F 0.6827(3) 0.6062(6) 0.7738(2) 0.201(5) Uani 1 1 d . . . . .
F13 F 0.6550(4) 0.9318(3) 0.87171(18) 0.141(2) Uani 1 1 d . . . . .
F14 F 0.5950(4) 0.8851(3) 0.8600(2) 0.134(2) Uani 1 1 d . . . . .
F15 F 0.6964(5) 0.8593(4) 0.8561(3) 0.171(4) Uani 1 1 d . . . . .
F16 F 0.0854(5) 0.6928(4) 0.5013(2) 0.157(3) Uani 1 1 d . . . . .
F17 F 0.1400(3) 0.6183(4) 0.4979(2) 0.150(3) Uani 1 1 d . . . . .
F18 F 0.0467(4) 0.6384(4) 0.48150(18) 0.158(2) Uani 1 1 d . . . . .
F19 F 0.8025(4) 0.5326(6) 0.9052(3) 0.205(5) Uani 1 1 d . . . . .
F20 F 0.7158(6) 0.5408(8) 0.8799(3) 0.227(7) Uani 1 1 d . . . . .
F21 F 0.7300(6) 0.5355(7) 0.9362(3) 0.210(6) Uani 1 1 d . . . . .
F22 F 0.9401(5) 0.4347(5) 0.7333(5) 0.129(5) Uani 0.556(4) 1 d . . P D 1
F23 F 0.8658(5) 0.4130(6) 0.7670(4) 0.129(4) Uani 0.556(4) 1 d . . P D 1
F24 F 0.9582(6) 0.4041(5) 0.7898(3) 0.109(3) Uani 0.556(4) 1 d . . P D 1
F22' F 0.8905(8) 0.3626(7) 0.6983(4) 0.153(6) Uani 0.444(4) 1 d D . P D 2
F23' F 0.9248(7) 0.2863(7) 0.7278(9) 0.198(11) Uani 0.444(4) 1 d D . P D 2
F24' F 0.8234(8) 0.3417(10) 0.7413(5) 0.178(9) Uani 0.444(4) 1 d D . P D 2
S8' S 0.9350(3) 0.3680(3) 0.75770(17) 0.0944(16) Uani 0.444(4) 1 d . . P D 2
O34' O 0.9270(8) 0.3416(18) 0.7935(4) 0.195(16) Uani 0.444(4) 1 d . . P D 2
O35' O 0.9970(8) 0.3485(11) 0.7470(6) 0.125(7) Uani 0.444(4) 1 d . . P D 2
O36' O 0.9010(14) 0.4237(7) 0.7457(7) 0.160(9) Uani 0.444(4) 1 d . . P D 2
O61 O 0.0355(9) 0.7541(7) 0.8934(3) 0.205(6) Uani 1 1 d . . . . .
O60 O 0.9606(5) 0.7407(6) 0.5531(3) 0.178(4) Uani 1 1 d . . . . .
O59 O 0.5098(3) 0.1963(3) 0.92583(18) 0.098(2) Uani 1 1 d . . . . .
O55 O 0.4762(4) 0.0121(4) 0.8386(3) 0.125(3) Uani 1 1 d . . . . .
O58 O 0.5490(4) 0.7290(7) 0.6766(3) 0.166(5) Uani 1 1 d . . . . .
O56 O 0.3069(4) 0.0148(3) 0.8790(3) 0.123(3) Uani 1 1 d . . . . .
O57 O 1.0287(3) 0.2087(4) 0.8266(2) 0.123(2) Uani 1 1 d 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
Rh1 N1 2.199(6) . ?
Rh1 N2 2.170(5) . ?
Rh1 N36 2.134(7) . ?
Rh1 C1A 2.151(7) . ?
Rh1 C2A 2.156(9) . ?
Rh1 C3A 2.126(9) . ?
Rh1 C4A 2.128(9) . ?
Rh1 C5A 2.133(8) . ?
Rh2 N3 2.160(5) . ?
Rh2 N4 2.168(6) . ?
Rh2 N25 2.136(5) . ?
Rh2 C1B 2.164(8) . ?
Rh2 C2B 2.142(8) . ?
Rh2 C3B 2.161(6) . ?
Rh2 C4B 2.121(6) . ?
Rh2 C5B 2.188(8) . ?
Rh3 N5 2.141(7) . ?
Rh3 N6 2.162(7) . ?
Rh3 N28 2.123(6) . ?
Rh3 C1C 2.120(10) . ?
Rh3 C2C 2.159(9) . ?
Rh3 C3C 2.106(11) . ?
Rh3 C4C 2.165(12) . ?
Rh3 C5C 2.162(10) . ?
Rh4 N7 2.167(6) . ?
Rh4 N8 2.160(6) . ?
Rh4 N29 2.147(6) . ?
Rh4 C1D 2.154(8) . ?
Rh4 C2D 2.123(9) . ?
Rh4 C3D 2.112(8) . ?
Rh4 C4D 2.141(8) . ?
Rh4 C5D 2.098(9) . ?
Rh5 N9 2.123(5) . ?
Rh5 N10 2.177(7) . ?
Rh5 N32 2.117(5) . ?
Rh5 C1E 2.145(8) . ?
Rh5 C2E 2.134(7) . ?
Rh5 C3E 2.140(9) . ?
Rh5 C4E 2.174(10) . ?
Rh5 C5E 2.128(9) . ?
Rh6 N11 2.161(5) . ?
Rh6 N12 2.175(5) . ?
Rh6 N33 2.147(5) . ?
Rh6 C1F 2.148(7) . ?
Rh6 C2F 2.115(7) . ?
Rh6 C3F 2.154(8) . ?
Rh6 C4F 2.146(8) . ?
Rh6 C5F 2.127(7) . ?
Rh7 N13 2.198(5) . ?
Rh7 N14 2.172(5) . ?
Rh7 N48 2.138(5) . ?
Rh7 C1G 2.158(7) . ?
Rh7 C2G 2.144(7) . ?
Rh7 C3G 2.135(6) . ?
Rh7 C4G 2.171(7) . ?
Rh7 C5G 2.142(7) . ?
Rh8 N15 2.175(6) . ?
Rh8 N16 2.144(5) . ?
Rh8 N37 2.149(6) . ?
Rh8 C1H 2.184(8) . ?
Rh8 C2H 2.133(7) . ?
Rh8 C3H 2.150(8) . ?
Rh8 C4H 2.144(9) . ?
Rh8 C5H 2.157(8) . ?
Rh9 N17 2.144(5) . ?
Rh9 N18 2.173(6) . ?
Rh9 N40 2.154(5) . ?
Rh9 C1I 2.181(9) . ?
Rh9 C2I 2.136(10) . ?
Rh9 C3I 2.193(9) . ?
Rh9 C4I 2.143(8) . ?
Rh9 C5I 2.159(8) . ?
Rh9 C11I 2.215(13) . ?
Rh9 C12I 2.007(19) . ?
Rh9 C13I 1.95(3) . ?
Rh9 C14I 2.13(2) . ?
Rh10 N19 2.167(7) . ?
Rh10 N20 2.159(6) . ?
Rh10 N41 2.118(5) . ?
Rh10 C1J 2.181(9) . ?
Rh10 C2J 2.120(9) . ?
Rh10 C3J 2.169(8) . ?
Rh10 C4J 2.153(8) . ?
Rh10 C5J 2.150(8) . ?
Rh11 N21 2.160(6) . ?
Rh11 N22 2.153(7) . ?
Rh11 N44 2.144(6) . ?
Rh11 C1K 2.132(4) . ?
Rh11 C2K 2.177(5) . ?
Rh11 C4K 2.197(7) . ?
Rh11 C5K 2.144(6) . ?
Rh11 C11K 2.177(4) . ?
Rh11 C12K 2.171(5) . ?
Rh11 C13K 2.121(6) . ?
Rh11 C14K 2.097(7) . ?
Rh11 C15K 2.132(6) . ?
Rh12 N23 2.186(7) . ?
Rh12 N24 2.207(7) . ?
Rh12 N45 2.095(8) . ?
Rh12 C1L 2.121(14) . ?
Rh12 C2L 2.106(10) . ?
Rh12 C3L 2.131(11) . ?
Rh12 C4L 2.169(13) . ?
Rh12 C5L 2.108(18) . ?
K1 O1 2.648(5) . ?
K1 O3 2.657(5) . ?
K1 O5 2.658(5) . ?
K1 O8 2.677(5) . ?
K1 O10 2.716(5) . ?
K1 O12 2.706(5) . ?
K2 O2 2.595(7) . ?
K2 O4 2.642(6) . ?
K2 O6 2.581(7) . ?
K2 O13 2.957(16) . ?
K2 O55 2.798(9) . ?
K2 O56 2.758(10) . ?
N1 C1 1.323(9) . ?
N1 C14 1.343(9) . ?
N2 C2 1.345(8) . ?
N2 C3 1.374(8) . ?
N3 C2 1.347(9) . ?
N3 C8 1.384(8) . ?
N4 C1 1.328(8) . ?
N4 C9 1.393(9) . ?
N5 C15 1.323(10) . ?
N5 C28 1.38(2) . ?
N5 C28' 1.65(3) . ?
N6 C16 1.366(9) . ?
N6 C17 1.381(10) . ?
N7 C16 1.336(9) . ?
N7 C22 1.419(10) . ?
N8 C15 1.337(10) . ?
N8 C23 1.448(12) . ?
N8 C23' 1.448(12) . ?
N9 C29 1.343(8) . ?
N9 C42 1.392(10) . ?
N10 C30 1.284(8) . ?
N10 C31 1.426(11) . ?
N11 C30 1.357(8) . ?
N11 C36 1.407(9) . ?
N12 C29 1.337(7) . ?
N12 C37 1.388(9) . ?
N13 C43 1.303(8) . ?
N13 C56 1.359(7) . ?
N14 C44 1.307(8) . ?
N14 C45 1.371(8) . ?
N15 C44 1.312(8) . ?
N15 C50 1.414(9) . ?
N16 C43 1.309(8) . ?
N16 C51 1.398(7) . ?
N17 C21I 1.303(9) . ?
N17 C70 1.385(9) . ?
N18 C58 1.331(9) . ?
N18 C59 1.394(10) . ?
N19 C58 1.312(10) . ?
N19 C64 1.389(10) . ?
N20 C21I 1.327(9) . ?
N20 C65 1.375(9) . ?
N21 C71 1.283(10) . ?
N21 C84 1.384(12) . ?
N22 C72 1.324(10) . ?
N22 C73 1.396(14) . ?
N23 C72 1.360(11) . ?
N23 C78 1.405(13) . ?
N24 C71 1.348(10) . ?
N24 C79 1.365(13) . ?
N25 C85 1.299(8) . ?
N25 C89 1.345(9) . ?
N26 C90 1.324(9) . ?
N26 C91 1.462(8) . ?
N27 C98 1.456(11) . ?
N27 C99 1.384(12) . ?
N28 C100 1.346(9) . ?
N28 C104 1.365(11) . ?
N29 C105 1.313(8) . ?
N29 C109 1.339(10) . ?
N30 C110 1.334(9) . ?
N30 C111 1.506(9) . ?
N31 C118 1.458(10) . ?
N31 C119 1.335(11) . ?
N32 C120 1.381(10) . ?
N32 C124 1.332(9) . ?
N33 C125 1.323(9) . ?
N33 C129 1.356(9) . ?
N34 C130 1.335(10) . ?
N34 C131 1.494(9) . ?
N35 C138 1.466(12) . ?
N35 C139 1.336(11) . ?
N36 C140 1.337(10) . ?
N36 C144 1.299(9) . ?
N37 C145 1.312(10) . ?
N37 C149 1.348(8) . ?
N38 C150 1.336(9) . ?
N38 C151 1.444(12) . ?
N39 C158 1.468(8) . ?
N39 C159 1.326(9) . ?
N40 C160 1.313(8) . ?
N40 C164 1.348(9) . ?
N41 C165 1.376(9) . ?
N41 C169 1.310(10) . ?
N42 C170 1.304(10) . ?
N42 C171 1.470(10) . ?
N43 C178 1.487(8) . ?
N43 C179 1.347(10) . ?
N44 C180 1.330(10) . ?
N44 C184 1.332(11) . ?
N45 C185 1.375(13) . ?
N45 C189 1.301(14) . ?
N46 C190 1.324(12) . ?
N46 C191 1.438(11) . ?
N47 C198 1.464(8) . ?
N47 C199 1.329(8) . ?
N48 C200 1.366(9) . ?
N48 C204 1.322(8) . ?
O1 C90 1.215(8) . ?
O2 C99 1.215(11) . ?
O3 C110 1.241(9) . ?
O4 C119 1.247(10) . ?
O5 C130 1.250(9) . ?
O6 C139 1.270(11) . ?
O7 C150 1.228(9) . ?
O8 C159 1.228(8) . ?
O9 C170 1.226(9) . ?
O10 C179 1.253(8) . ?
O11 C190 1.223(11) . ?
O12 C199 1.248(8) . ?
O13 S1 1.408(13) . ?
O14 S1 1.330(12) . ?
O15 S1 1.421(10) . ?
O16 S2 1.447(8) . ?
O17 S2 1.423(6) . ?
O18 S2 1.422(8) . ?
O19 S3 1.412(7) . ?
O20 S3 1.391(8) . ?
O21 S3 1.432(9) . ?
O22 S4 1.417(6) . ?
O23 S4 1.473(9) . ?
O24 S4 1.349(9) . ?
C1A C2A 1.389(13) . ?
C1A C5A 1.448(14) . ?
C1A C6A 1.531(12) . ?
C2A C3A 1.423(13) . ?
C2A C7A 1.523(16) . ?
C3A C4A 1.402(18) . ?
C3A C8A 1.518(17) . ?
C4A C5A 1.440(13) . ?
C4A C9A 1.506(17) . ?
C5A C10A 1.457(18) . ?
C1B C2B 1.454(12) . ?
C1B C5B 1.412(12) . ?
C1B C6B 1.514(13) . ?
C2B C3B 1.388(12) . ?
C2B C7B 1.483(13) . ?
C3B C4B 1.431(10) . ?
C3B C8B 1.497(14) . ?
C4B C5B 1.442(10) . ?
C4B C9B 1.502(12) . ?
C5B C10B 1.426(13) . ?
C1C C2C 1.46(2) . ?
C1C C5C 1.335(16) . ?
C1C C6C 1.51(3) . ?
C2C C3C 1.278(19) . ?
C2C C7C 1.46(3) . ?
C3C C4C 1.364(15) . ?
C3C C8C 1.56(2) . ?
C4C C5C 1.597(19) . ?
C4C C9C 1.42(2) . ?
C5C C10C 1.506(18) . ?
C1D C2D 1.390(16) . ?
C1D C5D 1.437(14) . ?
C1D C6D 1.494(13) . ?
C2D C3D 1.375(13) . ?
C2D C7D 1.505(19) . ?
C3D C4D 1.459(14) . ?
C3D C8D 1.504(13) . ?
C4D C5D 1.373(13) . ?
C4D C9D 1.534(15) . ?
C5D C10D 1.492(18) . ?
C1E C2E 1.388(12) . ?
C1E C5E 1.456(16) . ?
C1E C6E 1.502(17) . ?
C2E C3E 1.403(15) . ?
C2E C7E 1.511(12) . ?
C3E C4E 1.417(15) . ?
C3E C8E 1.54(2) . ?
C4E C5E 1.47(2) . ?
C4E C9E 1.498(18) . ?
C5E C10E 1.441(18) . ?
C1F C2F 1.487(12) . ?
C1F C5F 1.355(11) . ?
C1F C6F 1.516(13) . ?
C2F C3F 1.407(11) . ?
C2F C7F 1.495(11) . ?
C3F C4F 1.430(13) . ?
C3F C8F 1.513(14) . ?
C4F C5F 1.459(14) . ?
C4F C9F 1.482(14) . ?
C5F C10F 1.543(15) . ?
C1G C2G 1.416(11) . ?
C1G C5G 1.428(12) . ?
C1G C6G 1.488(14) . ?
C2G C3G 1.465(12) . ?
C2G C7G 1.484(14) . ?
C3G C4G 1.393(11) . ?
C3G C8G 1.486(10) . ?
C4G C5G 1.463(13) . ?
C4G C9G 1.489(14) . ?
C5G C10G 1.512(11) . ?
C1H C2H 1.436(13) . ?
C1H C5H 1.403(12) . ?
C1H C6H 1.452(13) . ?
C2H C3H 1.508(11) . ?
C2H C7H 1.469(15) . ?
C3H C4H 1.426(16) . ?
C3H C8H 1.455(17) . ?
C4H C5H 1.382(12) . ?
C4H C9H 1.462(13) . ?
C5H C10H 1.538(15) . ?
C1I C2I 1.395(12) . ?
C1I C5I 1.416(14) . ?
C1I C6I 1.467(15) . ?
C2I C3I 1.391(14) . ?
C2I C7I 1.567(17) . ?
C3I C4I 1.423(15) . ?
C3I C8I 1.540(16) . ?
C4I C5I 1.519(14) . ?
C4I C9I 1.459(18) . ?
C5I C10I 1.468(19) . ?
C11I C12I 1.403(7) . ?
C11I C15I 1.403(7) . ?
C11I C16I 1.500(16) . ?
C12I C13I 1.403(7) . ?
C12I C17I 1.451(15) . ?
C13I C14I 1.403(7) . ?
C13I C18I 1.453(17) . ?
C14I C15I 1.403(7) . ?
C14I C18I 2.25(3) . ?
C14I C19I 1.541(16) . ?
C15I C19I 2.40(2) . ?
C15I C20I 1.598(16) . ?
C19I C20I 2.80(2) . ?
C1J C2J 1.422(13) . ?
C1J C5J 1.461(15) . ?
C1J C6J 1.482(16) . ?
C2J C3J 1.448(17) . ?
C2J C7J 1.59(2) . ?
C3J C4J 1.413(15) . ?
C3J C8J 1.483(18) . ?
C4J C5J 1.416(13) . ?
C4J C9J 1.507(16) . ?
C5J C10J 1.473(16) . ?
C1K C2K 1.405(3) . ?
C1K C5K 1.405(3) . ?
C1K C6K 1.493(3) . ?
C2K C3K 1.405(3) . ?
C2K C7K 1.494(3) . ?
C3K C4K 1.405(3) . ?
C3K C8K 1.493(3) . ?
C4K C5K 1.405(3) . ?
C4K C9K 1.494(3) . ?
C5K C10K 1.494(3) . ?
C11K C12K 1.405(3) . ?
C11K C15K 1.405(3) . ?
C11K C16K 1.493(3) . ?
C12K C13K 1.405(3) . ?
C12K C17K 1.493(3) . ?
C13K C14K 1.405(3) . ?
C13K C18K 1.493(3) . ?
C14K C15K 1.405(3) . ?
C14K C19K 1.493(3) . ?
C15K C20K 1.493(3) . ?
C1L C2L 1.34(2) . ?
C1L C5L 1.34(3) . ?
C1L C6L 1.46(3) . ?
C2L C3L 1.52(2) . ?
C2L C7L 1.59(3) . ?
C3L C4L 1.43(2) . ?
C3L C8L 1.60(3) . ?
C4L C5L 1.24(3) . ?
C4L C9L 1.41(3) . ?
C5L C10L 1.42(4) . ?
C1 C2 1.393(8) . ?
C3 C4 1.384(10) . ?
C3 C8 1.406(10) . ?
C4 C5 1.360(14) . ?
C5 C6 1.436(15) . ?
C6 C7 1.388(12) . ?
C7 C8 1.375(10) . ?
C9 C10 1.374(10) . ?
C9 C14 1.453(11) . ?
C10 C11 1.357(13) . ?
C11 C12 1.476(13) . ?
C12 C13 1.336(11) . ?
C13 C14 1.416(11) . ?
C15 C16 1.376(10) . ?
C17 C18 1.405(14) . ?
C17 C22 1.409(12) . ?
C18 C19 1.457(19) . ?
C19 C20 1.27(2) . ?
C20 C21 1.438(18) . ?
C21 C22 1.391(13) . ?
C23 C24 1.29(2) . ?
C23 C28 1.41(2) . ?
C24 C25 1.48(3) . ?
C25 C26 1.96(6) . ?
C26 C27 1.65(6) . ?
C27 C28 1.37(2) . ?
C23' C24' 1.39(3) . ?
C23' C28' 1.60(3) . ?
C24' C25' 1.31(4) . ?
C25' C26' 1.42(4) . ?
C26' C27' 1.28(3) . ?
C27' C28' 1.24(4) . ?
C29 C30 1.435(9) . ?
C31 C32 1.407(12) . ?
C31 C36 1.429(10) . ?
C32 C33 1.362(16) . ?
C33 C34 1.349(15) . ?
C34 C35 1.426(13) . ?
C35 C36 1.402(12) . ?
C37 C38 1.384(11) . ?
C37 C42 1.424(9) . ?
C38 C39 1.322(14) . ?
C39 C40 1.432(14) . ?
C40 C41 1.392(12) . ?
C41 C42 1.417(12) . ?
C43 C44 1.431(8) . ?
C45 C46 1.417(9) . ?
C45 C50 1.408(10) . ?
C46 C47 1.389(12) . ?
C47 C48 1.412(16) . ?
C48 C49 1.348(13) . ?
C49 C50 1.354(10) . ?
C51 C52 1.385(9) . ?
C51 C56 1.433(8) . ?
C52 C53 1.380(11) . ?
C53 C54 1.385(12) . ?
C54 C55 1.390(10) . ?
C55 C56 1.404(9) . ?
C21I C58 1.436(9) . ?
C59 C60 1.407(12) . ?
C59 C64 1.404(12) . ?
C60 C61 1.426(14) . ?
C61 C62 1.470(19) . ?
C62 C63 1.335(17) . ?
C63 C64 1.372(13) . ?
C65 C66 1.389(11) . ?
C65 C70 1.429(11) . ?
C66 C67 1.379(14) . ?
C67 C68 1.425(16) . ?
C68 C69 1.370(13) . ?
C69 C70 1.408(11) . ?
C71 C72 1.381(14) . ?
C73 C74 1.405(15) . ?
C73 C78 1.406(13) . ?
C74 C75 1.334(17) . ?
C75 C76 1.50(2) . ?
C76 C77 1.43(2) . ?
C77 C78 1.401(16) . ?
C79 C80 1.428(15) . ?
C79 C84 1.475(12) . ?
C80 C81 1.305(18) . ?
C81 C82 1.418(18) . ?
C82 C83 1.363(19) . ?
C83 C84 1.399(16) . ?
C85 C86 1.376(9) . ?
C86 C87 1.382(9) . ?
C87 C88 1.380(9) . ?
C87 C90 1.500(9) . ?
C88 C89 1.391(9) . ?
C91 C92 1.520(11) . ?
C92 C93 1.401(11) . ?
C92 C97 1.379(10) . ?
C93 C94 1.366(12) . ?
C94 C95 1.408(11) . ?
C95 C96 1.374(11) . ?
C95 C98 1.540(12) . ?
C96 C97 1.397(12) . ?
C99 C102 1.483(12) . ?
C100 C101 1.398(11) . ?
C101 C102 1.392(11) . ?
C102 C103 1.409(11) . ?
C103 C104 1.367(12) . ?
C105 C106 1.375(10) . ?
C106 C107 1.420(10) . ?
C107 C108 1.359(9) . ?
C107 C110 1.490(10) . ?
C108 C109 1.406(11) . ?
C111 C112 1.444(10) . ?
C112 C113 1.419(10) . ?
C112 C117 1.377(9) . ?
C113 C114 1.324(11) . ?
C114 C115 1.417(10) . ?
C115 C116 1.369(10) . ?
C115 C118 1.481(10) . ?
C116 C117 1.397(10) . ?
C119 C122 1.505(10) . ?
C120 C121 1.339(11) . ?
C121 C122 1.399(11) . ?
C122 C123 1.363(11) . ?
C123 C124 1.371(10) . ?
C125 C126 1.392(10) . ?
C126 C127 1.362(11) . ?
C127 C128 1.415(10) . ?
C127 C130 1.513(9) . ?
C128 C129 1.379(10) . ?
C131 C132 1.443(12) . ?
C132 C133 1.452(10) . ?
C132 C137 1.387(11) . ?
C133 C134 1.333(12) . ?
C134 C135 1.387(12) . ?
C135 C136 1.425(11) . ?
C135 C138 1.537(13) . ?
C136 C137 1.328(12) . ?
C139 C142 1.447(13) . ?
C140 C141 1.343(13) . ?
C141 C142 1.441(11) . ?
C142 C143 1.356(11) . ?
C143 C144 1.393(12) . ?
C145 C146 1.398(11) . ?
C146 C147 1.363(9) . ?
C147 C148 1.381(11) . ?
C147 C150 1.528(11) . ?
C148 C149 1.414(12) . ?
C151 C152 1.501(14) . ?
C152 C153 1.428(12) . ?
C152 C157 1.375(11) . ?
C153 C154 1.372(14) . ?
C154 C155 1.367(11) . ?
C155 C156 1.376(11) . ?
C155 C158 1.537(12) . ?
C156 C157 1.395(13) . ?
C159 C162 1.521(8) . ?
C160 C161 1.397(9) . ?
C161 C162 1.372(10) . ?
C162 C163 1.369(9) . ?
C163 C164 1.386(9) . ?
C165 C166 1.371(10) . ?
C166 C167 1.379(11) . ?
C167 C168 1.369(10) . ?
C167 C170 1.527(10) . ?
C168 C169 1.388(11) . ?
C171 C172 1.534(11) . ?
C172 C173 1.375(11) . ?
C172 C177 1.392(9) . ?
C173 C174 1.401(12) . ?
C174 C175 1.420(9) . ?
C175 C176 1.396(10) . ?
C175 C178 1.496(10) . ?
C176 C177 1.370(10) . ?
C179 C182 1.495(9) . ?
C180 C181 1.400(10) . ?
C181 C182 1.391(11) . ?
C182 C183 1.373(10) . ?
C183 C184 1.391(11) . ?
C185 C186 1.369(13) . ?
C186 C187 1.367(14) . ?
C187 C188 1.343(14) . ?
C187 C190 1.538(12) . ?
C188 C189 1.437(14) . ?
C191 C192 1.534(11) . ?
C192 C193 1.352(10) . ?
C192 C197 1.391(10) . ?
C193 C194 1.424(11) . ?
C194 C195 1.381(10) . ?
C195 C196 1.404(8) . ?
C195 C198 1.502(10) . ?
C196 C197 1.305(10) . ?
C199 C202 1.511(8) . ?
C200 C201 1.372(10) . ?
C201 C202 1.378(8) . ?
C202 C203 1.396(9) . ?
C203 C204 1.398(10) . ?
O25 S5 1.434(9) . ?
O26 S5 1.430(10) . ?
O27 S5 1.396(9) . ?
O28 S6 1.397(9) . ?
O29 S6 1.368(9) . ?
O30 S6 1.343(11) . ?
O31 S7 1.416(9) . ?
O32 S7 1.438(11) . ?
O33 S7 1.394(8) . ?
S1 C325 1.82(2) . ?
S2 C326 1.811(10) . ?
S3 C327 1.802(13) . ?
S4 C328 1.836(12) . ?
S5 C329 1.736(11) . ?
S6 C330 1.800(10) . ?
S7 C331 1.90(2) . ?
S8 C332 1.844(18) . ?
S8 O34 1.400(9) . ?
S8 O35 1.464(16) . ?
S8 O36 1.421(15) . ?
C325 F1 1.247(18) . ?
C325 F2 1.25(2) . ?
C325 F3 1.27(3) . ?
C326 F4 1.223(10) . ?
C326 F5 1.394(11) . ?
C326 F6 1.347(13) . ?
C327 F7 1.404(15) . ?
C327 F8 1.246(13) . ?
C327 F9 1.334(15) . ?
C328 F10 1.260(15) . ?
C328 F11 1.334(12) . ?
C328 F12 1.304(11) . ?
C329 F13 1.293(13) . ?
C329 F14 1.352(14) . ?
C329 F15 1.389(12) . ?
C330 F16 1.292(15) . ?
C330 F17 1.318(13) . ?
C330 F18 1.323(12) . ?
C331 F19 1.258(18) . ?
C331 F20 1.318(19) . ?
C331 F21 1.30(2) . ?
C332 F22 1.34(2) . ?
C332 F23 1.35(2) . ?
C332 F24 1.33(3) . ?
C339 O56 1.53(2) . ?
C340 O55 1.30(2) . ?
C341 O57 1.447(13) . ?
C432 F22' 1.322(16) . ?
C432 F23' 1.324(16) . ?
C432 F24' 1.322(16) . ?
F2 F3 1.63(3) . ?
S8' O34' 1.401(19) . ?
S8' O35' 1.47(2) . ?
S8' O36' 1.38(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Rh1 N1 79.0(2) . . ?
N36 Rh1 N1 89.6(2) . . ?
N36 Rh1 N2 90.9(2) . . ?
N36 Rh1 C1A 123.8(3) . . ?
N36 Rh1 C2A 95.0(3) . . ?
C1A Rh1 N1 98.2(3) . . ?
C1A Rh1 N2 145.2(3) . . ?
C1A Rh1 C2A 37.6(4) . . ?
C2A Rh1 N1 125.5(3) . . ?
C2A Rh1 N2 154.8(3) . . ?
C3A Rh1 N1 162.2(3) . . ?
C3A Rh1 N2 116.0(3) . . ?
C3A Rh1 N36 99.3(4) . . ?
C3A Rh1 C1A 64.1(3) . . ?
C3A Rh1 C2A 38.8(3) . . ?
C3A Rh1 C4A 38.5(5) . . ?
C3A Rh1 C5A 66.5(5) . . ?
C4A Rh1 N1 136.5(4) . . ?
C4A Rh1 N2 94.2(3) . . ?
C4A Rh1 N36 133.7(3) . . ?
C4A Rh1 C1A 63.9(3) . . ?
C4A Rh1 C2A 64.3(4) . . ?
C4A Rh1 C5A 39.5(4) . . ?
C5A Rh1 N1 101.0(3) . . ?
C5A Rh1 N2 106.4(3) . . ?
C5A Rh1 N36 161.0(3) . . ?
C5A Rh1 C1A 39.5(4) . . ?
C5A Rh1 C2A 66.1(4) . . ?
N3 Rh2 N4 78.52(19) . . ?
N3 Rh2 C1B 121.1(3) . . ?
N3 Rh2 C5B 95.4(2) . . ?
N4 Rh2 C5B 140.0(3) . . ?
N25 Rh2 N3 89.06(18) . . ?
N25 Rh2 N4 93.3(2) . . ?
N25 Rh2 C1B 96.3(3) . . ?
N25 Rh2 C2B 98.2(3) . . ?
N25 Rh2 C3B 131.0(2) . . ?
N25 Rh2 C5B 126.4(3) . . ?
C1B Rh2 N4 158.2(2) . . ?
C1B Rh2 C5B 37.9(3) . . ?
C2B Rh2 N3 159.7(3) . . ?
C2B Rh2 N4 119.7(3) . . ?
C2B Rh2 C1B 39.5(3) . . ?
C2B Rh2 C3B 37.6(3) . . ?
C2B Rh2 C5B 65.0(3) . . ?
C3B Rh2 N3 139.9(2) . . ?
C3B Rh2 N4 95.3(3) . . ?
C3B Rh2 C1B 63.8(3) . . ?
C3B Rh2 C5B 64.2(3) . . ?
C4B Rh2 N3 103.3(2) . . ?
C4B Rh2 N4 103.3(2) . . ?
C4B Rh2 N25 160.9(3) . . ?
C4B Rh2 C1B 64.9(3) . . ?
C4B Rh2 C2B 65.5(3) . . ?
C4B Rh2 C3B 39.0(3) . . ?
C4B Rh2 C5B 39.1(3) . . ?
N5 Rh3 N6 79.7(2) . . ?
N5 Rh3 C2C 94.8(4) . . ?
N5 Rh3 C4C 139.2(4) . . ?
N5 Rh3 C5C 156.0(3) . . ?
N6 Rh3 C4C 93.1(4) . . ?
N28 Rh3 N5 90.2(3) . . ?
N28 Rh3 N6 89.2(2) . . ?
N28 Rh3 C2C 134.3(5) . . ?
N28 Rh3 C4C 130.1(3) . . ?
N28 Rh3 C5C 96.2(4) . . ?
C1C Rh3 N5 119.8(4) . . ?
C1C Rh3 N6 158.1(4) . . ?
C1C Rh3 N28 99.9(4) . . ?
C1C Rh3 C2C 39.9(5) . . ?
C1C Rh3 C4C 65.8(5) . . ?
C1C Rh3 C5C 36.3(4) . . ?
C2C Rh3 N6 136.4(5) . . ?
C2C Rh3 C4C 63.2(5) . . ?
C2C Rh3 C5C 64.4(5) . . ?
C3C Rh3 N5 105.7(3) . . ?
C3C Rh3 N6 104.8(4) . . ?
C3C Rh3 N28 160.3(4) . . ?
C3C Rh3 C1C 62.3(5) . . ?
C3C Rh3 C2C 34.9(5) . . ?
C3C Rh3 C4C 37.2(4) . . ?
C3C Rh3 C5C 64.6(4) . . ?
C5C Rh3 N6 123.4(4) . . ?
C5C Rh3 C4C 43.3(5) . . ?
N8 Rh4 N7 79.3(2) . . ?
N29 Rh4 N7 91.7(2) . . ?
N29 Rh4 N8 89.4(2) . . ?
N29 Rh4 C1D 97.1(3) . . ?
C1D Rh4 N7 118.9(3) . . ?
C1D Rh4 N8 160.3(3) . . ?
C2D Rh4 N7 95.1(3) . . ?
C2D Rh4 N8 140.7(4) . . ?
C2D Rh4 N29 129.8(3) . . ?
C2D Rh4 C1D 37.9(4) . . ?
C2D Rh4 C4D 63.9(4) . . ?
C3D Rh4 N7 101.7(3) . . ?
C3D Rh4 N8 104.6(3) . . ?
C3D Rh4 N29 162.0(3) . . ?
C3D Rh4 C1D 66.0(3) . . ?
C3D Rh4 C2D 37.9(4) . . ?
C3D Rh4 C4D 40.1(4) . . ?
C4D Rh4 N7 139.1(3) . . ?
C4D Rh4 N8 95.2(3) . . ?
C4D Rh4 N29 128.9(3) . . ?
C4D Rh4 C1D 66.3(3) . . ?
C5D Rh4 N7 156.9(3) . . ?
C5D Rh4 N8 121.2(3) . . ?
C5D Rh4 N29 98.7(3) . . ?
C5D Rh4 C1D 39.5(4) . . ?
C5D Rh4 C2D 62.4(4) . . ?
C5D Rh4 C3D 64.6(4) . . ?
C5D Rh4 C4D 37.8(4) . . ?
N9 Rh5 N10 79.2(2) . . ?
N9 Rh5 C1E 148.3(3) . . ?
N9 Rh5 C2E 150.0(3) . . ?
N9 Rh5 C3E 111.7(3) . . ?
N9 Rh5 C4E 92.3(3) . . ?
N9 Rh5 C5E 108.8(4) . . ?
N32 Rh5 N9 91.8(2) . . ?
N32 Rh5 N10 88.0(2) . . ?
N32 Rh5 C1E 119.9(3) . . ?
N32 Rh5 C2E 95.2(3) . . ?
N32 Rh5 C3E 102.8(3) . . ?
N32 Rh5 C4E 138.4(4) . . ?
N32 Rh5 C5E 159.0(3) . . ?
C1E Rh5 N10 99.3(3) . . ?
C1E Rh5 C4E 65.5(4) . . ?
C2E Rh5 N10 130.0(3) . . ?
C2E Rh5 C1E 37.9(3) . . ?
C2E Rh5 C3E 38.3(4) . . ?
C2E Rh5 C4E 63.6(4) . . ?
C3E Rh5 N10 164.0(3) . . ?
C3E Rh5 C1E 65.2(4) . . ?
C3E Rh5 C4E 38.3(4) . . ?
C4E Rh5 N10 133.4(4) . . ?
C5E Rh5 N10 99.7(4) . . ?
C5E Rh5 C1E 39.8(4) . . ?
C5E Rh5 C2E 64.8(4) . . ?
C5E Rh5 C3E 66.2(4) . . ?
C5E Rh5 C4E 39.8(5) . . ?
N11 Rh6 N12 79.43(19) . . ?
N33 Rh6 N11 92.7(2) . . ?
N33 Rh6 N12 88.34(19) . . ?
N33 Rh6 C1F 137.5(3) . . ?
N33 Rh6 C3F 121.7(3) . . ?
C1F Rh6 N11 92.5(3) . . ?
C1F Rh6 N12 134.1(3) . . ?
C1F Rh6 C3F 65.3(3) . . ?
C2F Rh6 N11 107.6(3) . . ?
C2F Rh6 N12 98.6(2) . . ?
C2F Rh6 N33 159.4(2) . . ?
C2F Rh6 C1F 40.8(3) . . ?
C2F Rh6 C3F 38.5(3) . . ?
C2F Rh6 C4F 65.7(3) . . ?
C2F Rh6 C5F 65.8(3) . . ?
C3F Rh6 N11 145.5(3) . . ?
C3F Rh6 N12 96.9(3) . . ?
C4F Rh6 N11 152.8(3) . . ?
C4F Rh6 N12 126.9(3) . . ?
C4F Rh6 N33 94.7(3) . . ?
C4F Rh6 C1F 64.8(3) . . ?
C4F Rh6 C3F 38.8(4) . . ?
C5F Rh6 N11 112.9(3) . . ?
C5F Rh6 N12 162.0(3) . . ?
C5F Rh6 N33 103.6(3) . . ?
C5F Rh6 C1F 37.0(3) . . ?
C5F Rh6 C3F 65.4(3) . . ?
C5F Rh6 C4F 39.9(4) . . ?
N14 Rh7 N13 79.22(18) . . ?
N48 Rh7 N13 89.13(19) . . ?
N48 Rh7 N14 91.4(2) . . ?
N48 Rh7 C1G 94.0(3) . . ?
N48 Rh7 C2G 115.3(3) . . ?
N48 Rh7 C4G 146.2(3) . . ?
N48 Rh7 C5G 107.5(3) . . ?
C1G Rh7 N13 136.0(2) . . ?
C1G Rh7 N14 144.4(3) . . ?
C1G Rh7 C4G 64.8(3) . . ?
C2G Rh7 N13 101.8(2) . . ?
C2G Rh7 N14 153.3(3) . . ?
C2G Rh7 C1G 38.4(3) . . ?
C2G Rh7 C4G 64.8(3) . . ?
C3G Rh7 N13 96.4(2) . . ?
C3G Rh7 N14 113.3(3) . . ?
C3G Rh7 N48 155.3(3) . . ?
C3G Rh7 C1G 65.5(3) . . ?
C3G Rh7 C2G 40.1(3) . . ?
C3G Rh7 C4G 37.7(3) . . ?
C3G Rh7 C5G 65.7(3) . . ?
C4G Rh7 N13 124.6(3) . . ?
C4G Rh7 N14 92.3(3) . . ?
C5G Rh7 N13 162.1(2) . . ?
C5G Rh7 N14 106.4(3) . . ?
C5G Rh7 C1G 38.8(3) . . ?
C5G Rh7 C2G 65.4(3) . . ?
C5G Rh7 C4G 39.6(3) . . ?
N15 Rh8 C1H 132.8(3) . . ?
N16 Rh8 N15 78.84(19) . . ?
N16 Rh8 N37 88.9(2) . . ?
N16 Rh8 C1H 94.0(3) . . ?
N16 Rh8 C3H 154.9(3) . . ?
N16 Rh8 C5H 108.7(2) . . ?
N37 Rh8 N15 88.6(2) . . ?
N37 Rh8 C1H 138.3(3) . . ?
N37 Rh8 C3H 96.6(3) . . ?
N37 Rh8 C5H 161.4(3) . . ?
C2H Rh8 N15 162.8(3) . . ?
C2H Rh8 N16 113.7(2) . . ?
C2H Rh8 N37 102.9(3) . . ?
C2H Rh8 C1H 38.8(4) . . ?
C2H Rh8 C3H 41.2(3) . . ?
C2H Rh8 C4H 65.8(3) . . ?
C2H Rh8 C5H 65.1(3) . . ?
C3H Rh8 N15 125.6(3) . . ?
C3H Rh8 C1H 65.8(3) . . ?
C3H Rh8 C5H 64.9(4) . . ?
C4H Rh8 N15 97.1(3) . . ?
C4H Rh8 N16 145.2(3) . . ?
C4H Rh8 N37 125.7(3) . . ?
C4H Rh8 C1H 63.3(3) . . ?
C4H Rh8 C3H 38.8(4) . . ?
C4H Rh8 C5H 37.5(3) . . ?
C5H Rh8 N15 100.4(3) . . ?
C5H Rh8 C1H 37.7(3) . . ?
N17 Rh9 N18 78.7(2) . . ?
N17 Rh9 N40 89.1(2) . . ?
N17 Rh9 C1I 154.9(3) . . ?
N17 Rh9 C3I 94.4(3) . . ?
N17 Rh9 C5I 145.9(3) . . ?
N17 Rh9 C11I 163.3(4) . . ?
N17 Rh9 C14I 102.0(5) . . ?
N18 Rh9 C1I 125.6(3) . . ?
N18 Rh9 C3I 135.5(3) . . ?
N40 Rh9 N18 91.4(2) . . ?
N40 Rh9 C1I 96.2(3) . . ?
N40 Rh9 C3I 132.7(3) . . ?
N40 Rh9 C5I 124.9(3) . . ?
N40 Rh9 C11I 102.8(3) . . ?
N40 Rh9 C14I 110.9(6) . . ?
C1I Rh9 C3I 64.2(4) . . ?
C2I Rh9 N17 117.2(3) . . ?
C2I Rh9 N18 159.9(3) . . ?
C2I Rh9 N40 100.7(3) . . ?
C2I Rh9 C1I 37.7(3) . . ?
C2I Rh9 C3I 37.5(4) . . ?
C2I Rh9 C4I 63.9(4) . . ?
C2I Rh9 C5I 63.5(4) . . ?
C4I Rh9 N17 105.9(3) . . ?
C4I Rh9 N18 101.0(4) . . ?
C4I Rh9 N40 162.0(3) . . ?
C4I Rh9 C1I 66.0(4) . . ?
C4I Rh9 C3I 38.3(4) . . ?
C4I Rh9 C5I 41.3(4) . . ?
C5I Rh9 N18 96.4(3) . . ?
C5I Rh9 C1I 38.1(4) . . ?
C5I Rh9 C3I 65.4(4) . . ?
C11I Rh9 N18 112.2(3) . . ?
C12I Rh9 N17 131.0(4) . . ?
C12I Rh9 N18 96.0(5) . . ?
C12I Rh9 N40 139.9(4) . . ?
C12I Rh9 C11I 38.4(3) . . ?
C12I Rh9 C14I 66.4(7) . . ?
C13I Rh9 N17 98.3(6) . . ?
C13I Rh9 N18 117.8(5) . . ?
C13I Rh9 N40 150.7(6) . . ?
C13I Rh9 C11I 65.7(6) . . ?
C13I Rh9 C12I 41.5(5) . . ?
C13I Rh9 C14I 39.9(5) . . ?
C14I Rh9 N18 157.7(6) . . ?
C14I Rh9 C11I 62.9(5) . . ?
N19 Rh10 C1J 147.5(3) . . ?
N19 Rh10 C3J 92.8(3) . . ?
N20 Rh10 N19 78.1(2) . . ?
N20 Rh10 C1J 134.0(3) . . ?
N20 Rh10 C3J 126.0(4) . . ?
N41 Rh10 N19 89.8(2) . . ?
N41 Rh10 N20 90.1(2) . . ?
N41 Rh10 C1J 94.1(3) . . ?
N41 Rh10 C3J 143.5(4) . . ?
N41 Rh10 C4J 156.4(3) . . ?
N41 Rh10 C5J 118.3(3) . . ?
C2J Rh10 N19 109.6(3) . . ?
C2J Rh10 N20 161.7(3) . . ?
C2J Rh10 N41 106.1(3) . . ?
C2J Rh10 C1J 38.6(4) . . ?
C2J Rh10 C3J 39.4(5) . . ?
C2J Rh10 C4J 64.2(4) . . ?
C2J Rh10 C5J 65.3(4) . . ?
C3J Rh10 C1J 65.6(4) . . ?
C4J Rh10 N19 113.7(3) . . ?
C4J Rh10 N20 97.6(3) . . ?
C4J Rh10 C1J 64.6(4) . . ?
C4J Rh10 C3J 38.1(4) . . ?
C5J Rh10 N19 152.0(3) . . ?
C5J Rh10 N20 99.9(3) . . ?
C5J Rh10 C1J 39.4(4) . . ?
C5J Rh10 C3J 65.4(4) . . ?
C5J Rh10 C4J 38.4(4) . . ?
N21 Rh11 C2K 156.2(2) . . ?
N21 Rh11 C4K 106.0(3) . . ?
N21 Rh11 C11K 107.5(2) . . ?
N21 Rh11 C12K 142.7(2) . . ?
N22 Rh11 N21 78.4(3) . . ?
N22 Rh11 C2K 105.8(2) . . ?
N22 Rh11 C4K 160.6(2) . . ?
N22 Rh11 C11K 98.3(2) . . ?
N22 Rh11 C12K 92.2(2) . . ?
N44 Rh11 N21 88.7(2) . . ?
N44 Rh11 N22 90.2(3) . . ?
N44 Rh11 C2K 114.5(2) . . ?
N44 Rh11 C4K 108.6(3) . . ?
N44 Rh11 C5K 145.5(3) . . ?
N44 Rh11 C11K 162.92(19) . . ?
N44 Rh11 C12K 127.7(2) . . ?
C1K Rh11 N21 118.6(2) . . ?
C1K Rh11 N22 97.7(2) . . ?
C1K Rh11 N44 152.5(2) . . ?
C1K Rh11 C2K 38.05(10) . . ?
C1K Rh11 C4K 63.33(16) . . ?
C1K Rh11 C5K 38.35(10) . . ?
C2K Rh11 C4K 62.61(16) . . ?
C5K Rh11 N21 94.4(2) . . ?
C5K Rh11 N22 124.1(2) . . ?
C5K Rh11 C2K 63.46(15) . . ?
C5K Rh11 C4K 37.74(11) . . ?
C12K Rh11 C11K 37.70(10) . . ?
C13K Rh11 N21 159.2(3) . . ?
C13K Rh11 N22 120.5(3) . . ?
C13K Rh11 N44 99.1(2) . . ?
C13K Rh11 C11K 63.86(16) . . ?
C13K Rh11 C12K 38.20(11) . . ?
C13K Rh11 C15K 64.62(16) . . ?
C14K Rh11 N21 120.6(3) . . ?
C14K Rh11 N22 156.5(3) . . ?
C14K Rh11 N44 103.1(2) . . ?
C14K Rh11 C11K 64.24(16) . . ?
C14K Rh11 C12K 64.35(16) . . ?
C14K Rh11 C13K 38.91(11) . . ?
C14K Rh11 C15K 38.80(11) . . ?
C15K Rh11 N21 96.6(2) . . ?
C15K Rh11 N22 132.9(2) . . ?
C15K Rh11 N44 136.8(3) . . ?
C15K Rh11 C11K 38.03(10) . . ?
C15K Rh11 C12K 63.77(16) . . ?
N23 Rh12 N24 79.2(3) . . ?
N45 Rh12 N23 89.3(3) . . ?
N45 Rh12 N24 90.9(3) . . ?
N45 Rh12 C1L 132.6(6) . . ?
N45 Rh12 C2L 159.4(4) . . ?
N45 Rh12 C3L 122.0(5) . . ?
N45 Rh12 C4L 93.8(5) . . ?
N45 Rh12 C5L 101.7(7) . . ?
C1L Rh12 N23 94.5(5) . . ?
C1L Rh12 N24 136.2(5) . . ?
C1L Rh12 C3L 65.5(6) . . ?
C1L Rh12 C4L 63.1(7) . . ?
C2L Rh12 N23 107.6(4) . . ?
C2L Rh12 N24 103.6(4) . . ?
C2L Rh12 C1L 36.9(6) . . ?
C2L Rh12 C3L 42.1(6) . . ?
C2L Rh12 C4L 65.7(5) . . ?
C2L Rh12 C5L 60.2(7) . . ?
C3L Rh12 N23 148.7(5) . . ?
C3L Rh12 N24 98.4(4) . . ?
C3L Rh12 C4L 38.9(7) . . ?
C4L Rh12 N23 151.6(7) . . ?
C4L Rh12 N24 128.9(7) . . ?
C5L Rh12 N23 118.2(8) . . ?
C5L Rh12 N24 158.2(7) . . ?
C5L Rh12 C1L 36.9(7) . . ?
C5L Rh12 C3L 59.8(8) . . ?
C5L Rh12 C4L 33.6(9) . . ?
O1 K1 O3 97.91(16) . . ?
O1 K1 O5 96.21(16) . . ?
O1 K1 O8 178.95(18) . . ?
O1 K1 O10 83.37(15) . . ?
O1 K1 O12 80.81(15) . . ?
O3 K1 O5 96.98(18) . . ?
O3 K1 O8 82.27(17) . . ?
O3 K1 O10 81.34(17) . . ?
O3 K1 O12 178.50(15) . . ?
O5 K1 O8 82.74(16) . . ?
O5 K1 O10 178.18(17) . . ?
O5 K1 O12 83.95(16) . . ?
O8 K1 O10 97.68(16) . . ?
O8 K1 O12 99.03(16) . . ?
O12 K1 O10 97.72(16) . . ?
O2 K2 O4 82.7(2) . . ?
O2 K2 O13 98.7(3) . . ?
O2 K2 O55 162.2(3) . . ?
O2 K2 O56 84.2(2) . . ?
O4 K2 O13 168.2(3) . . ?
O4 K2 O55 79.6(3) . . ?
O4 K2 O56 82.8(2) . . ?
O6 K2 O2 86.4(2) . . ?
O6 K2 O4 84.5(2) . . ?
O6 K2 O13 107.3(3) . . ?
O6 K2 O55 89.7(3) . . ?
O6 K2 O56 165.0(3) . . ?
O55 K2 O13 99.1(4) . . ?
O56 K2 O13 85.7(3) . . ?
O56 K2 O55 95.8(3) . . ?
C1 N1 Rh1 108.3(4) . . ?
C1 N1 C14 103.8(6) . . ?
C14 N1 Rh1 147.6(5) . . ?
C2 N2 Rh1 107.6(4) . . ?
C2 N2 C3 103.4(5) . . ?
C3 N2 Rh1 148.9(5) . . ?
C2 N3 Rh2 109.3(4) . . ?
C2 N3 C8 102.6(5) . . ?
C8 N3 Rh2 147.2(5) . . ?
C1 N4 Rh2 109.9(4) . . ?
C1 N4 C9 102.9(5) . . ?
C9 N4 Rh2 147.2(5) . . ?
C15 N5 Rh3 108.4(5) . . ?
C15 N5 C28 101.6(8) . . ?
C15 N5 C28' 110.2(12) . . ?
C28 N5 Rh3 149.2(8) . . ?
C28' N5 Rh3 140.3(10) . . ?
C16 N6 Rh3 108.3(5) . . ?
C16 N6 C17 102.7(6) . . ?
C17 N6 Rh3 148.4(5) . . ?
C16 N7 Rh4 106.7(4) . . ?
C16 N7 C22 103.2(6) . . ?
C22 N7 Rh4 149.9(5) . . ?
C15 N8 Rh4 109.3(5) . . ?
C15 N8 C23 104.6(6) . . ?
C15 N8 C23' 104.6(6) . . ?
C23 N8 Rh4 145.2(6) . . ?
C23' N8 Rh4 145.2(6) . . ?
C29 N9 Rh5 109.4(4) . . ?
C29 N9 C42 102.3(5) . . ?
C42 N9 Rh5 148.2(5) . . ?
C30 N10 Rh5 109.6(5) . . ?
C30 N10 C31 101.2(6) . . ?
C31 N10 Rh5 148.6(5) . . ?
C30 N11 Rh6 110.1(4) . . ?
C30 N11 C36 102.0(5) . . ?
C36 N11 Rh6 147.8(5) . . ?
C29 N12 Rh6 108.6(4) . . ?
C29 N12 C37 103.2(5) . . ?
C37 N12 Rh6 147.8(4) . . ?
C43 N13 Rh7 107.4(4) . . ?
C43 N13 C56 103.7(5) . . ?
C56 N13 Rh7 148.7(4) . . ?
C44 N14 Rh7 108.2(4) . . ?
C44 N14 C45 104.5(5) . . ?
C45 N14 Rh7 146.8(4) . . ?
C44 N15 Rh8 108.7(4) . . ?
C44 N15 C50 102.3(6) . . ?
C50 N15 Rh8 148.9(5) . . ?
C43 N16 Rh8 110.2(4) . . ?
C43 N16 C51 103.8(5) . . ?
C51 N16 Rh8 145.5(4) . . ?
C21I N17 Rh9 110.4(4) . . ?
C21I N17 C70 102.0(6) . . ?
C70 N17 Rh9 147.3(5) . . ?
C58 N18 Rh9 109.2(4) . . ?
C58 N18 C59 100.9(6) . . ?
C59 N18 Rh9 149.7(5) . . ?
C58 N19 Rh10 110.0(4) . . ?
C58 N19 C64 102.0(6) . . ?
C64 N19 Rh10 148.0(5) . . ?
C21I N20 Rh10 111.2(4) . . ?
C21I N20 C65 100.3(6) . . ?
C65 N20 Rh10 148.4(5) . . ?
C71 N21 Rh11 109.4(6) . . ?
C71 N21 C84 104.5(7) . . ?
C84 N21 Rh11 145.6(6) . . ?
C72 N22 Rh11 107.8(6) . . ?
C72 N22 C73 103.8(7) . . ?
C73 N22 Rh11 148.2(6) . . ?
C72 N23 Rh12 107.5(6) . . ?
C72 N23 C78 104.6(7) . . ?
C78 N23 Rh12 147.9(6) . . ?
C71 N24 Rh12 108.2(6) . . ?
C71 N24 C79 103.9(7) . . ?
C79 N24 Rh12 147.4(5) . . ?
C85 N25 Rh2 121.3(4) . . ?
C85 N25 C89 117.7(5) . . ?
C89 N25 Rh2 120.9(4) . . ?
C90 N26 C91 123.6(5) . . ?
C99 N27 C98 116.7(7) . . ?
C100 N28 Rh3 118.4(5) . . ?
C100 N28 C104 117.4(7) . . ?
C104 N28 Rh3 124.1(5) . . ?
C105 N29 Rh4 121.6(5) . . ?
C105 N29 C109 118.1(6) . . ?
C109 N29 Rh4 120.3(4) . . ?
C110 N30 C111 124.8(6) . . ?
C119 N31 C118 121.2(7) . . ?
C120 N32 Rh5 120.8(5) . . ?
C124 N32 Rh5 121.6(5) . . ?
C124 N32 C120 117.5(6) . . ?
C125 N33 Rh6 119.3(5) . . ?
C125 N33 C129 119.4(6) . . ?
C129 N33 Rh6 121.3(4) . . ?
C130 N34 C131 123.7(6) . . ?
C139 N35 C138 123.8(8) . . ?
C140 N36 Rh1 119.2(5) . . ?
C144 N36 Rh1 122.1(5) . . ?
C144 N36 C140 118.6(7) . . ?
C145 N37 Rh8 120.6(5) . . ?
C145 N37 C149 119.4(7) . . ?
C149 N37 Rh8 119.8(5) . . ?
C150 N38 C151 122.3(7) . . ?
C159 N39 C158 123.8(5) . . ?
C160 N40 Rh9 123.3(5) . . ?
C160 N40 C164 117.6(6) . . ?
C164 N40 Rh9 119.1(4) . . ?
C165 N41 Rh10 117.2(5) . . ?
C169 N41 Rh10 123.7(4) . . ?
C169 N41 C165 118.6(6) . . ?
C170 N42 C171 124.4(6) . . ?
C179 N43 C178 123.0(6) . . ?
C180 N44 Rh11 121.8(5) . . ?
C180 N44 C184 118.8(6) . . ?
C184 N44 Rh11 119.4(5) . . ?
C185 N45 Rh12 119.4(7) . . ?
C189 N45 Rh12 124.5(7) . . ?
C189 N45 C185 116.0(8) . . ?
C190 N46 C191 121.4(7) . . ?
C199 N47 C198 124.3(5) . . ?
C200 N48 Rh7 123.2(4) . . ?
C204 N48 Rh7 118.6(4) . . ?
C204 N48 C200 118.1(5) . . ?
C90 O1 K1 164.9(4) . . ?
C99 O2 K2 167.1(7) . . ?
C110 O3 K1 162.6(5) . . ?
C119 O4 K2 166.1(5) . . ?
C130 O5 K1 162.7(5) . . ?
C139 O6 K2 171.7(7) . . ?
C159 O8 K1 162.2(4) . . ?
C179 O10 K1 161.3(5) . . ?
C199 O12 K1 158.2(4) . . ?
S1 O13 K2 118.4(8) . . ?
C2A C1A Rh1 71.4(5) . . ?
C2A C1A C5A 111.0(7) . . ?
C2A C1A C6A 125.6(9) . . ?
C5A C1A Rh1 69.6(4) . . ?
C5A C1A C6A 123.3(9) . . ?
C6A C1A Rh1 124.3(6) . . ?
C1A C2A Rh1 71.0(5) . . ?
C1A C2A C3A 107.5(10) . . ?
C1A C2A C7A 128.8(8) . . ?
C3A C2A Rh1 69.5(5) . . ?
C3A C2A C7A 123.7(9) . . ?
C7A C2A Rh1 125.1(7) . . ?
C2A C3A Rh1 71.7(5) . . ?
C2A C3A C8A 127.0(13) . . ?
C4A C3A Rh1 70.8(5) . . ?
C4A C3A C2A 107.5(9) . . ?
C4A C3A C8A 125.3(12) . . ?
C8A C3A Rh1 126.9(9) . . ?
C3A C4A Rh1 70.7(6) . . ?
C3A C4A C5A 110.6(9) . . ?
C3A C4A C9A 124.7(10) . . ?
C5A C4A Rh1 70.4(5) . . ?
C5A C4A C9A 124.7(11) . . ?
C9A C4A Rh1 127.7(8) . . ?
C1A C5A Rh1 70.9(5) . . ?
C1A C5A C10A 124.0(9) . . ?
C4A C5A Rh1 70.1(5) . . ?
C4A C5A C1A 103.2(9) . . ?
C4A C5A C10A 132.6(10) . . ?
C10A C5A Rh1 126.7(7) . . ?
C2B C1B Rh2 69.4(5) . . ?
C2B C1B C6B 129.4(9) . . ?
C5B C1B Rh2 72.0(5) . . ?
C5B C1B C2B 108.5(7) . . ?
C5B C1B C6B 122.0(8) . . ?
C6B C1B Rh2 127.8(6) . . ?
C1B C2B Rh2 71.1(4) . . ?
C1B C2B C7B 122.3(9) . . ?
C3B C2B Rh2 72.0(4) . . ?
C3B C2B C1B 107.0(7) . . ?
C3B C2B C7B 130.4(9) . . ?
C7B C2B Rh2 126.4(7) . . ?
C2B C3B Rh2 70.4(4) . . ?
C2B C3B C4B 109.7(7) . . ?
C2B C3B C8B 127.6(8) . . ?
C4B C3B Rh2 69.0(3) . . ?
C4B C3B C8B 122.6(8) . . ?
C8B C3B Rh2 124.4(7) . . ?
C3B C4B Rh2 72.0(4) . . ?
C3B C4B C5B 107.0(7) . . ?
C3B C4B C9B 129.4(7) . . ?
C5B C4B Rh2 72.9(4) . . ?
C5B C4B C9B 123.5(7) . . ?
C9B C4B Rh2 122.9(6) . . ?
C1B C5B Rh2 70.2(5) . . ?
C1B C5B C4B 107.4(7) . . ?
C1B C5B C10B 127.0(8) . . ?
C4B C5B Rh2 68.0(4) . . ?
C10B C5B Rh2 126.4(6) . . ?
C10B C5B C4B 125.6(8) . . ?
C2C C1C Rh3 71.5(6) . . ?
C2C C1C C6C 121.2(12) . . ?
C5C C1C Rh3 73.5(6) . . ?
C5C C1C C2C 110.8(13) . . ?
C5C C1C C6C 127.9(13) . . ?
C6C C1C Rh3 124.0(11) . . ?
C1C C2C Rh3 68.6(6) . . ?
C1C C2C C7C 114(2) . . ?
C3C C2C Rh3 70.3(6) . . ?
C3C C2C C1C 105.8(11) . . ?
C3C C2C C7C 140(2) . . ?
C7C C2C Rh3 120.7(14) . . ?
C2C C3C Rh3 74.9(8) . . ?
C2C C3C C4C 118.1(13) . . ?
C2C C3C C8C 125.9(13) . . ?
C4C C3C Rh3 73.8(6) . . ?
C4C C3C C8C 116.0(13) . . ?
C8C C3C Rh3 122.7(9) . . ?
C3C C4C Rh3 69.0(7) . . ?
C3C C4C C5C 100.5(10) . . ?
C3C C4C C9C 135.0(14) . . ?
C5C C4C Rh3 68.2(6) . . ?
C9C C4C Rh3 127.9(10) . . ?
C9C C4C C5C 124.3(11) . . ?
C1C C5C Rh3 70.2(6) . . ?
C1C C5C C4C 104.7(10) . . ?
C1C C5C C10C 133.1(14) . . ?
C4C C5C Rh3 68.5(5) . . ?
C10C C5C Rh3 125.5(8) . . ?
C10C C5C C4C 122.2(12) . . ?
C2D C1D Rh4 69.8(5) . . ?
C2D C1D C5D 101.4(8) . . ?
C2D C1D C6D 132.9(11) . . ?
C5D C1D Rh4 68.1(5) . . ?
C5D C1D C6D 125.6(11) . . ?
C6D C1D Rh4 126.8(7) . . ?
C1D C2D Rh4 72.3(5) . . ?
C1D C2D C7D 121.7(11) . . ?
C3D C2D Rh4 70.6(5) . . ?
C3D C2D C1D 114.5(10) . . ?
C3D C2D C7D 123.8(11) . . ?
C7D C2D Rh4 126.5(7) . . ?
C2D C3D Rh4 71.5(5) . . ?
C2D C3D C4D 105.5(8) . . ?
C2D C3D C8D 132.2(10) . . ?
C4D C3D Rh4 71.0(5) . . ?
C4D C3D C8D 122.3(8) . . ?
C8D C3D Rh4 123.0(6) . . ?
C3D C4D Rh4 68.9(4) . . ?
C3D C4D C9D 122.9(10) . . ?
C5D C4D Rh4 69.4(5) . . ?
C5D C4D C3D 105.2(8) . . ?
C5D C4D C9D 131.9(12) . . ?
C9D C4D Rh4 125.8(7) . . ?
C1D C5D Rh4 72.4(5) . . ?
C1D C5D C10D 119.4(10) . . ?
C4D C5D Rh4 72.8(5) . . ?
C4D C5D C1D 113.3(10) . . ?
C4D C5D C10D 127.3(10) . . ?
C10D C5D Rh4 125.3(8) . . ?
C2E C1E Rh5 70.6(4) . . ?
C2E C1E C5E 106.9(10) . . ?
C2E C1E C6E 128.4(9) . . ?
C5E C1E Rh5 69.5(5) . . ?
C5E C1E C6E 124.7(10) . . ?
C6E C1E Rh5 126.3(7) . . ?
C1E C2E Rh5 71.5(4) . . ?
C1E C2E C3E 111.6(8) . . ?
C1E C2E C7E 124.3(9) . . ?
C3E C2E Rh5 71.0(5) . . ?
C3E C2E C7E 124.1(8) . . ?
C7E C2E Rh5 125.2(6) . . ?
C2E C3E Rh5 70.6(5) . . ?
C2E C3E C4E 107.2(10) . . ?
C2E C3E C8E 127.8(10) . . ?
C4E C3E Rh5 72.1(6) . . ?
C4E C3E C8E 124.5(11) . . ?
C8E C3E Rh5 128.3(7) . . ?
C3E C4E Rh5 69.5(5) . . ?
C3E C4E C5E 107.9(10) . . ?
C3E C4E C9E 127.9(15) . . ?
C5E C4E Rh5 68.4(5) . . ?
C5E C4E C9E 124.2(14) . . ?
C9E C4E Rh5 125.6(7) . . ?
C1E C5E Rh5 70.7(5) . . ?
C1E C5E C4E 106.2(9) . . ?
C4E C5E Rh5 71.8(6) . . ?
C10E C5E Rh5 127.7(8) . . ?
C10E C5E C1E 127.7(16) . . ?
C10E C5E C4E 125.7(15) . . ?
C2F C1F Rh6 68.4(4) . . ?
C2F C1F C6F 124.5(8) . . ?
C5F C1F Rh6 70.7(4) . . ?
C5F C1F C2F 108.1(7) . . ?
C5F C1F C6F 127.4(9) . . ?
C6F C1F Rh6 126.6(6) . . ?
C1F C2F Rh6 70.8(4) . . ?
C1F C2F C7F 128.5(8) . . ?
C3F C2F Rh6 72.3(4) . . ?
C3F C2F C1F 106.6(6) . . ?
C3F C2F C7F 124.8(8) . . ?
C7F C2F Rh6 124.0(5) . . ?
C2F C3F Rh6 69.3(4) . . ?
C2F C3F C4F 109.1(7) . . ?
C2F C3F C8F 126.8(8) . . ?
C4F C3F Rh6 70.3(5) . . ?
C4F C3F C8F 124.1(8) . . ?
C8F C3F Rh6 127.4(5) . . ?
C3F C4F Rh6 70.9(4) . . ?
C3F C4F C5F 106.4(7) . . ?
C3F C4F C9F 128.0(10) . . ?
C5F C4F Rh6 69.3(4) . . ?
C5F C4F C9F 125.5(10) . . ?
C9F C4F Rh6 126.7(6) . . ?
C1F C5F Rh6 72.4(4) . . ?
C1F C5F C4F 109.7(8) . . ?
C1F C5F C10F 124.6(9) . . ?
C4F C5F Rh6 70.8(4) . . ?
C4F C5F C10F 125.7(8) . . ?
C10F C5F Rh6 125.3(6) . . ?
C2G C1G Rh7 70.3(4) . . ?
C2G C1G C5G 109.0(7) . . ?
C2G C1G C6G 124.6(8) . . ?
C5G C1G Rh7 70.0(4) . . ?
C5G C1G C6G 126.4(8) . . ?
C6G C1G Rh7 125.7(6) . . ?
C1G C2G Rh7 71.3(4) . . ?
C1G C2G C3G 107.5(7) . . ?
C1G C2G C7G 127.8(9) . . ?
C3G C2G Rh7 69.6(4) . . ?
C3G C2G C7G 124.6(8) . . ?
C7G C2G Rh7 127.9(6) . . ?
C2G C3G Rh7 70.3(4) . . ?
C2G C3G C8G 124.6(7) . . ?
C4G C3G Rh7 72.6(4) . . ?
C4G C3G C2G 107.9(7) . . ?
C4G C3G C8G 127.4(8) . . ?
C8G C3G Rh7 124.4(5) . . ?
C3G C4G Rh7 69.7(4) . . ?
C3G C4G C5G 108.7(7) . . ?
C3G C4G C9G 128.1(10) . . ?
C5G C4G Rh7 69.1(4) . . ?
C5G C4G C9G 123.2(9) . . ?
C9G C4G Rh7 125.7(6) . . ?
C1G C5G Rh7 71.2(4) . . ?
C1G C5G C4G 106.8(6) . . ?
C1G C5G C10G 120.4(9) . . ?
C4G C5G Rh7 71.3(4) . . ?
C4G C5G C10G 132.4(9) . . ?
C10G C5G Rh7 128.3(6) . . ?
C2H C1H Rh8 68.7(4) . . ?
C2H C1H C6H 123.6(9) . . ?
C5H C1H Rh8 70.1(4) . . ?
C5H C1H C2H 108.7(7) . . ?
C5H C1H C6H 127.7(9) . . ?
C6H C1H Rh8 127.1(7) . . ?
C1H C2H Rh8 72.5(5) . . ?
C1H C2H C3H 106.2(8) . . ?
C1H C2H C7H 127.4(8) . . ?
C3H C2H Rh8 70.0(4) . . ?
C7H C2H Rh8 129.4(6) . . ?
C7H C2H C3H 125.7(9) . . ?
C2H C3H Rh8 68.8(4) . . ?
C4H C3H Rh8 70.4(5) . . ?
C4H C3H C2H 104.8(8) . . ?
C4H C3H C8H 129.2(9) . . ?
C8H C3H Rh8 126.3(7) . . ?
C8H C3H C2H 126.0(10) . . ?
C3H C4H Rh8 70.8(5) . . ?
C3H C4H C9H 125.1(9) . . ?
C5H C4H Rh8 71.8(5) . . ?
C5H C4H C3H 110.8(7) . . ?
C5H C4H C9H 123.9(10) . . ?
C9H C4H Rh8 128.5(7) . . ?
C1H C5H Rh8 72.2(5) . . ?
C1H C5H C10H 124.3(8) . . ?
C4H C5H Rh8 70.8(5) . . ?
C4H C5H C1H 109.4(8) . . ?
C4H C5H C10H 126.3(8) . . ?
C10H C5H Rh8 125.7(7) . . ?
C2I C1I Rh9 69.4(5) . . ?
C2I C1I C5I 106.9(8) . . ?
C2I C1I C6I 127.9(9) . . ?
C5I C1I Rh9 70.1(5) . . ?
C5I C1I C6I 125.2(9) . . ?
C6I C1I Rh9 126.1(7) . . ?
C1I C2I Rh9 72.9(5) . . ?
C1I C2I C7I 121.9(10) . . ?
C3I C2I Rh9 73.5(6) . . ?
C3I C2I C1I 113.0(8) . . ?
C3I C2I C7I 125.2(9) . . ?
C7I C2I Rh9 122.1(8) . . ?
C2I C3I Rh9 69.0(5) . . ?
C2I C3I C4I 107.1(8) . . ?
C2I C3I C8I 119.7(9) . . ?
C4I C3I Rh9 69.0(5) . . ?
C4I C3I C8I 133.2(10) . . ?
C8I C3I Rh9 128.2(8) . . ?
C3I C4I Rh9 72.8(5) . . ?
C3I C4I C5I 106.1(8) . . ?
C3I C4I C9I 119.9(11) . . ?
C5I C4I Rh9 69.9(4) . . ?
C9I C4I Rh9 122.0(9) . . ?
C9I C4I C5I 133.9(12) . . ?
C1I C5I Rh9 71.8(5) . . ?
C1I C5I C4I 106.8(8) . . ?
C1I C5I C10I 123.1(11) . . ?
C4I C5I Rh9 68.8(5) . . ?
C10I C5I Rh9 128.0(9) . . ?
C10I C5I C4I 130.0(11) . . ?
C12I C11I Rh9 62.7(7) . . ?
C12I C11I C15I 108.0 . . ?
C12I C11I C16I 139.6(11) . . ?
C15I C11I Rh9 74.6(5) . . ?
C15I C11I C16I 111.9(10) . . ?
C16I C11I Rh9 122.8(13) . . ?
C11I C12I Rh9 78.8(7) . . ?
C11I C12I C17I 115.4(11) . . ?
C13I C12I Rh9 67.1(7) . . ?
C13I C12I C11I 108.0 . . ?
C13I C12I C17I 136.4(11) . . ?
C17I C12I Rh9 124.8(16) . . ?
C12I C13I Rh9 71.4(5) . . ?
C12I C13I C14I 108.0 . . ?
C12I C13I C18I 148.1(13) . . ?
C14I C13I Rh9 77.1(6) . . ?
C14I C13I C18I 103.8(13) . . ?
C18I C13I Rh9 119.2(19) . . ?
C13I C14I Rh9 63.1(7) . . ?
C13I C14I C18I 38.9(7) . . ?
C13I C14I C19I 140.0(15) . . ?
C15I C14I Rh9 77.6(6) . . ?
C15I C14I C13I 108.0 . . ?
C15I C14I C18I 146.8(7) . . ?
C15I C14I C19I 109.3(13) . . ?
C18I C14I Rh9 84.5(9) . . ?
C19I C14I Rh9 139.8(19) . . ?
C19I C14I C18I 102.5(12) . . ?
C11I C15I Rh9 69.1(5) . . ?
C11I C15I C19I 143.4(8) . . ?
C14I C15I Rh9 65.6(7) . . ?
C14I C15I C11I 108.0 . . ?
C14I C15I C19I 37.3(7) . . ?
C19I C15I Rh9 94.9(8) . . ?
C20I C15I Rh9 123.6(16) . . ?
C20I C15I C11I 129.9(12) . . ?
C20I C15I C14I 121.4(12) . . ?
C20I C15I C19I 86.5(9) . . ?
C13I C18I C14I 37.3(8) . . ?
C14I C19I C15I 33.5(7) . . ?
C20I C19I C14I 67.0(10) . . ?
C20I C19I C15I 34.7(5) . . ?
C15I C20I C19I 58.8(8) . . ?
C2J C1J Rh10 68.4(5) . . ?
C2J C1J C5J 106.0(8) . . ?
C2J C1J C6J 124.1(10) . . ?
C5J C1J Rh10 69.2(5) . . ?
C5J C1J C6J 129.9(9) . . ?
C6J C1J Rh10 126.7(7) . . ?
C1J C2J Rh10 73.0(5) . . ?
C1J C2J C3J 110.5(9) . . ?
C1J C2J C7J 121.6(11) . . ?
C3J C2J Rh10 72.1(5) . . ?
C3J C2J C7J 127.5(11) . . ?
C7J C2J Rh10 127.0(8) . . ?
C2J C3J Rh10 68.4(5) . . ?
C2J C3J C8J 129.9(13) . . ?
C4J C3J Rh10 70.3(5) . . ?
C4J C3J C2J 105.1(9) . . ?
C4J C3J C8J 124.9(13) . . ?
C8J C3J Rh10 126.0(9) . . ?
C3J C4J Rh10 71.5(5) . . ?
C3J C4J C5J 111.1(9) . . ?
C3J C4J C9J 121.9(10) . . ?
C5J C4J Rh10 70.7(5) . . ?
C5J C4J C9J 127.0(9) . . ?
C9J C4J Rh10 125.9(7) . . ?
C1J C5J Rh10 71.4(5) . . ?
C1J C5J C10J 127.5(10) . . ?
C4J C5J Rh10 70.9(5) . . ?
C4J C5J C1J 107.1(8) . . ?
C4J C5J C10J 124.6(11) . . ?
C10J C5J Rh10 130.7(8) . . ?
C2K C1K Rh11 72.74(18) . . ?
C2K C1K C6K 126.0 . . ?
C5K C1K Rh11 71.3(2) . . ?
C5K C1K C2K 108.0 . . ?
C5K C1K C6K 126.0 . . ?
C6K C1K Rh11 121.67(19) . . ?
C1K C2K Rh11 69.21(17) . . ?
C1K C2K C7K 126.0 . . ?
C3K C2K Rh11 72.9(2) . . ?
C3K C2K C1K 108.0 . . ?
C3K C2K C7K 126.0 . . ?
C7K C2K Rh11 123.50(19) . . ?
C2K C3K Rh11 69.80(19) . . ?
C2K C3K C8K 126.0 . . ?
C4K C3K Rh11 70.65(19) . . ?
C4K C3K C2K 108.0 . . ?
C4K C3K C8K 126.0 . . ?
C8K C3K Rh11 125.11(16) . . ?
C3K C4K Rh11 72.24(18) . . ?
C3K C4K C5K 108.0 . . ?
C3K C4K C9K 126.0 . . ?
C5K C4K Rh11 69.08(17) . . ?
C5K C4K C9K 126.0 . . ?
C9K C4K Rh11 124.30(18) . . ?
C1K C5K Rh11 70.3(2) . . ?
C1K C5K C4K 108.0 . . ?
C1K C5K C10K 126.0 . . ?
C4K C5K Rh11 73.18(19) . . ?
C4K C5K C10K 126.0 . . ?
C10K C5K Rh11 122.15(18) . . ?
C12K C11K Rh11 70.88(19) . . ?
C12K C11K C16K 126.0 . . ?
C15K C11K Rh11 69.2(2) . . ?
C15K C11K C12K 108.0 . . ?
C15K C11K C16K 126.0 . . ?
C16K C11K Rh11 125.43(18) . . ?
C11K C12K Rh11 71.41(18) . . ?
C11K C12K C13K 108.0 . . ?
C11K C12K C17K 126.0 . . ?
C13K C12K Rh11 68.99(19) . . ?
C13K C12K C17K 126.0 . . ?
C17K C12K Rh11 125.17(19) . . ?
C12K C13K Rh11 72.8(2) . . ?
C12K C13K C18K 126.0 . . ?
C14K C13K Rh11 69.6(2) . . ?
C14K C13K C12K 108.0 . . ?
C14K C13K C18K 126.0 . . ?
C18K C13K Rh11 123.24(17) . . ?
C13K C14K Rh11 71.5(2) . . ?
C13K C14K C19K 126.0 . . ?
C15K C14K Rh11 71.95(18) . . ?
C15K C14K C13K 108.0 . . ?
C15K C14K C19K 126.0 . . ?
C19K C14K Rh11 122.26(19) . . ?
C11K C15K Rh11 72.7(2) . . ?
C11K C15K C14K 108.0 . . ?
C11K C15K C20K 126.0 . . ?
C14K C15K Rh11 69.25(18) . . ?
C14K C15K C20K 126.0 . . ?
C20K C15K Rh11 123.65(19) . . ?
C2L C1L Rh12 70.9(8) . . ?
C2L C1L C5L 104.2(18) . . ?
C2L C1L C6L 116.6(18) . . ?
C5L C1L Rh12 71.0(10) . . ?
C5L C1L C6L 138(2) . . ?
C6L C1L Rh12 131.8(13) . . ?
C1L C2L Rh12 72.2(8) . . ?
C1L C2L C3L 106.9(12) . . ?
C1L C2L C7L 128.1(19) . . ?
C3L C2L Rh12 69.8(6) . . ?
C3L C2L C7L 124.9(18) . . ?
C7L C2L Rh12 126.9(10) . . ?
C2L C3L Rh12 68.1(6) . . ?
C2L C3L C8L 130.7(18) . . ?
C4L C3L Rh12 72.0(8) . . ?
C4L C3L C2L 103.3(14) . . ?
C4L C3L C8L 126(2) . . ?
C8L C3L Rh12 122.1(11) . . ?
C3L C4L Rh12 69.1(7) . . ?
C5L C4L Rh12 70.5(11) . . ?
C5L C4L C3L 104.5(16) . . ?
C5L C4L C9L 139(3) . . ?
C9L C4L Rh12 121.1(15) . . ?
C9L C4L C3L 116(3) . . ?
C1L C5L Rh12 72.1(10) . . ?
C1L C5L C10L 108(3) . . ?
C4L C5L Rh12 75.9(12) . . ?
C4L C5L C1L 121(2) . . ?
C4L C5L C10L 131(3) . . ?
C10L C5L Rh12 120.8(18) . . ?
N1 C1 N4 118.3(5) . . ?
N1 C1 C2 120.9(6) . . ?
N4 C1 C2 119.7(6) . . ?
N2 C2 N3 116.6(5) . . ?
N2 C2 C1 121.6(6) . . ?
N3 C2 C1 120.7(6) . . ?
N2 C3 C4 128.2(7) . . ?
N2 C3 C8 108.5(5) . . ?
C4 C3 C8 122.9(7) . . ?
C5 C4 C3 117.6(9) . . ?
C4 C5 C6 119.6(8) . . ?
C7 C6 C5 122.5(7) . . ?
C8 C7 C6 116.7(8) . . ?
N3 C8 C3 108.9(6) . . ?
C7 C8 N3 130.6(7) . . ?
C7 C8 C3 120.4(6) . . ?
N4 C9 C14 106.3(6) . . ?
C10 C9 N4 131.0(7) . . ?
C10 C9 C14 122.7(7) . . ?
C11 C10 C9 118.1(8) . . ?
C10 C11 C12 120.5(7) . . ?
C13 C12 C11 121.4(7) . . ?
C12 C13 C14 119.2(8) . . ?
N1 C14 C9 108.8(6) . . ?
N1 C14 C13 133.1(7) . . ?
C13 C14 C9 118.1(6) . . ?
N5 C15 N8 117.4(7) . . ?
N5 C15 C16 122.7(7) . . ?
N8 C15 C16 119.3(6) . . ?
N6 C16 C15 119.1(6) . . ?
N7 C16 N6 116.9(6) . . ?
N7 C16 C15 122.9(6) . . ?
N6 C17 C18 129.7(9) . . ?
N6 C17 C22 109.9(7) . . ?
C18 C17 C22 120.2(9) . . ?
C17 C18 C19 113.8(12) . . ?
C20 C19 C18 123.7(12) . . ?
C19 C20 C21 125.3(12) . . ?
C22 C21 C20 112.1(10) . . ?
C17 C22 N7 107.4(7) . . ?
C21 C22 N7 127.9(8) . . ?
C21 C22 C17 124.6(8) . . ?
C24 C23 N8 128.3(13) . . ?
C24 C23 C28 126.0(12) . . ?
C28 C23 N8 102.0(10) . . ?
C23 C24 C25 113.0(17) . . ?
C24 C25 C26 132(2) . . ?
C27 C26 C25 83(3) . . ?
C28 C27 C26 141(2) . . ?
N5 C28 C23 112.7(9) . . ?
C27 C28 N5 126.6(16) . . ?
C27 C28 C23 118.3(18) . . ?
N8 C23' C28' 114.0(12) . . ?
C24' C23' N8 136.1(11) . . ?
C24' C23' C28' 105.7(16) . . ?
C25' C24' C23' 125(2) . . ?
C24' C25' C26' 116(3) . . ?
C27' C26' C25' 126(2) . . ?
C28' C27' C26' 112(2) . . ?
C23' C28' N5 91.5(16) . . ?
C27' C28' N5 139(2) . . ?
C27' C28' C23' 129(2) . . ?
N9 C29 C30 119.2(5) . . ?
N12 C29 N9 117.9(6) . . ?
N12 C29 C30 121.9(5) . . ?
N10 C30 N11 121.0(6) . . ?
N10 C30 C29 120.3(6) . . ?
N11 C30 C29 117.5(5) . . ?
N10 C31 C36 109.2(6) . . ?
C32 C31 N10 131.0(7) . . ?
C32 C31 C36 119.8(8) . . ?
C33 C32 C31 117.7(8) . . ?
C34 C33 C32 121.7(9) . . ?
C33 C34 C35 125.2(10) . . ?
C36 C35 C34 112.6(8) . . ?
N11 C36 C31 106.5(6) . . ?
C35 C36 N11 130.6(7) . . ?
C35 C36 C31 122.8(7) . . ?
N12 C37 C42 107.8(6) . . ?
C38 C37 N12 132.7(6) . . ?
C38 C37 C42 119.3(7) . . ?
C39 C38 C37 119.9(7) . . ?
C38 C39 C40 122.9(8) . . ?
C41 C40 C39 119.6(8) . . ?
C40 C41 C42 117.0(7) . . ?
N9 C42 C37 108.8(6) . . ?
N9 C42 C41 129.5(6) . . ?
C41 C42 C37 121.3(7) . . ?
N13 C43 N16 118.3(5) . . ?
N13 C43 C44 121.8(6) . . ?
N16 C43 C44 119.6(6) . . ?
N14 C44 N15 118.2(5) . . ?
N14 C44 C43 120.8(5) . . ?
N15 C44 C43 120.5(6) . . ?
N14 C45 C46 131.7(7) . . ?
N14 C45 C50 107.6(5) . . ?
C50 C45 C46 120.7(6) . . ?
C47 C46 C45 116.3(8) . . ?
C46 C47 C48 121.9(8) . . ?
C49 C48 C47 119.5(8) . . ?
C48 C49 C50 121.3(9) . . ?
C45 C50 N15 107.5(5) . . ?
C49 C50 N15 132.2(7) . . ?
C49 C50 C45 120.1(7) . . ?
N16 C51 C56 105.4(5) . . ?
C52 C51 N16 132.5(6) . . ?
C52 C51 C56 122.1(6) . . ?
C53 C52 C51 117.7(7) . . ?
C52 C53 C54 121.0(7) . . ?
C53 C54 C55 123.0(7) . . ?
C54 C55 C56 117.2(7) . . ?
N13 C56 C51 108.8(5) . . ?
N13 C56 C55 132.2(6) . . ?
C55 C56 C51 119.1(5) . . ?
N17 C21I N20 121.3(6) . . ?
N17 C21I C58 120.4(6) . . ?
N20 C21I C58 117.9(6) . . ?
N18 C58 C21I 118.8(6) . . ?
N19 C58 N18 120.0(6) . . ?
N19 C58 C21I 120.7(6) . . ?
N18 C59 C60 127.7(8) . . ?
N18 C59 C64 108.9(6) . . ?
C64 C59 C60 123.5(7) . . ?
C59 C60 C61 114.8(9) . . ?
C60 C61 C62 120.2(10) . . ?
C63 C62 C61 120.7(10) . . ?
C62 C63 C64 120.5(11) . . ?
N19 C64 C59 108.3(7) . . ?
C63 C64 N19 131.5(9) . . ?
C63 C64 C59 120.2(8) . . ?
N20 C65 C66 131.9(8) . . ?
N20 C65 C70 109.5(6) . . ?
C66 C65 C70 118.6(7) . . ?
C67 C66 C65 118.4(9) . . ?
C66 C67 C68 121.7(9) . . ?
C69 C68 C67 121.9(9) . . ?
C68 C69 C70 115.5(8) . . ?
N17 C70 C65 106.9(6) . . ?
N17 C70 C69 129.4(7) . . ?
C69 C70 C65 123.7(7) . . ?
N21 C71 N24 118.4(8) . . ?
N21 C71 C72 120.7(7) . . ?
N24 C71 C72 120.5(8) . . ?
N22 C72 N23 115.6(9) . . ?
N22 C72 C71 121.4(8) . . ?
N23 C72 C71 122.7(7) . . ?
N22 C73 C74 131.6(9) . . ?
N22 C73 C78 109.8(8) . . ?
C74 C73 C78 118.6(10) . . ?
C75 C74 C73 119.2(11) . . ?
C74 C75 C76 122.5(13) . . ?
C77 C76 C75 119.1(12) . . ?
C78 C77 C76 114.1(10) . . ?
N23 C78 C73 106.2(8) . . ?
C77 C78 N23 127.4(9) . . ?
C77 C78 C73 126.4(10) . . ?
N24 C79 C80 136.6(8) . . ?
N24 C79 C84 106.4(7) . . ?
C80 C79 C84 116.9(9) . . ?
C81 C80 C79 120.8(10) . . ?
C80 C81 C82 123.7(12) . . ?
C83 C82 C81 118.1(13) . . ?
C82 C83 C84 121.8(11) . . ?
N21 C84 C79 106.7(8) . . ?
N21 C84 C83 134.8(8) . . ?
C83 C84 C79 118.4(9) . . ?
N25 C85 C86 124.6(6) . . ?
C85 C86 C87 118.7(6) . . ?
C86 C87 C90 120.0(5) . . ?
C88 C87 C86 117.6(6) . . ?
C88 C87 C90 122.4(6) . . ?
C87 C88 C89 119.5(6) . . ?
N25 C89 C88 121.8(6) . . ?
N26 C90 C87 117.3(5) . . ?
O1 C90 N26 123.4(6) . . ?
O1 C90 C87 119.3(6) . . ?
N26 C91 C92 112.2(5) . . ?
C93 C92 C91 121.2(6) . . ?
C97 C92 C91 120.6(6) . . ?
C97 C92 C93 118.2(7) . . ?
C94 C93 C92 121.2(7) . . ?
C93 C94 C95 120.9(7) . . ?
C94 C95 C98 120.1(7) . . ?
C96 C95 C94 117.7(8) . . ?
C96 C95 C98 122.2(7) . . ?
C95 C96 C97 121.6(7) . . ?
C92 C97 C96 120.4(7) . . ?
N27 C98 C95 112.1(7) . . ?
N27 C99 C102 116.4(7) . . ?
O2 C99 N27 123.4(8) . . ?
O2 C99 C102 120.1(8) . . ?
N28 C100 C101 121.7(8) . . ?
C102 C101 C100 120.9(7) . . ?
C101 C102 C99 118.0(7) . . ?
C101 C102 C103 116.6(7) . . ?
C103 C102 C99 125.4(7) . . ?
C104 C103 C102 119.6(8) . . ?
N28 C104 C103 123.6(7) . . ?
N29 C105 C106 124.2(7) . . ?
C105 C106 C107 118.5(6) . . ?
C106 C107 C110 123.4(6) . . ?
C108 C107 C106 117.3(6) . . ?
C108 C107 C110 119.1(6) . . ?
C107 C108 C109 120.1(7) . . ?
N29 C109 C108 121.8(6) . . ?
N30 C110 C107 117.1(6) . . ?
O3 C110 N30 123.1(7) . . ?
O3 C110 C107 119.7(6) . . ?
C112 C111 N30 113.1(6) . . ?
C113 C112 C111 123.0(6) . . ?
C117 C112 C111 120.9(6) . . ?
C117 C112 C113 116.0(6) . . ?
C114 C113 C112 121.6(6) . . ?
C113 C114 C115 122.3(7) . . ?
C114 C115 C118 121.0(7) . . ?
C116 C115 C114 117.4(7) . . ?
C116 C115 C118 121.6(6) . . ?
C115 C116 C117 119.9(6) . . ?
C112 C117 C116 122.8(7) . . ?
N31 C118 C115 114.0(6) . . ?
N31 C119 C122 116.9(7) . . ?
O4 C119 N31 122.8(7) . . ?
O4 C119 C122 120.2(7) . . ?
C121 C120 N32 123.0(7) . . ?
C120 C121 C122 118.4(7) . . ?
C121 C122 C119 117.1(7) . . ?
C123 C122 C119 123.8(7) . . ?
C123 C122 C121 119.1(7) . . ?
C122 C123 C124 119.9(7) . . ?
N32 C124 C123 122.1(7) . . ?
N33 C125 C126 122.0(7) . . ?
C127 C126 C125 119.1(6) . . ?
C126 C127 C128 119.8(6) . . ?
C126 C127 C130 119.1(6) . . ?
C128 C127 C130 121.1(6) . . ?
C129 C128 C127 117.3(7) . . ?
N33 C129 C128 122.3(6) . . ?
N34 C130 C127 116.3(6) . . ?
O5 C130 N34 124.1(6) . . ?
O5 C130 C127 119.6(6) . . ?
C132 C131 N34 114.5(6) . . ?
C131 C132 C133 121.0(7) . . ?
C137 C132 C131 124.2(6) . . ?
C137 C132 C133 114.8(7) . . ?
C134 C133 C132 121.0(7) . . ?
C133 C134 C135 122.6(7) . . ?
C134 C135 C136 116.8(8) . . ?
C134 C135 C138 122.4(7) . . ?
C136 C135 C138 120.8(8) . . ?
C137 C136 C135 120.4(8) . . ?
C136 C137 C132 124.1(7) . . ?
N35 C138 C135 112.3(7) . . ?
N35 C139 C142 119.5(8) . . ?
O6 C139 N35 121.1(8) . . ?
O6 C139 C142 119.4(7) . . ?
N36 C140 C141 123.7(7) . . ?
C140 C141 C142 119.1(8) . . ?
C141 C142 C139 119.0(7) . . ?
C143 C142 C139 125.9(7) . . ?
C143 C142 C141 115.1(8) . . ?
C142 C143 C144 121.8(7) . . ?
N36 C144 C143 121.7(7) . . ?
N37 C145 C146 122.7(6) . . ?
C147 C146 C145 118.8(7) . . ?
C146 C147 C148 119.7(7) . . ?
C146 C147 C150 116.5(7) . . ?
C148 C147 C150 123.6(6) . . ?
C147 C148 C149 118.3(6) . . ?
N37 C149 C148 121.0(7) . . ?
N38 C150 C147 118.7(7) . . ?
O7 C150 N38 120.6(8) . . ?
O7 C150 C147 120.6(6) . . ?
N38 C151 C152 114.3(6) . . ?
C153 C152 C151 121.0(7) . . ?
C157 C152 C151 123.4(8) . . ?
C157 C152 C153 115.7(8) . . ?
C154 C153 C152 122.6(7) . . ?
C155 C154 C153 120.2(8) . . ?
C154 C155 C156 118.6(8) . . ?
C154 C155 C158 121.2(7) . . ?
C156 C155 C158 120.2(6) . . ?
C155 C156 C157 121.8(7) . . ?
C152 C157 C156 121.0(8) . . ?
N39 C158 C155 111.5(6) . . ?
N39 C159 C162 116.4(5) . . ?
O8 C159 N39 124.1(6) . . ?
O8 C159 C162 119.4(6) . . ?
N40 C160 C161 124.3(6) . . ?
C162 C161 C160 117.6(6) . . ?
C161 C162 C159 119.5(5) . . ?
C163 C162 C159 121.5(6) . . ?
C163 C162 C161 119.0(6) . . ?
C162 C163 C164 119.7(7) . . ?
N40 C164 C163 121.6(6) . . ?
C166 C165 N41 121.3(7) . . ?
C165 C166 C167 119.4(7) . . ?
C166 C167 C170 116.9(6) . . ?
C168 C167 C166 118.7(7) . . ?
C168 C167 C170 124.2(7) . . ?
C167 C168 C169 119.5(7) . . ?
N41 C169 C168 122.3(7) . . ?
N42 C170 C167 117.4(6) . . ?
O9 C170 N42 123.4(7) . . ?
O9 C170 C167 119.2(6) . . ?
N42 C171 C172 113.2(7) . . ?
C173 C172 C171 122.2(6) . . ?
C173 C172 C177 117.9(7) . . ?
C177 C172 C171 119.9(7) . . ?
C172 C173 C174 121.8(6) . . ?
C173 C174 C175 119.4(7) . . ?
C174 C175 C178 118.5(6) . . ?
C176 C175 C174 117.9(6) . . ?
C176 C175 C178 123.6(5) . . ?
C177 C176 C175 120.9(6) . . ?
C176 C177 C172 122.0(7) . . ?
N43 C178 C175 111.5(5) . . ?
N43 C179 C182 116.0(6) . . ?
O10 C179 N43 123.6(6) . . ?
O10 C179 C182 120.2(6) . . ?
N44 C180 C181 120.9(7) . . ?
C182 C181 C180 120.4(7) . . ?
C181 C182 C179 120.3(6) . . ?
C183 C182 C179 121.8(7) . . ?
C183 C182 C181 117.7(6) . . ?
C182 C183 C184 118.8(7) . . ?
N44 C184 C183 123.3(8) . . ?
C186 C185 N45 123.0(10) . . ?
C185 C186 C187 118.7(9) . . ?
C186 C187 C190 116.1(8) . . ?
C188 C187 C186 120.9(9) . . ?
C188 C187 C190 122.9(9) . . ?
C187 C188 C189 116.8(10) . . ?
N45 C189 C188 124.3(9) . . ?
N46 C190 C187 117.2(7) . . ?
O11 C190 N46 124.3(8) . . ?
O11 C190 C187 118.4(8) . . ?
N46 C191 C192 113.7(6) . . ?
C193 C192 C191 119.9(7) . . ?
C193 C192 C197 119.0(7) . . ?
C197 C192 C191 120.9(6) . . ?
C192 C193 C194 119.4(7) . . ?
C195 C194 C193 119.9(6) . . ?
C194 C195 C196 118.0(6) . . ?
C194 C195 C198 119.0(5) . . ?
C196 C195 C198 123.0(6) . . ?
C197 C196 C195 121.0(6) . . ?
C196 C197 C192 122.5(6) . . ?
N47 C198 C195 111.4(6) . . ?
N47 C199 C202 116.7(5) . . ?
O12 C199 N47 124.4(6) . . ?
O12 C199 C202 118.6(5) . . ?
N48 C200 C201 122.6(5) . . ?
C200 C201 C202 120.1(6) . . ?
C201 C202 C199 121.0(6) . . ?
C201 C202 C203 117.1(6) . . ?
C203 C202 C199 121.8(5) . . ?
C202 C203 C204 120.2(5) . . ?
N48 C204 C203 121.7(6) . . ?
O13 S1 O15 112.5(11) . . ?
O13 S1 C325 103.5(9) . . ?
O14 S1 O13 109.9(9) . . ?
O14 S1 O15 121.7(9) . . ?
O14 S1 C325 102.9(9) . . ?
O15 S1 C325 104.0(8) . . ?
O16 S2 C326 102.9(5) . . ?
O17 S2 O16 115.4(4) . . ?
O17 S2 C326 97.7(4) . . ?
O18 S2 O16 118.1(5) . . ?
O18 S2 O17 114.3(5) . . ?
O18 S2 C326 104.5(4) . . ?
O19 S3 O21 117.7(5) . . ?
O19 S3 C327 105.0(5) . . ?
O20 S3 O19 113.1(5) . . ?
O20 S3 O21 110.2(7) . . ?
O20 S3 C327 103.5(6) . . ?
O21 S3 C327 105.9(6) . . ?
O22 S4 O23 112.7(5) . . ?
O22 S4 C328 103.6(4) . . ?
O23 S4 C328 100.7(6) . . ?
O24 S4 O22 127.2(7) . . ?
O24 S4 O23 107.7(8) . . ?
O24 S4 C328 100.7(7) . . ?
O25 S5 C329 100.9(5) . . ?
O26 S5 O25 116.7(7) . . ?
O26 S5 C329 99.2(7) . . ?
O27 S5 O25 119.0(6) . . ?
O27 S5 O26 112.6(7) . . ?
O27 S5 C329 104.5(5) . . ?
O28 S6 C330 104.3(5) . . ?
O29 S6 O28 113.5(7) . . ?
O29 S6 C330 104.0(5) . . ?
O30 S6 O28 125.1(8) . . ?
O30 S6 O29 105.9(9) . . ?
O30 S6 C330 101.4(7) . . ?
O31 S7 O32 117.1(6) . . ?
O31 S7 C331 101.9(7) . . ?
O32 S7 C331 103.2(8) . . ?
O33 S7 O31 116.7(5) . . ?
O33 S7 O32 113.8(6) . . ?
O33 S7 C331 100.7(7) . . ?
O34 S8 C332 102.1(7) . . ?
O34 S8 O35 110.7(8) . . ?
O34 S8 O36 118.5(8) . . ?
O35 S8 C332 102.8(10) . . ?
O36 S8 C332 103.5(9) . . ?
O36 S8 O35 116.4(10) . . ?
F1 C325 S1 112.0(14) . . ?
F1 C325 F2 115.7(19) . . ?
F1 C325 F3 127(3) . . ?
F2 C325 S1 116.0(14) . . ?
F2 C325 F3 80.1(18) . . ?
F3 C325 S1 102.2(18) . . ?
F4 C326 S2 119.6(7) . . ?
F4 C326 F5 106.8(9) . . ?
F4 C326 F6 110.6(8) . . ?
F5 C326 S2 109.0(6) . . ?
F6 C326 S2 109.8(7) . . ?
F6 C326 F5 98.9(8) . . ?
F7 C327 S3 112.9(8) . . ?
F8 C327 S3 115.4(9) . . ?
F8 C327 F7 103.4(10) . . ?
F8 C327 F9 103.7(10) . . ?
F9 C327 S3 110.9(9) . . ?
F9 C327 F7 110.0(11) . . ?
F10 C328 S4 111.8(7) . . ?
F10 C328 F11 107.0(10) . . ?
F10 C328 F12 105.5(12) . . ?
F11 C328 S4 109.1(8) . . ?
F12 C328 S4 114.5(9) . . ?
F12 C328 F11 108.7(8) . . ?
F13 C329 S5 117.0(7) . . ?
F13 C329 F14 106.1(10) . . ?
F13 C329 F15 103.8(9) . . ?
F14 C329 S5 110.4(8) . . ?
F14 C329 F15 109.9(8) . . ?
F15 C329 S5 109.3(8) . . ?
F16 C330 S6 112.7(8) . . ?
F16 C330 F17 102.7(10) . . ?
F16 C330 F18 107.1(9) . . ?
F17 C330 S6 111.5(7) . . ?
F17 C330 F18 105.4(10) . . ?
F18 C330 S6 116.3(8) . . ?
F19 C331 S7 112.3(13) . . ?
F19 C331 F20 111.5(14) . . ?
F19 C331 F21 105.8(17) . . ?
F20 C331 S7 102.9(15) . . ?
F21 C331 S7 109.8(12) . . ?
F21 C331 F20 114.6(15) . . ?
F22 C332 S8 108.1(16) . . ?
F22 C332 F23 109.3(14) . . ?
F23 C332 S8 110.1(13) . . ?
F24 C332 S8 113.0(11) . . ?
F24 C332 F22 106.0(15) . . ?
F24 C332 F23 110.2(19) . . ?
F22' C432 F23' 92.5(16) . . ?
F24' C432 F22' 120.0(17) . . ?
F24' C432 F23' 146(2) . . ?
C325 F2 F3 50.5(14) . . ?
C325 F3 F2 49.4(12) . . ?
O34' S8' O35' 113.6(13) . . ?
O36' S8' O34' 112(2) . . ?
O36' S8' O35' 123.7(17) . . ?
C340 O55 K2 116.1(8) . . ?
C339 O56 K2 111.7(8) . . ?

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
Rh1 N1 C1 N4 176.1(4) . . . . ?
Rh1 N1 C1 C2 8.4(7) . . . . ?
Rh1 N1 C14 C9 -171.5(6) . . . . ?
Rh1 N1 C14 C13 4.9(16) . . . . ?
Rh1 N2 C2 N3 177.1(4) . . . . ?
Rh1 N2 C2 C1 -15.1(7) . . . . ?
Rh1 N2 C3 C4 10.0(15) . . . . ?
Rh1 N2 C3 C8 -177.0(7) . . . . ?
Rh1 N36 C140 C141 -178.2(7) . . . . ?
Rh1 N36 C144 C143 176.1(6) . . . . ?
Rh1 C1A C2A C3A 60.2(7) . . . . ?
Rh1 C1A C2A C7A -120.3(10) . . . . ?
Rh1 C1A C5A C4A -63.2(5) . . . . ?
Rh1 C1A C5A C10A 122.0(9) . . . . ?
Rh1 C2A C3A C4A 62.2(7) . . . . ?
Rh1 C2A C3A C8A -122.9(13) . . . . ?
Rh1 C3A C4A C5A 59.3(6) . . . . ?
Rh1 C3A C4A C9A -123.0(10) . . . . ?
Rh1 C4A C5A C1A 63.8(5) . . . . ?
Rh1 C4A C5A C10A -122.0(11) . . . . ?
Rh2 N3 C2 N2 174.5(4) . . . . ?
Rh2 N3 C2 C1 6.6(7) . . . . ?
Rh2 N3 C8 C3 -168.7(6) . . . . ?
Rh2 N3 C8 C7 8.7(14) . . . . ?
Rh2 N4 C1 N1 179.2(4) . . . . ?
Rh2 N4 C1 C2 -12.9(7) . . . . ?
Rh2 N4 C9 C10 3.4(13) . . . . ?
Rh2 N4 C9 C14 179.8(6) . . . . ?
Rh2 N25 C85 C86 -178.6(6) . . . . ?
Rh2 N25 C89 C88 176.6(5) . . . . ?
Rh2 C1B C2B C3B 63.4(6) . . . . ?
Rh2 C1B C2B C7B -121.7(9) . . . . ?
Rh2 C1B C5B C4B -57.9(5) . . . . ?
Rh2 C1B C5B C10B 121.3(9) . . . . ?
Rh2 C2B C3B C4B 57.9(5) . . . . ?
Rh2 C2B C3B C8B -118.9(9) . . . . ?
Rh2 C3B C4B C5B 65.1(5) . . . . ?
Rh2 C3B C4B C9B -118.2(8) . . . . ?
Rh2 C4B C5B C1B 59.3(5) . . . . ?
Rh2 C4B C5B C10B -119.9(8) . . . . ?
Rh3 N5 C15 N8 176.1(5) . . . . ?
Rh3 N5 C15 C16 -12.8(9) . . . . ?
Rh3 N5 C28 C23 -176.9(11) . . . . ?
Rh3 N5 C28 C27 21(4) . . . . ?
Rh3 N5 C28' C23' -180.0(7) . . . . ?
Rh3 N5 C28' C27' -6(4) . . . . ?
Rh3 N6 C16 N7 174.5(5) . . . . ?
Rh3 N6 C16 C15 6.1(8) . . . . ?
Rh3 N6 C17 C18 5.6(19) . . . . ?
Rh3 N6 C17 C22 -169.5(8) . . . . ?
Rh3 N28 C100 C101 -176.2(6) . . . . ?
Rh3 N28 C104 C103 173.2(6) . . . . ?
Rh3 C1C C2C C3C 60.9(8) . . . . ?
Rh3 C1C C2C C7C -115.2(13) . . . . ?
Rh3 C1C C5C C4C -60.1(7) . . . . ?
Rh3 C1C C5C C10C 120.6(14) . . . . ?
Rh3 C2C C3C C4C 61.8(9) . . . . ?
Rh3 C2C C3C C8C -119.7(13) . . . . ?
Rh3 C3C C4C C5C 61.6(6) . . . . ?
Rh3 C3C C4C C9C -123.2(15) . . . . ?
Rh3 C4C C5C C1C 61.3(8) . . . . ?
Rh3 C4C C5C C10C -119.3(11) . . . . ?
Rh4 N7 C16 N6 175.9(5) . . . . ?
Rh4 N7 C16 C15 -16.3(8) . . . . ?
Rh4 N7 C22 C17 -172.9(8) . . . . ?
Rh4 N7 C22 C21 11.0(17) . . . . ?
Rh4 N8 C15 N5 176.8(6) . . . . ?
Rh4 N8 C15 C16 5.4(8) . . . . ?
Rh4 N8 C23 C24 24(3) . . . . ?
Rh4 N8 C23 C28 -177.3(10) . . . . ?
Rh4 N8 C23' C24' -8(2) . . . . ?
Rh4 N8 C23' C28' -160.6(13) . . . . ?
Rh4 N29 C105 C106 178.3(5) . . . . ?
Rh4 N29 C109 C108 -179.0(5) . . . . ?
Rh4 C1D C2D C3D 58.1(6) . . . . ?
Rh4 C1D C2D C7D -122.4(9) . . . . ?
Rh4 C1D C5D C4D -61.7(7) . . . . ?
Rh4 C1D C5D C10D 121.1(10) . . . . ?
Rh4 C2D C3D C4D 63.3(6) . . . . ?
Rh4 C2D C3D C8D -118.2(9) . . . . ?
Rh4 C3D C4D C5D 60.3(6) . . . . ?
Rh4 C3D C4D C9D -119.8(10) . . . . ?
Rh4 C4D C5D C1D 61.4(7) . . . . ?
Rh4 C4D C5D C10D -121.6(12) . . . . ?
Rh5 N9 C29 N12 177.3(4) . . . . ?
Rh5 N9 C29 C30 -13.7(7) . . . . ?
Rh5 N9 C42 C37 -175.7(6) . . . . ?
Rh5 N9 C42 C41 11.3(15) . . . . ?
Rh5 N10 C30 N11 174.2(5) . . . . ?
Rh5 N10 C30 C29 6.8(8) . . . . ?
Rh5 N10 C31 C32 8.5(16) . . . . ?
Rh5 N10 C31 C36 -169.1(7) . . . . ?
Rh5 N32 C120 C121 -176.6(6) . . . . ?
Rh5 N32 C124 C123 175.5(5) . . . . ?
Rh5 C1E C2E C3E 59.9(6) . . . . ?
Rh5 C1E C2E C7E -120.4(8) . . . . ?
Rh5 C1E C5E C4E -63.5(6) . . . . ?
Rh5 C1E C5E C10E 123.3(11) . . . . ?
Rh5 C2E C3E C4E 63.3(6) . . . . ?
Rh5 C2E C3E C8E -124.0(10) . . . . ?
Rh5 C3E C4E C5E 57.8(6) . . . . ?
Rh5 C3E C4E C9E -119.8(10) . . . . ?
Rh5 C4E C5E C1E 62.8(5) . . . . ?
Rh5 C4E C5E C10E -123.8(10) . . . . ?
Rh6 N11 C30 N10 177.3(5) . . . . ?
Rh6 N11 C30 C29 -15.0(7) . . . . ?
Rh6 N11 C36 C31 -175.3(7) . . . . ?
Rh6 N11 C36 C35 7.2(15) . . . . ?
Rh6 N12 C29 N9 175.8(4) . . . . ?
Rh6 N12 C29 C30 7.2(7) . . . . ?
Rh6 N12 C37 C38 2.7(15) . . . . ?
Rh6 N12 C37 C42 -172.0(6) . . . . ?
Rh6 N33 C125 C126 179.3(5) . . . . ?
Rh6 N33 C129 C128 177.6(5) . . . . ?
Rh6 C1F C2F C3F 63.9(5) . . . . ?
Rh6 C1F C2F C7F -118.6(7) . . . . ?
Rh6 C1F C5F C4F -61.3(5) . . . . ?
Rh6 C1F C5F C10F 121.2(8) . . . . ?
Rh6 C2F C3F C4F 59.2(5) . . . . ?
Rh6 C2F C3F C8F -121.9(8) . . . . ?
Rh6 C3F C4F C5F 60.5(5) . . . . ?
Rh6 C3F C4F C9F -122.2(9) . . . . ?
Rh6 C4F C5F C1F 62.3(5) . . . . ?
Rh6 C4F C5F C10F -120.2(8) . . . . ?
Rh7 N13 C43 N16 177.2(5) . . . . ?
Rh7 N13 C43 C44 -9.5(7) . . . . ?
Rh7 N13 C56 C51 -173.5(6) . . . . ?
Rh7 N13 C56 C55 7.9(13) . . . . ?
Rh7 N14 C44 N15 -174.9(5) . . . . ?
Rh7 N14 C44 C43 14.0(7) . . . . ?
Rh7 N14 C45 C46 -13.8(15) . . . . ?
Rh7 N14 C45 C50 169.6(6) . . . . ?
Rh7 N48 C200 C201 176.3(5) . . . . ?
Rh7 N48 C204 C203 -174.9(5) . . . . ?
Rh7 C1G C2G C3G 60.5(4) . . . . ?
Rh7 C1G C2G C7G -123.9(8) . . . . ?
Rh7 C1G C5G C4G -62.8(5) . . . . ?
Rh7 C1G C5G C10G 124.0(7) . . . . ?
Rh7 C2G C3G C4G 63.2(5) . . . . ?
Rh7 C2G C3G C8G -118.8(7) . . . . ?
Rh7 C3G C4G C5G 58.2(5) . . . . ?
Rh7 C3G C4G C9G -120.0(8) . . . . ?
Rh7 C4G C5G C1G 62.7(5) . . . . ?
Rh7 C4G C5G C10G -125.2(9) . . . . ?
Rh8 N15 C44 N14 178.8(5) . . . . ?
Rh8 N15 C44 C43 -10.0(7) . . . . ?
Rh8 N15 C50 C45 -176.5(7) . . . . ?
Rh8 N15 C50 C49 8.6(16) . . . . ?
Rh8 N16 C43 N13 -175.0(5) . . . . ?
Rh8 N16 C43 C44 11.6(7) . . . . ?
Rh8 N16 C51 C52 -11.3(13) . . . . ?
Rh8 N16 C51 C56 171.0(6) . . . . ?
Rh8 N37 C145 C146 -173.6(5) . . . . ?
Rh8 N37 C149 C148 175.4(5) . . . . ?
Rh8 C1H C2H C3H 62.3(5) . . . . ?
Rh8 C1H C2H C7H -126.7(9) . . . . ?
Rh8 C1H C5H C4H -61.3(6) . . . . ?
Rh8 C1H C5H C10H 121.5(9) . . . . ?
Rh8 C2H C3H C4H 61.7(6) . . . . ?
Rh8 C2H C3H C8H -120.2(10) . . . . ?
Rh8 C3H C4H C5H 60.9(6) . . . . ?
Rh8 C3H C4H C9H -124.2(10) . . . . ?
Rh8 C4H C5H C1H 62.2(6) . . . . ?
Rh8 C4H C5H C10H -120.7(9) . . . . ?
Rh9 N17 C21I N20 176.5(5) . . . . ?
Rh9 N17 C21I C58 -11.3(7) . . . . ?
Rh9 N17 C70 C65 -174.0(6) . . . . ?
Rh9 N17 C70 C69 6.5(14) . . . . ?
Rh9 N18 C58 N19 -175.8(4) . . . . ?
Rh9 N18 C58 C21I 12.1(6) . . . . ?
Rh9 N18 C59 C60 -7.5(14) . . . . ?
Rh9 N18 C59 C64 173.1(7) . . . . ?
Rh9 N40 C160 C161 -179.1(6) . . . . ?
Rh9 N40 C164 C163 -176.6(6) . . . . ?
Rh9 C1I C2I C3I 63.1(7) . . . . ?
Rh9 C1I C2I C7I -117.6(10) . . . . ?
Rh9 C1I C5I C4I -60.2(6) . . . . ?
Rh9 C1I C5I C10I 124.0(11) . . . . ?
Rh9 C2I C3I C4I 58.7(7) . . . . ?
Rh9 C2I C3I C8I -123.0(9) . . . . ?
Rh9 C3I C4I C5I 62.3(6) . . . . ?
Rh9 C3I C4I C9I -117.5(10) . . . . ?
Rh9 C4I C5I C1I 62.2(6) . . . . ?
Rh9 C4I C5I C10I -122.5(12) . . . . ?
Rh9 C11I C12I C13I -61.3(7) . . . . ?
Rh9 C11I C12I C17I 123.3(19) . . . . ?
Rh9 C11I C15I C14I 53.9(8) . . . . ?
Rh9 C11I C15I C19I 68.9(18) . . . . ?
Rh9 C11I C15I C20I -117(2) . . . . ?
Rh9 C12I C13I C14I -69.0(7) . . . . ?
Rh9 C12I C13I C18I 116(4) . . . . ?
Rh9 C13I C14I C15I -65.2(6) . . . . ?
Rh9 C13I C14I C18I 117(2) . . . . ?
Rh9 C13I C14I C19I 137(3) . . . . ?
Rh9 C13I C18I C14I -82.7(12) . . . . ?
Rh9 C14I C15I C11I -56.0(6) . . . . ?
Rh9 C14I C15I C19I 139(2) . . . . ?
Rh9 C14I C15I C20I 115.8(18) . . . . ?
Rh9 C14I C19I C15I -93(2) . . . . ?
Rh9 C14I C19I C20I -82(2) . . . . ?
Rh9 C15I C20I C19I 93.6(12) . . . . ?
Rh10 N19 C58 N18 177.9(4) . . . . ?
Rh10 N19 C58 C21I -10.2(7) . . . . ?
Rh10 N19 C64 C59 -177.6(7) . . . . ?
Rh10 N19 C64 C63 3.8(16) . . . . ?
Rh10 N20 C21I N17 -176.8(4) . . . . ?
Rh10 N20 C21I C58 10.8(7) . . . . ?
Rh10 N20 C65 C66 -6.5(17) . . . . ?
Rh10 N20 C65 C70 173.0(7) . . . . ?
Rh10 N41 C165 C166 -171.4(7) . . . . ?
Rh10 N41 C169 C168 172.9(6) . . . . ?
Rh10 C1J C2J C3J 62.8(7) . . . . ?
Rh10 C1J C2J C7J -123.4(10) . . . . ?
Rh10 C1J C5J C4J -62.3(6) . . . . ?
Rh10 C1J C5J C10J 127.6(10) . . . . ?
Rh10 C2J C3J C4J 61.2(6) . . . . ?
Rh10 C2J C3J C8J -119.6(12) . . . . ?
Rh10 C3J C4J C5J 59.8(6) . . . . ?
Rh10 C3J C4J C9J -121.4(9) . . . . ?
Rh10 C4J C5J C1J 62.6(6) . . . . ?
Rh10 C4J C5J C10J -126.9(10) . . . . ?
Rh11 N21 C71 N24 176.1(5) . . . . ?
Rh11 N21 C71 C72 -11.2(9) . . . . ?
Rh11 N21 C84 C79 -170.7(7) . . . . ?
Rh11 N21 C84 C83 11.7(18) . . . . ?
Rh11 N22 C72 N23 -175.1(5) . . . . ?
Rh11 N22 C72 C71 11.3(9) . . . . ?
Rh11 N22 C73 C74 -9.8(18) . . . . ?
Rh11 N22 C73 C78 172.7(8) . . . . ?
Rh11 N44 C180 C181 178.5(5) . . . . ?
Rh11 N44 C184 C183 -176.9(6) . . . . ?
Rh11 C1K C2K C3K 63.0(2) . . . . ?
Rh11 C1K C2K C7K -117.0(2) . . . . ?
Rh11 C1K C5K C4K -63.94(19) . . . . ?
Rh11 C1K C5K C10K 116.04(19) . . . . ?
Rh11 C2K C3K C4K 60.62(18) . . . . ?
Rh11 C2K C3K C8K -119.36(18) . . . . ?
Rh11 C3K C4K C5K 60.11(19) . . . . ?
Rh11 C3K C4K C9K -119.91(18) . . . . ?
Rh11 C4K C5K C1K 62.1(2) . . . . ?
Rh11 C4K C5K C10K -117.9(2) . . . . ?
Rh11 C11K C12K C13K 59.5(2) . . . . ?
Rh11 C11K C12K C17K -120.5(2) . . . . ?
Rh11 C11K C15K C14K -60.58(19) . . . . ?
Rh11 C11K C15K C20K 119.44(18) . . . . ?
Rh11 C12K C13K C14K 61.1(2) . . . . ?
Rh11 C12K C13K C18K -119.0(2) . . . . ?
Rh11 C13K C14K C15K 63.10(19) . . . . ?
Rh11 C13K C14K C19K -116.90(19) . . . . ?
Rh11 C14K C15K C11K 62.8(2) . . . . ?
Rh11 C14K C15K C20K -117.2(2) . . . . ?
Rh12 N23 C72 N22 176.9(5) . . . . ?
Rh12 N23 C72 C71 -9.7(9) . . . . ?
Rh12 N23 C78 C73 -175.9(8) . . . . ?
Rh12 N23 C78 C77 4.8(18) . . . . ?
Rh12 N24 C71 N21 -176.8(6) . . . . ?
Rh12 N24 C71 C72 10.5(9) . . . . ?
Rh12 N24 C79 C80 -7.6(19) . . . . ?
Rh12 N24 C79 C84 171.5(8) . . . . ?
Rh12 N45 C185 C186 -170.0(7) . . . . ?
Rh12 N45 C189 C188 170.9(6) . . . . ?
Rh12 C1L C2L C3L 61.6(7) . . . . ?
Rh12 C1L C2L C7L -123.3(14) . . . . ?
Rh12 C1L C5L C4L -60.4(16) . . . . ?
Rh12 C1L C5L C10L 117.5(16) . . . . ?
Rh12 C2L C3L C4L 64.0(8) . . . . ?
Rh12 C2L C3L C8L -114.1(15) . . . . ?
Rh12 C3L C4L C5L 62.1(12) . . . . ?
Rh12 C3L C4L C9L -115.4(17) . . . . ?
Rh12 C4L C5L C1L 58.5(15) . . . . ?
Rh12 C4L C5L C10L -119(2) . . . . ?
K1 O1 C90 N26 3(3) . . . . ?
K1 O1 C90 C87 -176.4(16) . . . . ?
K1 O3 C110 N30 15(2) . . . . ?
K1 O3 C110 C107 -167.7(12) . . . . ?
K1 O5 C130 N34 -1(2) . . . . ?
K1 O5 C130 C127 177.7(11) . . . . ?
K1 O8 C159 N39 -7(2) . . . . ?
K1 O8 C159 C162 176.7(14) . . . . ?
K1 O10 C179 N43 -1.3(18) . . . . ?
K1 O10 C179 C182 -176.5(10) . . . . ?
K1 O12 C199 N47 -8.2(15) . . . . ?
K1 O12 C199 C202 178.7(8) . . . . ?
K2 O2 C99 N27 100(3) . . . . ?
K2 O2 C99 C102 -82(3) . . . . ?
K2 O4 C119 N31 92(2) . . . . ?
K2 O4 C119 C122 -91(2) . . . . ?
K2 O13 S1 O14 124.7(10) . . . . ?
K2 O13 S1 O15 -14.4(11) . . . . ?
K2 O13 S1 C325 -126.0(8) . . . . ?
N1 C1 C2 N2 4.8(9) . . . . ?
N1 C1 C2 N3 172.1(6) . . . . ?
N2 C3 C4 C5 171.0(9) . . . . ?
N2 C3 C8 N3 1.2(7) . . . . ?
N2 C3 C8 C7 -176.5(7) . . . . ?
N4 C1 C2 N2 -162.7(6) . . . . ?
N4 C1 C2 N3 4.6(9) . . . . ?
N4 C9 C10 C11 176.8(8) . . . . ?
N4 C9 C14 N1 -0.1(8) . . . . ?
N4 C9 C14 C13 -177.1(7) . . . . ?
N5 C15 C16 N6 4.8(11) . . . . ?
N5 C15 C16 N7 -162.8(7) . . . . ?
N6 C17 C18 C19 -179.7(11) . . . . ?
N6 C17 C22 N7 0.7(10) . . . . ?
N6 C17 C22 C21 177.0(9) . . . . ?
N8 C15 C16 N6 175.7(7) . . . . ?
N8 C15 C16 N7 8.1(11) . . . . ?
N8 C23 C24 C25 170(2) . . . . ?
N8 C23 C28 N5 13.2(17) . . . . ?
N8 C23 C28 C27 176.7(17) . . . . ?
N8 C23' C24' C25' -168(2) . . . . ?
N8 C23' C28' N5 -12.0(16) . . . . ?
N8 C23' C28' C27' 173(2) . . . . ?
N9 C29 C30 N10 4.8(9) . . . . ?
N9 C29 C30 N11 -162.9(6) . . . . ?
N10 C31 C32 C33 -175.5(9) . . . . ?
N10 C31 C36 N11 -0.5(8) . . . . ?
N10 C31 C36 C35 177.2(7) . . . . ?
N12 C29 C30 N10 173.3(6) . . . . ?
N12 C29 C30 N11 5.5(9) . . . . ?
N12 C37 C38 C39 -172.3(10) . . . . ?
N12 C37 C42 N9 0.0(8) . . . . ?
N12 C37 C42 C41 173.7(7) . . . . ?
N13 C43 C44 N14 -3.2(10) . . . . ?
N13 C43 C44 N15 -174.1(6) . . . . ?
N14 C45 C46 C47 -175.0(8) . . . . ?
N14 C45 C50 N15 0.6(8) . . . . ?
N14 C45 C50 C49 176.2(8) . . . . ?
N16 C43 C44 N14 170.0(6) . . . . ?
N16 C43 C44 N15 -0.9(9) . . . . ?
N16 C51 C52 C53 -178.6(7) . . . . ?
N16 C51 C56 N13 -1.1(6) . . . . ?
N16 C51 C56 C55 177.7(6) . . . . ?
N17 C21I C58 N18 -0.8(8) . . . . ?
N17 C21I C58 N19 -172.8(6) . . . . ?
N18 C59 C60 C61 -176.9(8) . . . . ?
N18 C59 C64 N19 1.0(8) . . . . ?
N18 C59 C64 C63 179.9(8) . . . . ?
N20 C21I C58 N18 171.7(6) . . . . ?
N20 C21I C58 N19 -0.3(8) . . . . ?
N20 C65 C66 C67 175.7(10) . . . . ?
N20 C65 C70 N17 2.8(8) . . . . ?
N20 C65 C70 C69 -177.5(8) . . . . ?
N21 C71 C72 N22 -0.1(12) . . . . ?
N21 C71 C72 N23 -173.2(7) . . . . ?
N22 C73 C74 C75 -178.1(10) . . . . ?
N22 C73 C78 N23 -0.1(10) . . . . ?
N22 C73 C78 C77 179.2(9) . . . . ?
N24 C71 C72 N22 172.4(7) . . . . ?
N24 C71 C72 N23 -0.7(12) . . . . ?
N24 C79 C80 C81 177.9(12) . . . . ?
N24 C79 C84 N21 -0.5(9) . . . . ?
N24 C79 C84 C83 177.6(9) . . . . ?
N25 C85 C86 C87 -0.1(11) . . . . ?
N26 C91 C92 C93 -54.4(8) . . . . ?
N26 C91 C92 C97 124.6(6) . . . . ?
N27 C99 C102 C101 -157.6(8) . . . . ?
N27 C99 C102 C103 23.7(12) . . . . ?
N28 C100 C101 C102 0.6(12) . . . . ?
N29 C105 C106 C107 0.5(11) . . . . ?
N30 C111 C112 C113 -56.0(9) . . . . ?
N30 C111 C112 C117 128.1(7) . . . . ?
N31 C119 C122 C121 -153.9(7) . . . . ?
N31 C119 C122 C123 28.7(10) . . . . ?
N32 C120 C121 C122 0.0(11) . . . . ?
N33 C125 C126 C127 2.5(9) . . . . ?
N34 C131 C132 C133 -55.2(10) . . . . ?
N34 C131 C132 C137 123.6(8) . . . . ?
N35 C139 C142 C141 -156.3(9) . . . . ?
N35 C139 C142 C143 26.1(14) . . . . ?
N36 C140 C141 C142 2.4(13) . . . . ?
N37 C145 C146 C147 -1.8(11) . . . . ?
N38 C151 C152 C153 -155.8(7) . . . . ?
N38 C151 C152 C157 24.3(10) . . . . ?
N39 C159 C162 C161 159.5(7) . . . . ?
N39 C159 C162 C163 -22.8(11) . . . . ?
N40 C160 C161 C162 -2.2(12) . . . . ?
N41 C165 C166 C167 -3.1(13) . . . . ?
N42 C171 C172 C173 28.7(10) . . . . ?
N42 C171 C172 C177 -153.2(6) . . . . ?
N43 C179 C182 C181 160.8(6) . . . . ?
N43 C179 C182 C183 -24.0(9) . . . . ?
N44 C180 C181 C182 0.1(10) . . . . ?
N45 C185 C186 C187 -5.2(13) . . . . ?
N46 C191 C192 C193 26.5(12) . . . . ?
N46 C191 C192 C197 -159.2(8) . . . . ?
N47 C199 C202 C201 157.0(6) . . . . ?
N47 C199 C202 C203 -25.9(8) . . . . ?
N48 C200 C201 C202 1.7(10) . . . . ?
O2 C99 C102 C101 24.3(12) . . . . ?
O2 C99 C102 C103 -154.4(9) . . . . ?
O4 C119 C122 C121 28.9(10) . . . . ?
O4 C119 C122 C123 -148.5(7) . . . . ?
O6 C139 C142 C141 24.1(13) . . . . ?
O6 C139 C142 C143 -153.4(9) . . . . ?
O8 C159 C162 C161 -24.3(11) . . . . ?
O8 C159 C162 C163 153.3(8) . . . . ?
O10 C179 C182 C181 -23.7(9) . . . . ?
O10 C179 C182 C183 151.5(7) . . . . ?
O12 C199 C202 C201 -29.3(9) . . . . ?
O12 C199 C202 C203 147.8(6) . . . . ?
O13 S1 C325 F1 -68.1(16) . . . . ?
O13 S1 C325 F2 67.8(17) . . . . ?
O13 S1 C325 F3 153(2) . . . . ?
O14 S1 C325 F1 46.4(16) . . . . ?
O14 S1 C325 F2 -177.7(15) . . . . ?
O14 S1 C325 F3 -93(2) . . . . ?
O15 S1 C325 F1 174.2(15) . . . . ?
O15 S1 C325 F2 -49.9(18) . . . . ?
O15 S1 C325 F3 35(2) . . . . ?
O16 S2 C326 F4 -64.5(9) . . . . ?
O16 S2 C326 F5 58.7(7) . . . . ?
O16 S2 C326 F6 166.1(7) . . . . ?
O17 S2 C326 F4 53.9(9) . . . . ?
O17 S2 C326 F5 177.0(6) . . . . ?
O17 S2 C326 F6 -75.6(7) . . . . ?
O18 S2 C326 F4 171.5(9) . . . . ?
O18 S2 C326 F5 -65.3(8) . . . . ?
O18 S2 C326 F6 42.1(8) . . . . ?
O19 S3 C327 F7 64.3(10) . . . . ?
O19 S3 C327 F8 -177.2(9) . . . . ?
O19 S3 C327 F9 -59.7(9) . . . . ?
O20 S3 C327 F7 -176.9(9) . . . . ?
O20 S3 C327 F8 -58.4(11) . . . . ?
O20 S3 C327 F9 59.1(10) . . . . ?
O21 S3 C327 F7 -60.9(10) . . . . ?
O21 S3 C327 F8 57.6(11) . . . . ?
O21 S3 C327 F9 175.1(9) . . . . ?
O22 S4 C328 F10 -55.1(9) . . . . ?
O22 S4 C328 F11 63.0(8) . . . . ?
O22 S4 C328 F12 -175.0(9) . . . . ?
O23 S4 C328 F10 61.6(9) . . . . ?
O23 S4 C328 F11 179.7(8) . . . . ?
O23 S4 C328 F12 -58.2(11) . . . . ?
O24 S4 C328 F10 172.1(10) . . . . ?
O24 S4 C328 F11 -69.8(9) . . . . ?
O24 S4 C328 F12 52.3(12) . . . . ?
C1A C2A C3A Rh1 -61.1(7) . . . . ?
C1A C2A C3A C4A 1.0(11) . . . . ?
C1A C2A C3A C8A 176.0(11) . . . . ?
C2A C1A C5A Rh1 59.5(6) . . . . ?
C2A C1A C5A C4A -3.7(9) . . . . ?
C2A C1A C5A C10A -178.6(9) . . . . ?
C2A C3A C4A Rh1 -62.8(7) . . . . ?
C2A C3A C4A C5A -3.5(11) . . . . ?
C2A C3A C4A C9A 174.2(9) . . . . ?
C3A C4A C5A Rh1 -59.4(7) . . . . ?
C3A C4A C5A C1A 4.4(10) . . . . ?
C3A C4A C5A C10A 178.5(11) . . . . ?
C5A C1A C2A Rh1 -58.4(6) . . . . ?
C5A C1A C2A C3A 1.8(10) . . . . ?
C5A C1A C2A C7A -178.7(9) . . . . ?
C6A C1A C2A Rh1 119.3(8) . . . . ?
C6A C1A C2A C3A 179.5(8) . . . . ?
C6A C1A C2A C7A -1.0(15) . . . . ?
C6A C1A C5A Rh1 -118.3(8) . . . . ?
C6A C1A C5A C4A 178.5(8) . . . . ?
C6A C1A C5A C10A 3.6(13) . . . . ?
C7A C2A C3A Rh1 119.3(9) . . . . ?
C7A C2A C3A C4A -178.5(9) . . . . ?
C7A C2A C3A C8A -3.6(17) . . . . ?
C8A C3A C4A Rh1 122.2(12) . . . . ?
C8A C3A C4A C5A -178.6(11) . . . . ?
C8A C3A C4A C9A -0.8(17) . . . . ?
C9A C4A C5A Rh1 122.9(10) . . . . ?
C9A C4A C5A C1A -173.4(9) . . . . ?
C9A C4A C5A C10A 0.8(17) . . . . ?
C1B C2B C3B Rh2 -62.8(5) . . . . ?
C1B C2B C3B C4B -5.0(9) . . . . ?
C1B C2B C3B C8B 178.2(9) . . . . ?
C2B C1B C5B Rh2 60.1(5) . . . . ?
C2B C1B C5B C4B 2.2(9) . . . . ?
C2B C1B C5B C10B -178.6(8) . . . . ?
C2B C3B C4B Rh2 -58.7(6) . . . . ?
C2B C3B C4B C5B 6.3(9) . . . . ?
C2B C3B C4B C9B -176.9(8) . . . . ?
C3B C4B C5B Rh2 -64.4(5) . . . . ?
C3B C4B C5B C1B -5.1(8) . . . . ?
C3B C4B C5B C10B 175.7(8) . . . . ?
C5B C1B C2B Rh2 -61.7(5) . . . . ?
C5B C1B C2B C3B 1.7(9) . . . . ?
C5B C1B C2B C7B 176.6(8) . . . . ?
C6B C1B C2B Rh2 122.6(9) . . . . ?
C6B C1B C2B C3B -174.0(8) . . . . ?
C6B C1B C2B C7B 0.9(14) . . . . ?
C6B C1B C5B Rh2 -123.8(8) . . . . ?
C6B C1B C5B C4B 178.2(7) . . . . ?
C6B C1B C5B C10B -2.6(13) . . . . ?
C7B C2B C3B Rh2 122.8(11) . . . . ?
C7B C2B C3B C4B -179.3(10) . . . . ?
C7B C2B C3B C8B 3.9(16) . . . . ?
C8B C3B C4B Rh2 118.2(8) . . . . ?
C8B C3B C4B C5B -176.7(8) . . . . ?
C8B C3B C4B C9B 0.1(13) . . . . ?
C9B C4B C5B Rh2 118.6(7) . . . . ?
C9B C4B C5B C1B 177.9(7) . . . . ?
C9B C4B C5B C10B -1.3(12) . . . . ?
C1C C2C C3C Rh3 -59.8(8) . . . . ?
C1C C2C C3C C4C 2.0(14) . . . . ?
C1C C2C C3C C8C -179.5(12) . . . . ?
C2C C1C C5C Rh3 62.2(8) . . . . ?
C2C C1C C5C C4C 2.1(12) . . . . ?
C2C C1C C5C C10C -177.2(13) . . . . ?
C2C C3C C4C Rh3 -62.4(10) . . . . ?
C2C C3C C4C C5C -0.8(13) . . . . ?
C2C C3C C4C C9C 174.4(14) . . . . ?
C3C C4C C5C Rh3 -62.2(7) . . . . ?
C3C C4C C5C C1C -0.9(11) . . . . ?
C3C C4C C5C C10C 178.5(11) . . . . ?
C5C C1C C2C Rh3 -63.4(8) . . . . ?
C5C C1C C2C C3C -2.6(14) . . . . ?
C5C C1C C2C C7C -178.6(13) . . . . ?
C6C C1C C2C Rh3 119.2(13) . . . . ?
C6C C1C C2C C3C -180.0(12) . . . . ?
C6C C1C C2C C7C 4.0(19) . . . . ?
C6C C1C C5C Rh3 -120.6(14) . . . . ?
C6C C1C C5C C4C 179.3(12) . . . . ?
C6C C1C C5C C10C 0(2) . . . . ?
C7C C2C C3C Rh3 115(2) . . . . ?
C7C C2C C3C C4C 176.4(19) . . . . ?
C7C C2C C3C C8C -5(3) . . . . ?
C8C C3C C4C Rh3 119.0(11) . . . . ?
C8C C3C C4C C5C -179.4(10) . . . . ?
C8C C3C C4C C9C -4(2) . . . . ?
C9C C4C C5C Rh3 121.9(12) . . . . ?
C9C C4C C5C C1C -176.8(12) . . . . ?
C9C C4C C5C C10C 2.6(18) . . . . ?
C1D C2D C3D Rh4 -59.0(6) . . . . ?
C1D C2D C3D C4D 4.3(10) . . . . ?
C1D C2D C3D C8D -177.2(9) . . . . ?
C2D C1D C5D Rh4 62.6(6) . . . . ?
C2D C1D C5D C4D 1.0(10) . . . . ?
C2D C1D C5D C10D -176.3(10) . . . . ?
C2D C3D C4D Rh4 -63.6(5) . . . . ?
C2D C3D C4D C5D -3.3(9) . . . . ?
C2D C3D C4D C9D 176.5(9) . . . . ?
C3D C4D C5D Rh4 -60.0(6) . . . . ?
C3D C4D C5D C1D 1.5(10) . . . . ?
C3D C4D C5D C10D 178.4(10) . . . . ?
C5D C1D C2D Rh4 -61.4(6) . . . . ?
C5D C1D C2D C3D -3.3(10) . . . . ?
C5D C1D C2D C7D 176.2(8) . . . . ?
C6D C1D C2D Rh4 122.0(11) . . . . ?
C6D C1D C2D C3D -179.9(10) . . . . ?
C6D C1D C2D C7D -0.4(16) . . . . ?
C6D C1D C5D Rh4 -120.5(10) . . . . ?
C6D C1D C5D C4D 177.8(9) . . . . ?
C6D C1D C5D C10D 0.6(15) . . . . ?
C7D C2D C3D Rh4 121.5(9) . . . . ?
C7D C2D C3D C4D -175.2(8) . . . . ?
C7D C2D C3D C8D 3.3(15) . . . . ?
C8D C3D C4D Rh4 117.7(8) . . . . ?
C8D C3D C4D C5D 178.0(8) . . . . ?
C8D C3D C4D C9D -2.2(14) . . . . ?
C9D C4D C5D Rh4 120.2(11) . . . . ?
C9D C4D C5D C1D -178.4(10) . . . . ?
C9D C4D C5D C10D -1.4(18) . . . . ?
C1E C2E C3E Rh5 -60.2(6) . . . . ?
C1E C2E C3E C4E 3.1(10) . . . . ?
C1E C2E C3E C8E 175.8(9) . . . . ?
C2E C1E C5E Rh5 61.1(6) . . . . ?
C2E C1E C5E C4E -2.4(9) . . . . ?
C2E C1E C5E C10E -175.7(10) . . . . ?
C2E C3E C4E Rh5 -62.3(6) . . . . ?
C2E C3E C4E C5E -4.5(10) . . . . ?
C2E C3E C4E C9E 177.9(9) . . . . ?
C3E C4E C5E Rh5 -58.5(6) . . . . ?
C3E C4E C5E C1E 4.3(9) . . . . ?
C3E C4E C5E C10E 177.7(9) . . . . ?
C5E C1E C2E Rh5 -60.3(5) . . . . ?
C5E C1E C2E C3E -0.4(9) . . . . ?
C5E C1E C2E C7E 179.3(8) . . . . ?
C6E C1E C2E Rh5 121.5(10) . . . . ?
C6E C1E C2E C3E -178.6(9) . . . . ?
C6E C1E C2E C7E 1.1(14) . . . . ?
C6E C1E C5E Rh5 -120.7(9) . . . . ?
C6E C1E C5E C4E 175.9(9) . . . . ?
C6E C1E C5E C10E 2.6(15) . . . . ?
C7E C2E C3E Rh5 120.2(8) . . . . ?
C7E C2E C3E C4E -176.5(8) . . . . ?
C7E C2E C3E C8E -3.8(14) . . . . ?
C8E C3E C4E Rh5 124.7(9) . . . . ?
C8E C3E C4E C5E -177.5(9) . . . . ?
C8E C3E C4E C9E 4.9(15) . . . . ?
C9E C4E C5E Rh5 119.2(9) . . . . ?
C9E C4E C5E C1E -178.0(9) . . . . ?
C9E C4E C5E C10E -4.6(15) . . . . ?
C1F C2F C3F Rh6 -62.9(4) . . . . ?
C1F C2F C3F C4F -3.7(8) . . . . ?
C1F C2F C3F C8F 175.2(7) . . . . ?
C2F C1F C5F Rh6 58.3(5) . . . . ?
C2F C1F C5F C4F -2.9(8) . . . . ?
C2F C1F C5F C10F 179.5(7) . . . . ?
C2F C3F C4F Rh6 -58.6(5) . . . . ?
C2F C3F C4F C5F 2.0(8) . . . . ?
C2F C3F C4F C9F 179.3(8) . . . . ?
C3F C4F C5F Rh6 -61.6(5) . . . . ?
C3F C4F C5F C1F 0.7(8) . . . . ?
C3F C4F C5F C10F 178.2(8) . . . . ?
C5F C1F C2F Rh6 -59.7(5) . . . . ?
C5F C1F C2F C3F 4.1(8) . . . . ?
C5F C1F C2F C7F -178.4(7) . . . . ?
C6F C1F C2F Rh6 120.4(7) . . . . ?
C6F C1F C2F C3F -175.7(7) . . . . ?
C6F C1F C2F C7F 1.8(12) . . . . ?
C6F C1F C5F Rh6 -121.9(8) . . . . ?
C6F C1F C5F C4F 176.9(7) . . . . ?
C6F C1F C5F C10F -0.7(13) . . . . ?
C7F C2F C3F Rh6 119.5(7) . . . . ?
C7F C2F C3F C4F 178.7(7) . . . . ?
C7F C2F C3F C8F -2.4(12) . . . . ?
C8F C3F C4F Rh6 122.5(7) . . . . ?
C8F C3F C4F C5F -177.0(7) . . . . ?
C8F C3F C4F C9F 0.3(13) . . . . ?
C9F C4F C5F Rh6 121.1(9) . . . . ?
C9F C4F C5F C1F -176.7(8) . . . . ?
C9F C4F C5F C10F 0.8(13) . . . . ?
C1G C2G C3G Rh7 -61.6(5) . . . . ?
C1G C2G C3G C4G 1.6(7) . . . . ?
C1G C2G C3G C8G 179.6(7) . . . . ?
C2G C1G C5G Rh7 59.7(5) . . . . ?
C2G C1G C5G C4G -3.1(8) . . . . ?
C2G C1G C5G C10G -176.3(7) . . . . ?
C2G C3G C4G Rh7 -61.8(4) . . . . ?
C2G C3G C4G C5G -3.6(7) . . . . ?
C2G C3G C4G C9G 178.2(8) . . . . ?
C3G C4G C5G Rh7 -58.6(5) . . . . ?
C3G C4G C5G C1G 4.2(8) . . . . ?
C3G C4G C5G C10G 176.2(8) . . . . ?
C5G C1G C2G Rh7 -59.5(5) . . . . ?
C5G C1G C2G C3G 1.0(8) . . . . ?
C5G C1G C2G C7G 176.5(7) . . . . ?
C6G C1G C2G Rh7 120.4(8) . . . . ?
C6G C1G C2G C3G -179.1(7) . . . . ?
C6G C1G C2G C7G -3.5(12) . . . . ?
C6G C1G C5G Rh7 -120.3(8) . . . . ?
C6G C1G C5G C4G 176.9(8) . . . . ?
C6G C1G C5G C10G 3.8(12) . . . . ?
C7G C2G C3G Rh7 122.7(7) . . . . ?
C7G C2G C3G C4G -174.1(7) . . . . ?
C7G C2G C3G C8G 3.9(11) . . . . ?
C8G C3G C4G Rh7 120.3(7) . . . . ?
C8G C3G C4G C5G 178.5(7) . . . . ?
C8G C3G C4G C9G 0.3(13) . . . . ?
C9G C4G C5G Rh7 119.7(8) . . . . ?
C9G C4G C5G C1G -177.5(7) . . . . ?
C9G C4G C5G C10G -5.5(13) . . . . ?
C1H C2H C3H Rh8 -64.0(5) . . . . ?
C1H C2H C3H C4H -2.3(9) . . . . ?
C1H C2H C3H C8H 175.8(9) . . . . ?
C2H C1H C5H Rh8 57.9(6) . . . . ?
C2H C1H C5H C4H -3.4(10) . . . . ?
C2H C1H C5H C10H 179.5(8) . . . . ?
C2H C3H C4H Rh8 -60.6(5) . . . . ?
C2H C3H C4H C5H 0.3(10) . . . . ?
C2H C3H C4H C9H 175.2(9) . . . . ?
C3H C4H C5H Rh8 -60.3(7) . . . . ?
C3H C4H C5H C1H 1.9(10) . . . . ?
C3H C4H C5H C10H 179.0(9) . . . . ?
C5H C1H C2H Rh8 -58.8(6) . . . . ?
C5H C1H C2H C3H 3.5(9) . . . . ?
C5H C1H C2H C7H 174.5(8) . . . . ?
C6H C1H C2H Rh8 121.2(9) . . . . ?
C6H C1H C2H C3H -176.6(8) . . . . ?
C6H C1H C2H C7H -5.5(14) . . . . ?
C6H C1H C5H Rh8 -122.0(10) . . . . ?
C6H C1H C5H C4H 176.6(9) . . . . ?
C6H C1H C5H C10H -0.5(15) . . . . ?
C7H C2H C3H Rh8 124.8(9) . . . . ?
C7H C2H C3H C4H -173.5(8) . . . . ?
C7H C2H C3H C8H 4.6(14) . . . . ?
C8H C3H C4H Rh8 121.4(10) . . . . ?
C8H C3H C4H C5H -177.7(9) . . . . ?
C8H C3H C4H C9H -2.8(16) . . . . ?
C9H C4H C5H Rh8 124.7(9) . . . . ?
C9H C4H C5H C1H -173.1(9) . . . . ?
C9H C4H C5H C10H 4.0(15) . . . . ?
C1I C2I C3I Rh9 -62.7(7) . . . . ?
C1I C2I C3I C4I -4.1(11) . . . . ?
C1I C2I C3I C8I 174.3(9) . . . . ?
C2I C1I C5I Rh9 59.9(6) . . . . ?
C2I C1I C5I C4I -0.3(10) . . . . ?
C2I C1I C5I C10I -176.0(11) . . . . ?
C2I C3I C4I Rh9 -58.7(6) . . . . ?
C2I C3I C4I C5I 3.6(10) . . . . ?
C2I C3I C4I C9I -176.2(10) . . . . ?
C3I C4I C5I Rh9 -64.2(6) . . . . ?
C3I C4I C5I C1I -2.1(10) . . . . ?
C3I C4I C5I C10I 173.3(12) . . . . ?
C5I C1I C2I Rh9 -60.4(6) . . . . ?
C5I C1I C2I C3I 2.7(11) . . . . ?
C5I C1I C2I C7I -177.9(10) . . . . ?
C6I C1I C2I Rh9 120.3(10) . . . . ?
C6I C1I C2I C3I -176.6(10) . . . . ?
C6I C1I C2I C7I 2.7(16) . . . . ?
C6I C1I C5I Rh9 -120.7(10) . . . . ?
C6I C1I C5I C4I 179.1(9) . . . . ?
C6I C1I C5I C10I 3.3(16) . . . . ?
C7I C2I C3I Rh9 117.9(11) . . . . ?
C7I C2I C3I C4I 176.6(10) . . . . ?
C7I C2I C3I C8I -5.0(16) . . . . ?
C8I C3I C4I Rh9 123.2(12) . . . . ?
C8I C3I C4I C5I -174.5(11) . . . . ?
C8I C3I C4I C9I 5.7(18) . . . . ?
C9I C4I C5I Rh9 115.5(13) . . . . ?
C9I C4I C5I C1I 177.7(12) . . . . ?
C9I C4I C5I C10I -7(2) . . . . ?
C11I C12I C13I Rh9 69.0(7) . . . . ?
C11I C12I C13I C14I 0.0 . . . . ?
C11I C12I C13I C18I -175(4) . . . . ?
C11I C15I C20I C19I -177(2) . . . . ?
C12I C11I C15I Rh9 -53.9(8) . . . . ?
C12I C11I C15I C14I 0.0 . . . . ?
C12I C11I C15I C19I 14.9(19) . . . . ?
C12I C11I C15I C20I -171(2) . . . . ?
C12I C13I C14I Rh9 65.2(6) . . . . ?
C12I C13I C14I C15I 0.0 . . . . ?
C12I C13I C14I C18I -177(2) . . . . ?
C12I C13I C14I C19I -158(3) . . . . ?
C12I C13I C18I C14I 175(4) . . . . ?
C13I C14I C15I Rh9 56.0(6) . . . . ?
C13I C14I C15I C11I 0.0 . . . . ?
C13I C14I C15I C19I -165(2) . . . . ?
C13I C14I C15I C20I 172(2) . . . . ?
C13I C14I C19I C15I 158(3) . . . . ?
C13I C14I C19I C20I 170(2) . . . . ?
C14I C15I C20I C19I 13.6(13) . . . . ?
C15I C11I C12I Rh9 61.3(7) . . . . ?
C15I C11I C12I C13I 0.0 . . . . ?
C15I C11I C12I C17I -175.4(19) . . . . ?
C15I C14I C19I C20I 11.8(11) . . . . ?
C16I C11I C12I Rh9 -110(2) . . . . ?
C16I C11I C12I C13I -171(2) . . . . ?
C16I C11I C12I C17I 14(3) . . . . ?
C16I C11I C15I Rh9 119.7(14) . . . . ?
C16I C11I C15I C14I 173.6(15) . . . . ?
C16I C11I C15I C19I -171(2) . . . . ?
C16I C11I C15I C20I 3(2) . . . . ?
C17I C12I C13I Rh9 -117(2) . . . . ?
C17I C12I C13I C14I 174(2) . . . . ?
C17I C12I C13I C18I -1(4) . . . . ?
C18I C13I C14I Rh9 -117(2) . . . . ?
C18I C13I C14I C15I 177(2) . . . . ?
C18I C13I C14I C19I 19(3) . . . . ?
C18I C14I C15I Rh9 59(2) . . . . ?
C18I C14I C15I C11I 3(2) . . . . ?
C18I C14I C15I C19I -162(4) . . . . ?
C18I C14I C15I C20I 175(3) . . . . ?
C18I C14I C19I C15I 170(2) . . . . ?
C18I C14I C19I C20I -177.9(17) . . . . ?
C19I C14I C15I Rh9 -139(2) . . . . ?
C19I C14I C15I C11I 165(2) . . . . ?
C19I C14I C15I C20I -23(2) . . . . ?
C1J C2J C3J Rh10 -63.4(6) . . . . ?
C1J C2J C3J C4J -2.2(10) . . . . ?
C1J C2J C3J C8J 177.0(11) . . . . ?
C2J C1J C5J Rh10 58.7(6) . . . . ?
C2J C1J C5J C4J -3.6(9) . . . . ?
C2J C1J C5J C10J -173.7(10) . . . . ?
C2J C3J C4J Rh10 -59.9(6) . . . . ?
C2J C3J C4J C5J -0.1(10) . . . . ?
C2J C3J C4J C9J 178.7(9) . . . . ?
C3J C4J C5J Rh10 -60.3(7) . . . . ?
C3J C4J C5J C1J 2.3(10) . . . . ?
C3J C4J C5J C10J 172.8(10) . . . . ?
C5J C1J C2J Rh10 -59.2(6) . . . . ?
C5J C1J C2J C3J 3.6(10) . . . . ?
C5J C1J C2J C7J 177.3(10) . . . . ?
C6J C1J C2J Rh10 120.6(9) . . . . ?
C6J C1J C2J C3J -176.6(9) . . . . ?
C6J C1J C2J C7J -2.8(15) . . . . ?
C6J C1J C5J Rh10 -121.1(10) . . . . ?
C6J C1J C5J C4J 176.6(9) . . . . ?
C6J C1J C5J C10J 6.5(16) . . . . ?
C7J C2J C3J Rh10 123.3(11) . . . . ?
C7J C2J C3J C4J -175.5(10) . . . . ?
C7J C2J C3J C8J 3.7(19) . . . . ?
C8J C3J C4J Rh10 120.8(12) . . . . ?
C8J C3J C4J C5J -179.4(11) . . . . ?
C8J C3J C4J C9J -0.6(16) . . . . ?
C9J C4J C5J Rh10 121.0(9) . . . . ?
C9J C4J C5J C1J -176.4(9) . . . . ?
C9J C4J C5J C10J -5.9(15) . . . . ?
C1K C2K C3K Rh11 -60.65(18) . . . . ?
C1K C2K C3K C4K 0.0 . . . . ?
C1K C2K C3K C8K 180.0 . . . . ?
C2K C1K C5K Rh11 63.95(19) . . . . ?
C2K C1K C5K C4K 0.0 . . . . ?
C2K C1K C5K C10K 180.0 . . . . ?
C2K C3K C4K Rh11 -60.09(18) . . . . ?
C2K C3K C4K C5K 0.0 . . . . ?
C2K C3K C4K C9K 180.0 . . . . ?
C3K C4K C5K Rh11 -62.1(2) . . . . ?
C3K C4K C5K C1K 0.0 . . . . ?
C3K C4K C5K C10K 180.0 . . . . ?
C5K C1K C2K Rh11 -63.0(2) . . . . ?
C5K C1K C2K C3K 0.0 . . . . ?
C5K C1K C2K C7K 180.0 . . . . ?
C6K C1K C2K Rh11 117.0(2) . . . . ?
C6K C1K C2K C3K -180.0 . . . . ?
C6K C1K C2K C7K 0.0 . . . . ?
C6K C1K C5K Rh11 -116.05(19) . . . . ?
C6K C1K C5K C4K -180.0 . . . . ?
C6K C1K C5K C10K 0.0 . . . . ?
C7K C2K C3K Rh11 119.38(19) . . . . ?
C7K C2K C3K C4K 180.0 . . . . ?
C7K C2K C3K C8K 0.0 . . . . ?
C8K C3K C4K Rh11 119.90(18) . . . . ?
C8K C3K C4K C5K -180.0 . . . . ?
C8K C3K C4K C9K 0.0 . . . . ?
C9K C4K C5K Rh11 117.90(19) . . . . ?
C9K C4K C5K C1K -180.0 . . . . ?
C9K C4K C5K C10K 0.0 . . . . ?
C11K C12K C13K Rh11 -61.1(2) . . . . ?
C11K C12K C13K C14K 0.0 . . . . ?
C11K C12K C13K C18K 180.0 . . . . ?
C12K C11K C15K Rh11 60.57(19) . . . . ?
C12K C11K C15K C14K 0.0 . . . . ?
C12K C11K C15K C20K -180.0 . . . . ?
C12K C13K C14K Rh11 -63.12(19) . . . . ?
C12K C13K C14K C15K 0.0 . . . . ?
C12K C13K C14K C19K 180.0 . . . . ?
C13K C14K C15K Rh11 -62.8(2) . . . . ?
C13K C14K C15K C11K 0.0 . . . . ?
C13K C14K C15K C20K 180.0 . . . . ?
C15K C11K C12K Rh11 -59.5(2) . . . . ?
C15K C11K C12K C13K 0.0 . . . . ?
C15K C11K C12K C17K -180.0 . . . . ?
C16K C11K C12K Rh11 120.4(2) . . . . ?
C16K C11K C12K C13K 180.0 . . . . ?
C16K C11K C12K C17K 0.0 . . . . ?
C16K C11K C15K Rh11 -119.39(18) . . . . ?
C16K C11K C15K C14K -180.0 . . . . ?
C16K C11K C15K C20K 0.0 . . . . ?
C17K C12K C13K Rh11 118.9(2) . . . . ?
C17K C12K C13K C14K 180.0 . . . . ?
C17K C12K C13K C18K 0.0 . . . . ?
C18K C13K C14K Rh11 116.92(19) . . . . ?
C18K C13K C14K C15K -180.0 . . . . ?
C18K C13K C14K C19K 0.0 . . . . ?
C19K C14K C15K Rh11 117.2(2) . . . . ?
C19K C14K C15K C11K -180.0 . . . . ?
C19K C14K C15K C20K 0.0 . . . . ?
C1L C2L C3L Rh12 -63.1(8) . . . . ?
C1L C2L C3L C4L 0.9(12) . . . . ?
C1L C2L C3L C8L -177.2(14) . . . . ?
C2L C1L C5L Rh12 63.7(9) . . . . ?
C2L C1L C5L C4L 3(2) . . . . ?
C2L C1L C5L C10L -178.8(15) . . . . ?
C2L C3L C4L Rh12 -61.3(7) . . . . ?
C2L C3L C4L C5L 0.9(15) . . . . ?
C2L C3L C4L C9L -176.6(16) . . . . ?
C3L C4L C5L Rh12 -61.2(10) . . . . ?
C3L C4L C5L C1L -3(2) . . . . ?
C3L C4L C5L C10L -180(2) . . . . ?
C5L C1L C2L Rh12 -63.7(10) . . . . ?
C5L C1L C2L C3L -2.2(14) . . . . ?
C5L C1L C2L C7L 173.0(14) . . . . ?
C6L C1L C2L Rh12 128.0(15) . . . . ?
C6L C1L C2L C3L -170.4(14) . . . . ?
C6L C1L C2L C7L 5(2) . . . . ?
C6L C1L C5L Rh12 -132(2) . . . . ?
C6L C1L C5L C4L 168(2) . . . . ?
C6L C1L C5L C10L -15(3) . . . . ?
C7L C2L C3L Rh12 121.6(13) . . . . ?
C7L C2L C3L C4L -174.4(13) . . . . ?
C7L C2L C3L C8L 7(2) . . . . ?
C8L C3L C4L Rh12 117.0(14) . . . . ?
C8L C3L C4L C5L 179.1(15) . . . . ?
C8L C3L C4L C9L 2(2) . . . . ?
C9L C4L C5L Rh12 115(3) . . . . ?
C9L C4L C5L C1L 174(2) . . . . ?
C9L C4L C5L C10L -3(4) . . . . ?
C1 N1 C14 C9 -0.6(7) . . . . ?
C1 N1 C14 C13 175.7(9) . . . . ?
C1 N4 C9 C10 -175.7(8) . . . . ?
C1 N4 C9 C14 0.8(7) . . . . ?
C2 N2 C3 C4 -173.1(9) . . . . ?
C2 N2 C3 C8 0.0(7) . . . . ?
C2 N3 C8 C3 -1.8(7) . . . . ?
C2 N3 C8 C7 175.6(8) . . . . ?
C3 N2 C2 N3 -1.2(7) . . . . ?
C3 N2 C2 C1 166.5(6) . . . . ?
C3 C4 C5 C6 4.0(16) . . . . ?
C4 C3 C8 N3 174.7(8) . . . . ?
C4 C3 C8 C7 -3.0(12) . . . . ?
C4 C5 C6 C7 -3.0(17) . . . . ?
C5 C6 C7 C8 -1.0(15) . . . . ?
C6 C7 C8 N3 -173.2(8) . . . . ?
C6 C7 C8 C3 3.9(12) . . . . ?
C8 N3 C2 N2 1.9(7) . . . . ?
C8 N3 C2 C1 -166.0(6) . . . . ?
C8 C3 C4 C5 -1.2(15) . . . . ?
C9 N4 C1 N1 -1.3(7) . . . . ?
C9 N4 C1 C2 166.5(6) . . . . ?
C9 C10 C11 C12 1.4(14) . . . . ?
C10 C9 C14 N1 176.7(7) . . . . ?
C10 C9 C14 C13 -0.3(11) . . . . ?
C10 C11 C12 C13 -4.4(15) . . . . ?
C11 C12 C13 C14 4.9(14) . . . . ?
C12 C13 C14 N1 -178.7(9) . . . . ?
C12 C13 C14 C9 -2.6(12) . . . . ?
C14 N1 C1 N4 1.3(8) . . . . ?
C14 N1 C1 C2 -166.4(6) . . . . ?
C14 C9 C10 C11 0.8(12) . . . . ?
C15 N5 C28 C23 -10.6(17) . . . . ?
C15 N5 C28 C27 -172(2) . . . . ?
C15 N5 C28' C23' 14.1(15) . . . . ?
C15 N5 C28' C27' -172(3) . . . . ?
C15 N8 C23 C24 -169.0(19) . . . . ?
C15 N8 C23 C28 -10.1(12) . . . . ?
C15 N8 C23' C24' 159.8(17) . . . . ?
C15 N8 C23' C28' 6.7(15) . . . . ?
C16 N6 C17 C18 174.4(11) . . . . ?
C16 N6 C17 C22 -0.8(9) . . . . ?
C16 N7 C22 C17 -0.3(9) . . . . ?
C16 N7 C22 C21 -176.4(10) . . . . ?
C17 N6 C16 N7 0.7(9) . . . . ?
C17 N6 C16 C15 -167.7(7) . . . . ?
C17 C18 C19 C20 7(2) . . . . ?
C18 C17 C22 N7 -175.0(10) . . . . ?
C18 C17 C22 C21 1.3(16) . . . . ?
C18 C19 C20 C21 -4(3) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C20 C21 C22 N7 176.9(11) . . . . ?
C20 C21 C22 C17 1.4(16) . . . . ?
C22 N7 C16 N6 -0.3(9) . . . . ?
C22 N7 C16 C15 167.6(7) . . . . ?
C22 C17 C18 C19 -4.9(17) . . . . ?
C23 N8 C15 N5 4.5(10) . . . . ?
C23 N8 C15 C16 -166.9(8) . . . . ?
C23 C24 C25 C26 11(5) . . . . ?
C24 C23 C28 N5 173(2) . . . . ?
C24 C23 C28 C27 -24(3) . . . . ?
C25 C26 C27 C28 16(5) . . . . ?
C26 C27 C28 N5 162(4) . . . . ?
C26 C27 C28 C23 1(5) . . . . ?
C28 N5 C15 N8 3.5(12) . . . . ?
C28 N5 C15 C16 174.6(11) . . . . ?
C28 C23 C24 C25 16(4) . . . . ?
C23' N8 C15 N5 4.5(10) . . . . ?
C23' N8 C15 C16 -166.9(8) . . . . ?
C23' C24' C25' C26' 0(4) . . . . ?
C24' C23' C28' N5 -173.0(12) . . . . ?
C24' C23' C28' C27' 12(3) . . . . ?
C24' C25' C26' C27' 23(5) . . . . ?
C25' C26' C27' C28' -25(4) . . . . ?
C26' C27' C28' N5 -167(3) . . . . ?
C26' C27' C28' C23' 6(4) . . . . ?
C28' N5 C15 N8 -13.3(13) . . . . ?
C28' N5 C15 C16 157.8(11) . . . . ?
C28' C23' C24' C25' -14(3) . . . . ?
C29 N9 C42 C37 0.2(7) . . . . ?
C29 N9 C42 C41 -172.8(9) . . . . ?
C29 N12 C37 C38 174.5(9) . . . . ?
C29 N12 C37 C42 -0.2(7) . . . . ?
C30 N10 C31 C32 178.0(9) . . . . ?
C30 N10 C31 C36 0.3(8) . . . . ?
C30 N11 C36 C31 0.5(7) . . . . ?
C30 N11 C36 C35 -177.0(8) . . . . ?
C31 N10 C30 N11 0.0(8) . . . . ?
C31 N10 C30 C29 -167.3(6) . . . . ?
C31 C32 C33 C34 -2.9(17) . . . . ?
C32 C31 C36 N11 -178.4(7) . . . . ?
C32 C31 C36 C35 -0.7(12) . . . . ?
C32 C33 C34 C35 2.8(19) . . . . ?
C33 C34 C35 C36 -1.4(16) . . . . ?
C34 C35 C36 N11 177.5(8) . . . . ?
C34 C35 C36 C31 0.4(13) . . . . ?
C36 N11 C30 N10 -0.3(8) . . . . ?
C36 N11 C30 C29 167.4(6) . . . . ?
C36 C31 C32 C33 1.9(13) . . . . ?
C37 N12 C29 N9 0.4(7) . . . . ?
C37 N12 C29 C30 -168.2(6) . . . . ?
C37 C38 C39 C40 -2(2) . . . . ?
C38 C37 C42 N9 -175.6(7) . . . . ?
C38 C37 C42 C41 -1.9(12) . . . . ?
C38 C39 C40 C41 2(2) . . . . ?
C39 C40 C41 C42 -2.0(19) . . . . ?
C40 C41 C42 N9 174.2(10) . . . . ?
C40 C41 C42 C37 1.9(14) . . . . ?
C42 N9 C29 N12 -0.4(8) . . . . ?
C42 N9 C29 C30 168.6(6) . . . . ?
C42 C37 C38 C39 2.0(14) . . . . ?
C43 N13 C56 C51 0.4(6) . . . . ?
C43 N13 C56 C55 -178.2(7) . . . . ?
C43 N16 C51 C52 179.0(7) . . . . ?
C43 N16 C51 C56 1.3(6) . . . . ?
C44 N14 C45 C46 176.8(8) . . . . ?
C44 N14 C45 C50 0.1(7) . . . . ?
C44 N15 C50 C45 -1.1(7) . . . . ?
C44 N15 C50 C49 -176.0(9) . . . . ?
C45 N14 C44 N15 -0.9(8) . . . . ?
C45 N14 C44 C43 -172.1(6) . . . . ?
C45 C46 C47 C48 1.3(15) . . . . ?
C46 C45 C50 N15 -176.5(7) . . . . ?
C46 C45 C50 C49 -0.9(12) . . . . ?
C46 C47 C48 C49 -4.5(18) . . . . ?
C47 C48 C49 C50 5.0(17) . . . . ?
C48 C49 C50 N15 172.0(10) . . . . ?
C48 C49 C50 C45 -2.4(15) . . . . ?
C50 N15 C44 N14 1.3(8) . . . . ?
C50 N15 C44 C43 172.4(6) . . . . ?
C50 C45 C46 C47 1.4(12) . . . . ?
C51 N16 C43 N13 -1.2(8) . . . . ?
C51 N16 C43 C44 -174.7(6) . . . . ?
C51 C52 C53 C54 2.1(12) . . . . ?
C52 C51 C56 N13 -179.1(6) . . . . ?
C52 C51 C56 C55 -0.3(9) . . . . ?
C52 C53 C54 C55 -1.5(13) . . . . ?
C53 C54 C55 C56 -0.1(12) . . . . ?
C54 C55 C56 N13 179.5(7) . . . . ?
C54 C55 C56 C51 0.9(10) . . . . ?
C56 N13 C43 N16 0.5(8) . . . . ?
C56 N13 C43 C44 173.8(6) . . . . ?
C56 C51 C52 C53 -1.2(11) . . . . ?
C21I N17 C70 C65 -2.4(7) . . . . ?
C21I N17 C70 C69 178.0(8) . . . . ?
C21I N20 C65 C66 178.6(9) . . . . ?
C21I N20 C65 C70 -1.9(8) . . . . ?
C58 N18 C59 C60 178.2(8) . . . . ?
C58 N18 C59 C64 -1.2(7) . . . . ?
C58 N19 C64 C59 -0.3(7) . . . . ?
C58 N19 C64 C63 -179.0(9) . . . . ?
C59 N18 C58 N19 1.2(7) . . . . ?
C59 N18 C58 C21I -170.9(5) . . . . ?
C59 C60 C61 C62 -3.9(15) . . . . ?
C60 C59 C64 N19 -178.4(7) . . . . ?
C60 C59 C64 C63 0.4(12) . . . . ?
C60 C61 C62 C63 2.6(19) . . . . ?
C61 C62 C63 C64 0.4(19) . . . . ?
C62 C63 C64 N19 176.6(10) . . . . ?
C62 C63 C64 C59 -1.9(15) . . . . ?
C64 N19 C58 N18 -0.6(7) . . . . ?
C64 N19 C58 C21I 171.3(5) . . . . ?
C64 C59 C60 C61 2.5(12) . . . . ?
C65 N20 C21I N17 0.4(8) . . . . ?
C65 N20 C21I C58 -172.0(6) . . . . ?
C65 C66 C67 C68 4.9(18) . . . . ?
C66 C65 C70 N17 -177.6(7) . . . . ?
C66 C65 C70 C69 2.0(13) . . . . ?
C66 C67 C68 C69 -4(2) . . . . ?
C67 C68 C69 C70 2.2(17) . . . . ?
C68 C69 C70 N17 178.3(9) . . . . ?
C68 C69 C70 C65 -1.2(14) . . . . ?
C70 N17 C21I N20 1.3(8) . . . . ?
C70 N17 C21I C58 173.6(6) . . . . ?
C70 C65 C66 C67 -3.7(14) . . . . ?
C71 N21 C84 C79 -0.9(9) . . . . ?
C71 N21 C84 C83 -178.5(11) . . . . ?
C71 N24 C79 C80 -177.6(11) . . . . ?
C71 N24 C79 C84 1.5(8) . . . . ?
C72 N22 C73 C74 176.9(10) . . . . ?
C72 N22 C73 C78 -0.6(9) . . . . ?
C72 N23 C78 C73 0.8(9) . . . . ?
C72 N23 C78 C77 -178.6(10) . . . . ?
C73 N22 C72 N23 1.2(9) . . . . ?
C73 N22 C72 C71 -172.4(7) . . . . ?
C73 C74 C75 C76 2.2(19) . . . . ?
C74 C73 C78 N23 -178.0(8) . . . . ?
C74 C73 C78 C77 1.4(15) . . . . ?
C74 C75 C76 C77 -4(2) . . . . ?
C75 C76 C77 C78 4.1(18) . . . . ?
C76 C77 C78 N23 176.2(11) . . . . ?
C76 C77 C78 C73 -3.0(17) . . . . ?
C78 N23 C72 N22 -1.3(9) . . . . ?
C78 N23 C72 C71 172.2(7) . . . . ?
C78 C73 C74 C75 -0.8(15) . . . . ?
C79 N24 C71 N21 -2.4(10) . . . . ?
C79 N24 C71 C72 -175.1(7) . . . . ?
C79 C80 C81 C82 2(2) . . . . ?
C80 C79 C84 N21 178.9(8) . . . . ?
C80 C79 C84 C83 -3.1(13) . . . . ?
C80 C81 C82 C83 2(2) . . . . ?
C81 C82 C83 C84 -7(2) . . . . ?
C82 C83 C84 N21 -175.5(11) . . . . ?
C82 C83 C84 C79 7.1(17) . . . . ?
C84 N21 C71 N24 2.1(9) . . . . ?
C84 N21 C71 C72 174.8(7) . . . . ?
C84 C79 C80 C81 -1.2(16) . . . . ?
C85 N25 C89 C88 -1.9(10) . . . . ?
C85 C86 C87 C88 2.1(10) . . . . ?
C85 C86 C87 C90 -176.0(6) . . . . ?
C86 C87 C88 C89 -4.0(10) . . . . ?
C86 C87 C90 N26 -154.1(7) . . . . ?
C86 C87 C90 O1 25.6(10) . . . . ?
C87 C88 C89 N25 4.0(11) . . . . ?
C88 C87 C90 N26 27.9(10) . . . . ?
C88 C87 C90 O1 -152.4(7) . . . . ?
C89 N25 C85 C86 -0.1(11) . . . . ?
C90 N26 C91 C92 97.7(8) . . . . ?
C90 C87 C88 C89 174.0(7) . . . . ?
C91 N26 C90 O1 5.2(12) . . . . ?
C91 N26 C90 C87 -175.0(6) . . . . ?
C91 C92 C93 C94 -179.5(6) . . . . ?
C91 C92 C97 C96 179.5(6) . . . . ?
C92 C93 C94 C95 -2.0(11) . . . . ?
C93 C92 C97 C96 -1.4(9) . . . . ?
C93 C94 C95 C96 2.5(11) . . . . ?
C93 C94 C95 C98 179.5(7) . . . . ?
C94 C95 C96 C97 -2.4(11) . . . . ?
C94 C95 C98 N27 -53.3(10) . . . . ?
C95 C96 C97 C92 2.0(10) . . . . ?
C96 C95 C98 N27 123.6(8) . . . . ?
C97 C92 C93 C94 1.5(10) . . . . ?
C98 N27 C99 O2 -2.6(13) . . . . ?
C98 N27 C99 C102 179.4(7) . . . . ?
C98 C95 C96 C97 -179.4(7) . . . . ?
C99 N27 C98 C95 99.9(9) . . . . ?
C99 C102 C103 C104 174.5(8) . . . . ?
C100 N28 C104 C103 -2.5(12) . . . . ?
C100 C101 C102 C99 -177.1(7) . . . . ?
C100 C101 C102 C103 1.7(11) . . . . ?
C101 C102 C103 C104 -4.2(12) . . . . ?
C102 C103 C104 N28 4.8(13) . . . . ?
C104 N28 C100 C101 -0.3(11) . . . . ?
C105 N29 C109 C108 -0.8(10) . . . . ?
C105 C106 C107 C108 -0.4(10) . . . . ?
C105 C106 C107 C110 175.7(6) . . . . ?
C106 C107 C108 C109 -0.3(10) . . . . ?
C106 C107 C110 N30 28.4(10) . . . . ?
C106 C107 C110 O3 -148.9(7) . . . . ?
C107 C108 C109 N29 0.9(11) . . . . ?
C108 C107 C110 N30 -155.5(7) . . . . ?
C108 C107 C110 O3 27.1(10) . . . . ?
C109 N29 C105 C106 0.1(10) . . . . ?
C110 N30 C111 C112 95.3(8) . . . . ?
C110 C107 C108 C109 -176.6(6) . . . . ?
C111 N30 C110 O3 5.8(11) . . . . ?
C111 N30 C110 C107 -171.5(6) . . . . ?
C111 C112 C113 C114 -179.0(8) . . . . ?
C111 C112 C117 C116 178.5(7) . . . . ?
C112 C113 C114 C115 1.9(13) . . . . ?
C113 C112 C117 C116 2.4(11) . . . . ?
C113 C114 C115 C116 -0.2(13) . . . . ?
C113 C114 C115 C118 178.8(8) . . . . ?
C114 C115 C116 C117 -0.4(11) . . . . ?
C114 C115 C118 N31 -51.6(11) . . . . ?
C115 C116 C117 C112 -0.8(12) . . . . ?
C116 C115 C118 N31 127.3(8) . . . . ?
C117 C112 C113 C114 -3.0(11) . . . . ?
C118 N31 C119 O4 -2.0(11) . . . . ?
C118 N31 C119 C122 -179.2(6) . . . . ?
C118 C115 C116 C117 -179.4(7) . . . . ?
C119 N31 C118 C115 97.6(9) . . . . ?
C119 C122 C123 C124 175.7(7) . . . . ?
C120 N32 C124 C123 -1.3(10) . . . . ?
C120 C121 C122 C119 -176.9(7) . . . . ?
C120 C121 C122 C123 0.6(11) . . . . ?
C121 C122 C123 C124 -1.6(11) . . . . ?
C122 C123 C124 N32 2.0(11) . . . . ?
C124 N32 C120 C121 0.3(10) . . . . ?
C125 N33 C129 C128 -1.1(9) . . . . ?
C125 C126 C127 C128 0.1(9) . . . . ?
C125 C126 C127 C130 -177.2(6) . . . . ?
C126 C127 C128 C129 -3.0(10) . . . . ?
C126 C127 C130 N34 -154.1(6) . . . . ?
C126 C127 C130 O5 27.3(9) . . . . ?
C127 C128 C129 N33 3.6(10) . . . . ?
C128 C127 C130 N34 28.6(9) . . . . ?
C128 C127 C130 O5 -150.0(7) . . . . ?
C129 N33 C125 C126 -2.0(9) . . . . ?
C130 N34 C131 C132 100.5(9) . . . . ?
C130 C127 C128 C129 174.3(6) . . . . ?
C131 N34 C130 O5 5.2(11) . . . . ?
C131 N34 C130 C127 -173.3(6) . . . . ?
C131 C132 C133 C134 179.2(7) . . . . ?
C131 C132 C137 C136 176.3(8) . . . . ?
C132 C133 C134 C135 3.4(13) . . . . ?
C133 C132 C137 C136 -4.8(11) . . . . ?
C133 C134 C135 C136 -2.8(12) . . . . ?
C133 C134 C135 C138 178.9(8) . . . . ?
C134 C135 C136 C137 -1.6(12) . . . . ?
C134 C135 C138 N35 -51.5(11) . . . . ?
C135 C136 C137 C132 5.5(13) . . . . ?
C136 C135 C138 N35 130.2(8) . . . . ?
C137 C132 C133 C134 0.2(11) . . . . ?
C138 N35 C139 O6 0.9(15) . . . . ?
C138 N35 C139 C142 -178.7(8) . . . . ?
C138 C135 C136 C137 176.8(8) . . . . ?
C139 N35 C138 C135 96.2(10) . . . . ?
C139 C142 C143 C144 176.2(8) . . . . ?
C140 N36 C144 C143 0.6(11) . . . . ?
C140 C141 C142 C139 -178.2(8) . . . . ?
C140 C141 C142 C143 -0.4(12) . . . . ?
C141 C142 C143 C144 -1.4(12) . . . . ?
C142 C143 C144 N36 1.4(13) . . . . ?
C144 N36 C140 C141 -2.5(12) . . . . ?
C145 N37 C149 C148 1.4(10) . . . . ?
C145 C146 C147 C148 1.4(11) . . . . ?
C145 C146 C147 C150 177.5(6) . . . . ?
C146 C147 C148 C149 0.2(11) . . . . ?
C146 C147 C150 N38 151.0(7) . . . . ?
C146 C147 C150 O7 -26.9(10) . . . . ?
C147 C148 C149 N37 -1.6(11) . . . . ?
C148 C147 C150 N38 -33.1(11) . . . . ?
C148 C147 C150 O7 149.0(8) . . . . ?
C149 N37 C145 C146 0.3(11) . . . . ?
C150 N38 C151 C152 96.2(9) . . . . ?
C150 C147 C148 C149 -175.6(7) . . . . ?
C151 N38 C150 O7 -0.1(12) . . . . ?
C151 N38 C150 C147 -178.0(7) . . . . ?
C151 C152 C153 C154 -176.6(7) . . . . ?
C151 C152 C157 C156 179.4(7) . . . . ?
C152 C153 C154 C155 -3.2(12) . . . . ?
C153 C152 C157 C156 -0.5(10) . . . . ?
C153 C154 C155 C156 0.2(11) . . . . ?
C153 C154 C155 C158 -177.8(7) . . . . ?
C154 C155 C156 C157 2.6(10) . . . . ?
C154 C155 C158 N39 -115.6(7) . . . . ?
C155 C156 C157 C152 -2.4(11) . . . . ?
C156 C155 C158 N39 66.4(8) . . . . ?
C157 C152 C153 C154 3.3(11) . . . . ?
C158 N39 C159 O8 -2.7(13) . . . . ?
C158 N39 C159 C162 173.2(7) . . . . ?
C158 C155 C156 C157 -179.4(6) . . . . ?
C159 N39 C158 C155 -98.7(8) . . . . ?
C159 C162 C163 C164 -172.2(7) . . . . ?
C160 N40 C164 C163 2.7(12) . . . . ?
C160 C161 C162 C159 176.3(7) . . . . ?
C160 C161 C162 C163 -1.4(11) . . . . ?
C161 C162 C163 C164 5.5(12) . . . . ?
C162 C163 C164 N40 -6.3(13) . . . . ?
C164 N40 C160 C161 1.6(12) . . . . ?
C165 N41 C169 C168 1.2(12) . . . . ?
C165 C166 C167 C168 3.2(13) . . . . ?
C165 C166 C167 C170 177.8(7) . . . . ?
C166 C167 C168 C169 -1.3(12) . . . . ?
C166 C167 C170 N42 151.8(7) . . . . ?
C166 C167 C170 O9 -26.8(10) . . . . ?
C167 C168 C169 N41 -1.0(13) . . . . ?
C168 C167 C170 N42 -34.0(11) . . . . ?
C168 C167 C170 O9 147.5(8) . . . . ?
C169 N41 C165 C166 0.8(12) . . . . ?
C170 N42 C171 C172 96.0(9) . . . . ?
C170 C167 C168 C169 -175.4(7) . . . . ?
C171 N42 C170 O9 1.9(12) . . . . ?
C171 N42 C170 C167 -176.6(7) . . . . ?
C171 C172 C173 C174 178.8(7) . . . . ?
C171 C172 C177 C176 -174.9(7) . . . . ?
C172 C173 C174 C175 -3.7(12) . . . . ?
C173 C172 C177 C176 3.3(10) . . . . ?
C173 C174 C175 C176 2.9(10) . . . . ?
C173 C174 C175 C178 -179.8(7) . . . . ?
C174 C175 C176 C177 0.9(10) . . . . ?
C174 C175 C178 N43 69.5(8) . . . . ?
C175 C176 C177 C172 -4.1(10) . . . . ?
C176 C175 C178 N43 -113.4(7) . . . . ?
C177 C172 C173 C174 0.7(11) . . . . ?
C178 N43 C179 O10 -3.1(10) . . . . ?
C178 N43 C179 C182 172.2(6) . . . . ?
C178 C175 C176 C177 -176.3(6) . . . . ?
C179 N43 C178 C175 -102.0(8) . . . . ?
C179 C182 C183 C184 -173.6(6) . . . . ?
C180 N44 C184 C183 2.8(11) . . . . ?
C180 C181 C182 C179 175.1(6) . . . . ?
C180 C181 C182 C183 -0.4(9) . . . . ?
C181 C182 C183 C184 1.8(10) . . . . ?
C182 C183 C184 N44 -3.1(12) . . . . ?
C184 N44 C180 C181 -1.2(10) . . . . ?
C185 N45 C189 C188 -4.7(13) . . . . ?
C185 C186 C187 C188 3.2(12) . . . . ?
C185 C186 C187 C190 -179.8(7) . . . . ?
C186 C187 C188 C189 -2.1(12) . . . . ?
C186 C187 C190 N46 151.4(7) . . . . ?
C186 C187 C190 O11 -31.4(10) . . . . ?
C187 C188 C189 N45 3.0(13) . . . . ?
C188 C187 C190 N46 -31.7(11) . . . . ?
C188 C187 C190 O11 145.5(8) . . . . ?
C189 N45 C185 C186 5.9(12) . . . . ?
C190 N46 C191 C192 94.0(9) . . . . ?
C190 C187 C188 C189 -178.8(7) . . . . ?
C191 N46 C190 O11 4.7(12) . . . . ?
C191 N46 C190 C187 -178.3(7) . . . . ?
C191 C192 C193 C194 178.6(8) . . . . ?
C191 C192 C197 C196 -179.6(8) . . . . ?
C192 C193 C194 C195 -2.8(13) . . . . ?
C193 C192 C197 C196 -5.2(13) . . . . ?
C193 C194 C195 C196 2.1(12) . . . . ?
C193 C194 C195 C198 -179.9(7) . . . . ?
C194 C195 C196 C197 -2.9(12) . . . . ?
C194 C195 C198 N47 67.7(8) . . . . ?
C195 C196 C197 C192 4.5(13) . . . . ?
C196 C195 C198 N47 -114.4(7) . . . . ?
C197 C192 C193 C194 4.2(13) . . . . ?
C198 N47 C199 O12 -2.8(10) . . . . ?
C198 N47 C199 C202 170.5(6) . . . . ?
C198 C195 C196 C197 179.2(7) . . . . ?
C199 N47 C198 C195 -100.0(7) . . . . ?
C199 C202 C203 C204 -173.7(6) . . . . ?
C200 N48 C204 C203 4.1(9) . . . . ?
C200 C201 C202 C199 175.1(6) . . . . ?
C200 C201 C202 C203 -2.1(9) . . . . ?
C201 C202 C203 C204 3.5(9) . . . . ?
C202 C203 C204 N48 -4.7(10) . . . . ?
C204 N48 C200 C201 -2.7(9) . . . . ?
O25 S5 C329 F13 -59.6(10) . . . . ?
O25 S5 C329 F14 61.9(8) . . . . ?
O25 S5 C329 F15 -177.2(9) . . . . ?
O26 S5 C329 F13 60.0(10) . . . . ?
O26 S5 C329 F14 -178.5(8) . . . . ?
O26 S5 C329 F15 -57.6(10) . . . . ?
O27 S5 C329 F13 176.3(9) . . . . ?
O27 S5 C329 F14 -62.2(8) . . . . ?
O27 S5 C329 F15 58.8(9) . . . . ?
O28 S6 C330 F16 -49.1(10) . . . . ?
O28 S6 C330 F17 65.8(10) . . . . ?
O28 S6 C330 F18 -173.3(9) . . . . ?
O29 S6 C330 F16 70.1(10) . . . . ?
O29 S6 C330 F17 -175.0(10) . . . . ?
O29 S6 C330 F18 -54.1(11) . . . . ?
O30 S6 C330 F16 179.9(10) . . . . ?
O30 S6 C330 F17 -65.2(11) . . . . ?
O30 S6 C330 F18 55.7(11) . . . . ?
S1 C325 F2 F3 99(2) . . . . ?
S1 C325 F3 F2 -114.7(14) . . . . ?
O34 S8 C332 F22 55.1(14) . . . . ?
O34 S8 C332 F23 174.5(15) . . . . ?
O34 S8 C332 F24 -61.8(15) . . . . ?
O35 S8 C332 F22 170.0(14) . . . . ?
O35 S8 C332 F23 -70.7(18) . . . . ?
O35 S8 C332 F24 53.0(16) . . . . ?
O36 S8 C332 F22 -68.5(14) . . . . ?
O36 S8 C332 F23 50.8(18) . . . . ?
O36 S8 C332 F24 174.5(14) . . . . ?
F1 C325 F2 F3 -127(3) . . . . ?
F1 C325 F3 F2 115(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_3a
_database_code_depnum_ccdc_archive 'CCDC 1965067'
loop_
_audit_author_name
_audit_author_address
'lilong dang'
;fudan university
China
;
_audit_update_record             
;
2019-11-12 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C170 H185 F24 N24 O34.50 Rh6 S8 Sr'
_chemical_formula_weight         4533.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -0.5625 1.4257 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'

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

_cell_length_a                   22.673(5)
_cell_length_b                   22.673(5)
_cell_length_c                   20.482(4)
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                120.00(3)
_cell_volume                     9118(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9391
_cell_measurement_theta_min      3.40
_cell_measurement_theta_max      54.98

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_F_000             4602
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.297
_shelx_estimated_absorpt_T_min   0.565
_shelx_estimated_absorpt_T_max   0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.551
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            76990
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_av_R_equivalents  0.0921
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.392
_diffrn_reflns_theta_max         54.940
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11512
_reflns_number_gt                9107
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.942
_reflns_Friedel_fraction_max     0.996
_reflns_Friedel_fraction_full    0.997

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
 In asymmetric unit of this data, 3 ISOR and 4 DFIX 
 instructions were used to restrain anions and Cp* fragments 
 so that there were 23 restraints in the data. Hydrogen of 
 water molecules could not be found and others were put in 
 calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0001P)²+181.9203P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.18(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         11512
_refine_ls_number_parameters     851
_refine_ls_number_restraints     23
_refine_ls_R_factor_all          0.1205
_refine_ls_R_factor_gt           0.0868
_refine_ls_wR_factor_ref         0.2097
_refine_ls_wR_factor_gt          0.1834
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.054
_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
Rh1 Rh 0.21970(7) 0.25028(7) 0.60631(8) 0.0382(3) Uani 1 1 d . . . . .
Rh2 Rh 0.44299(7) 0.36087(7) 0.43500(8) 0.0364(3) Uani 1 1 d . . . . .
Sr1 Sr 0.333333 0.666667 0.27510(16) 0.0424(7) Uani 1 3 d S T P . .
N1 N 0.2417(8) 0.2605(8) 0.5020(8) 0.039(4) Uani 1 1 d . . . . .
N2 N 0.3295(7) 0.3213(8) 0.6071(9) 0.039(3) Uani 1 1 d . . . . .
N3 N 0.4204(8) 0.3684(8) 0.5376(8) 0.038(4) Uani 1 1 d . . . . .
N4 N 0.3339(7) 0.3063(7) 0.4333(9) 0.038(3) Uani 1 1 d . . . . .
N5 N 0.2011(8) 0.3334(8) 0.6019(9) 0.044(4) Uani 1 1 d . . . . .
N6 N 0.1729(10) 0.5419(10) 0.6265(8) 0.048(4) Uani 1 1 d . . . . .
H6 H 0.212485 0.552659 0.644029 0.07(8) Uiso 1 1 calc R . . . .
N7 N 0.2986(8) 0.8166(9) 0.3909(8) 0.041(4) Uani 1 1 d . . . . .
H7 H 0.304251 0.855660 0.405209 0.04(6) Uiso 1 1 calc R . . . .
N8 N 0.5471(8) 0.9918(8) 0.4152(8) 0.041(4) Uani 1 1 d . . . . .
O1 O 0.0765(8) 0.4614(9) 0.5784(9) 0.063(5) Uani 1 1 d . . . . .
O2 O 0.3524(8) 0.7646(7) 0.3476(7) 0.051(4) Uani 1 1 d . . . . .
O3 O 0.4456(7) 0.7687(8) 0.2400(7) 0.050(4) Uani 1 1 d . . . . .
O4 O 0.5574(10) 0.8591(9) 0.2117(12) 0.089(7) Uani 1 1 d . . . . .
O5 O 0.4773(12) 0.7933(14) 0.1250(9) 0.099(8) Uani 1 1 d . . . . .
O6 O 0.6502(9) 0.7070(9) 0.4072(9) 0.069(5) Uani 1 1 d . . . . .
O7 O 0.7013(9) 0.6515(9) 0.3482(8) 0.061(4) Uani 1 1 d . . . . .
O8 O 0.6678(10) 0.6249(10) 0.4631(10) 0.082(6) Uani 1 1 d . . . . .
O9 O -0.0330(16) 0.9281(13) 0.7243(14) 0.129(10) Uani 1 1 d . . . . .
O10 O 0.7042(13) 0.4046(12) 0.2052(14) 0.118(10) Uani 1 1 d . . . . .
O12 O 0.333333 0.666667 0.1485(16) 0.080(10) Uani 1 3 d S T P . .
S1 S 0.4988(3) 0.7967(3) 0.1914(3) 0.0504(13) Uani 1 1 d . . . . .
S2 S 0.6884(3) 0.6741(3) 0.4104(3) 0.0551(14) Uani 1 1 d . . . . .
S3 S 0.000000 1.000000 0.7373(8) 0.088(4) Uani 1 3 d S T P . .
S4 S 0.666667 0.333333 0.2224(7) 0.069(3) Uani 1 3 d DS T P . .
F1 F 0.5747(8) 0.7495(8) 0.1459(7) 0.066(4) Uani 1 1 d . . . . .
F2 F 0.5558(10) 0.7354(11) 0.2476(7) 0.094(6) Uani 1 1 d . . . . .
F3 F 0.4779(9) 0.6737(8) 0.1828(10) 0.091(5) Uani 1 1 d . . . . .
F4 F 0.7957(9) 0.7938(9) 0.3897(9) 0.085(5) Uani 1 1 d . . . . .
F5 F 0.7688(10) 0.7724(11) 0.4906(9) 0.097(6) Uani 1 1 d . . . . .
F6 F 0.8174(7) 0.7241(8) 0.4431(9) 0.082(5) Uani 1 1 d . . . . .
F7 F 0.0382(17) 1.0623(16) 0.8505(18) 0.191(14) Uani 1 1 d . . . . .
F8 F 0.640(3) 0.366(2) 0.3328(15) 0.238(19) Uani 1 1 d D . . . .
C1 C 0.3098(10) 0.2961(9) 0.4942(10) 0.036(4) Uani 1 1 d . . . . .
C2 C 0.3541(10) 0.3257(9) 0.5476(9) 0.035(4) Uani 1 1 d . . . . .
C3 C 0.3850(10) 0.3674(10) 0.6422(10) 0.039(4) Uani 1 1 d . . . . .
C4 C 0.3922(11) 0.3880(11) 0.7084(10) 0.045(5) Uani 1 1 d . . . . .
H4 H 0.354741 0.367649 0.737662 0.09(10) Uiso 1 1 calc R . . . .
C5 C 0.4556(11) 0.4385(11) 0.7290(11) 0.049(5) Uani 1 1 d . . . . .
H5 H 0.461030 0.453443 0.773054 0.11(11) Uiso 1 1 calc R . . . .
C6 C 0.5130(11) 0.4691(12) 0.6868(9) 0.044(5) Uani 1 1 d . . . . .
H6A H 0.555963 0.503531 0.702572 0.13(13) Uiso 1 1 calc R . . . .
C7 C 0.5052(10) 0.4475(10) 0.6210(10) 0.045(5) Uani 1 1 d . . . . .
H7A H 0.543045 0.467274 0.592182 0.07(8) Uiso 1 1 calc R . . . .
C8 C 0.4421(10) 0.3972(9) 0.5988(10) 0.040(4) Uani 1 1 d . . . . .
C9 C 0.2751(11) 0.2738(11) 0.3961(10) 0.043(5) Uani 1 1 d . . . . .
C10 C 0.2645(12) 0.2672(12) 0.3268(12) 0.053(6) Uani 1 1 d . . . . .
H10 H 0.301701 0.287982 0.297253 0.04(6) Uiso 1 1 calc R . . . .
C11 C 0.1989(12) 0.2301(13) 0.3046(11) 0.060(7) Uani 1 1 d D . . . .
H11 H 0.191493 0.222642 0.258921 0.072 Uiso 1 1 calc R U . . .
C12 C 0.1434(10) 0.2033(11) 0.3450(10) 0.054(6) Uani 1 1 d D . . . .
H12 H 0.098914 0.180399 0.326735 0.05(6) Uiso 1 1 calc R . . . .
C13 C 0.1510(11) 0.2091(11) 0.4129(11) 0.052(6) Uani 1 1 d D . . . .
H13 H 0.112603 0.189242 0.441073 0.063 Uiso 1 1 calc R U . . .
C14 C 0.2183(9) 0.2458(10) 0.4383(9) 0.038(4) Uani 1 1 d . . . . .
C15 C 0.2262(11) 0.3825(10) 0.6452(10) 0.041(5) Uani 1 1 d . . . . .
H15 H 0.257183 0.383289 0.676949 0.04(5) Uiso 1 1 calc R . . . .
C16 C 0.2084(11) 0.4355(11) 0.6463(11) 0.048(5) Uani 1 1 d . . . . .
H16 H 0.228584 0.471745 0.677019 0.057 Uiso 1 1 calc R U . . .
C17 C 0.1614(10) 0.4321(10) 0.6019(12) 0.045(5) Uani 1 1 d . . . . .
C18 C 0.1345(11) 0.3792(11) 0.5569(11) 0.047(5) Uani 1 1 d . . . . .
H18 H 0.100318 0.374070 0.526820 0.03(5) Uiso 1 1 calc R . . . .
C19 C 0.1587(11) 0.3348(13) 0.5572(10) 0.051(6) Uani 1 1 d . . . . .
H19 H 0.144349 0.302362 0.522874 0.04(6) Uiso 1 1 calc R . . . .
C20 C 0.1347(11) 0.4805(12) 0.6000(11) 0.049(5) Uani 1 1 d . . . . .
C21 C 0.1489(11) 0.5922(11) 0.6267(11) 0.047(5) Uani 1 1 d . . . . .
H21A H 0.167490 0.621968 0.665497 0.057 Uiso 1 1 calc R U . . .
H21B H 0.098616 0.567751 0.629752 0.03(5) Uiso 1 1 calc R . . . .
C22 C 0.1712(10) 0.6354(10) 0.5656(11) 0.042(5) Uani 1 1 d . . . . .
C23 C 0.1282(11) 0.6561(10) 0.5360(10) 0.046(5) Uani 1 1 d . . . . .
H23 H 0.084924 0.642276 0.554900 0.056 Uiso 1 1 calc R U . . .
C24 C 0.1469(10) 0.6953(10) 0.4810(8) 0.039(4) Uani 1 1 d . . . . .
H24 H 0.116863 0.708779 0.462978 0.05(6) Uiso 1 1 calc R . . . .
C25 C 0.2109(9) 0.7165(9) 0.4501(10) 0.038(4) Uani 1 1 d . . . . .
C26 C 0.2527(11) 0.6969(11) 0.4785(10) 0.046(5) Uani 1 1 d . . . . .
H26 H 0.296378 0.711422 0.460159 0.03(5) Uiso 1 1 calc R . . . .
C27 C 0.2323(11) 0.6556(11) 0.5341(10) 0.046(5) Uani 1 1 d . . . . .
H27 H 0.261748 0.640777 0.551015 0.05(7) Uiso 1 1 calc R . . . .
C28 C 0.2300(10) 0.7583(10) 0.3898(10) 0.042(5) Uani 1 1 d . . . . .
H28A H 0.225770 0.729153 0.352057 0.02(5) Uiso 1 1 calc R . . . .
H28B H 0.197386 0.774799 0.383088 0.030 Uiso 1 1 calc R U . . .
C29 C 0.3530(11) 0.8141(11) 0.3718(9) 0.040(4) Uani 1 1 d . . . . .
C30 C 0.5391(11) 0.9489(10) 0.3645(10) 0.042(5) Uani 1 1 d . . . . .
H30 H 0.578322 0.958544 0.339577 0.09(10) Uiso 1 1 calc R . . . .
C31 C 0.4792(10) 0.8936(10) 0.3475(10) 0.038(4) Uani 1 1 d . . . . .
H31 H 0.476328 0.866489 0.310888 0.045 Uiso 1 1 calc R U . . .
C32 C 0.4199(9) 0.8769(9) 0.3862(9) 0.039(4) Uani 1 1 d . . . . .
C33 C 0.4290(11) 0.9209(11) 0.4373(10) 0.048(5) Uani 1 1 d . . . . .
H33 H 0.391107 0.911885 0.463999 0.10(10) Uiso 1 1 calc R . . . .
C34 C 0.4911(10) 0.9769(11) 0.4504(10) 0.048(5) Uani 1 1 d . . . . .
H34 H 0.494780 1.006128 0.485298 0.057 Uiso 1 1 calc R U . . .
C35 C 0.1470(11) 0.1413(9) 0.6052(13) 0.051(5) Uani 1 1 d . . . . .
C36 C 0.2111(11) 0.1557(10) 0.6321(13) 0.053(6) Uani 1 1 d . . . . .
C37 C 0.2212(10) 0.1955(10) 0.6914(10) 0.041(4) Uani 1 1 d . . . . .
C38 C 0.1654(11) 0.2089(11) 0.6958(12) 0.051(5) Uani 1 1 d . . . . .
C39 C 0.1210(11) 0.1764(11) 0.6393(12) 0.052(6) Uani 1 1 d . . . . .
C40 C 0.1145(14) 0.0958(11) 0.5480(12) 0.062(7) Uani 1 1 d . . . . .
H40A H 0.091869 0.048145 0.562250 0.093 Uiso 1 1 calc R U . . .
H40B H 0.149483 0.103585 0.515505 0.093 Uiso 1 1 calc R U . . .
H40C H 0.080930 0.105630 0.528512 0.093 Uiso 1 1 calc R U . . .
C41 C 0.2572(12) 0.1283(13) 0.6118(16) 0.064(7) Uani 1 1 d . . . . .
H41A H 0.248216 0.089467 0.639512 0.03(5) Uiso 1 1 calc R . . . .
H41B H 0.304856 0.164111 0.616553 0.11(11) Uiso 1 1 calc R . . . .
H41C H 0.248181 0.113553 0.566076 0.07(9) Uiso 1 1 calc R . . . .
C42 C 0.2766(12) 0.2148(12) 0.7378(11) 0.053(6) Uani 1 1 d . . . . .
H42A H 0.286312 0.257012 0.759897 0.12(12) Uiso 1 1 calc R . . . .
H42B H 0.317371 0.221786 0.714492 0.176 Uiso 1 1 calc R U . . .
H42C H 0.263362 0.178445 0.770142 0.04(5) Uiso 1 1 calc R . . . .
C43 C 0.1538(13) 0.2464(14) 0.7502(12) 0.060(7) Uani 1 1 d . . . . .
H43A H 0.119697 0.213597 0.780463 0.090 Uiso 1 1 calc R U . . .
H43B H 0.137395 0.275644 0.731995 0.13(13) Uiso 1 1 calc R . . . .
H43C H 0.196606 0.274575 0.773585 0.05(6) Uiso 1 1 calc R . . . .
C44 C 0.0544(12) 0.1742(14) 0.6313(14) 0.068(8) Uani 1 1 d . . . . .
H44A H 0.061020 0.219962 0.637822 0.03(5) Uiso 1 1 calc R . . . .
H44B H 0.021879 0.143017 0.663575 0.09(10) Uiso 1 1 calc R . . . .
H44C H 0.036742 0.158300 0.587246 0.137 Uiso 1 1 calc R U . . .
C45 C 0.5327(12) 0.3542(14) 0.4556(11) 0.058(6) Uani 1 1 d . . . . .
C46 C 0.4759(12) 0.2865(11) 0.4417(10) 0.050(5) Uani 1 1 d . . . . .
C47 C 0.4528(11) 0.2874(11) 0.3775(10) 0.045(5) Uani 1 1 d . . . . .
C48 C 0.4934(12) 0.3551(11) 0.3482(11) 0.047(5) Uani 1 1 d . . . . .
C49 C 0.5448(11) 0.3962(12) 0.3967(13) 0.055(6) Uani 1 1 d . . . . .
C50 C 0.5773(13) 0.3725(14) 0.5143(13) 0.064(7) Uani 1 1 d . . . . .
H50A H 0.549059 0.354251 0.553470 0.09(10) Uiso 1 1 calc R . . . .
H50B H 0.605045 0.422122 0.517754 0.04(6) Uiso 1 1 calc R . . . .
H50C H 0.607206 0.352971 0.510244 0.065 Uiso 1 1 calc R U . . .
C51 C 0.451(2) 0.2292(16) 0.4857(14) 0.082(9) Uani 1 1 d . . . . .
H51A H 0.474140 0.244124 0.527719 0.06(7) Uiso 1 1 calc R . . . .
H51B H 0.458729 0.194136 0.466927 0.090 Uiso 1 1 calc R U . . .
H51C H 0.401532 0.210279 0.492329 0.10(12) Uiso 1 1 calc R . . . .
C52 C 0.3979(12) 0.2264(12) 0.3435(11) 0.056(6) Uani 1 1 d . . . . .
H52A H 0.381176 0.241141 0.306285 0.07(8) Uiso 1 1 calc R . . . .
H52B H 0.360320 0.200286 0.373891 0.101 Uiso 1 1 calc R U . . .
H52C H 0.416060 0.197829 0.327820 0.05(6) Uiso 1 1 calc R . . . .
C53 C 0.4900(18) 0.3763(13) 0.2818(12) 0.078(9) Uani 1 1 d . . . . .
H53A H 0.445655 0.344430 0.262649 0.117 Uiso 1 1 calc R U . . .
H53B H 0.526276 0.376665 0.255456 0.117 Uiso 1 1 calc R U . . .
H53C H 0.495818 0.422154 0.282563 0.117 Uiso 1 1 calc R U . . .
C54 C 0.5992(13) 0.4697(14) 0.388(2) 0.087(12) Uani 1 1 d . . . . .
H54A H 0.632462 0.472513 0.355326 0.131 Uiso 1 1 calc R U . . .
H54B H 0.622290 0.488241 0.429344 0.16(18) Uiso 1 1 calc R . . . .
H54C H 0.578361 0.495970 0.372328 0.05(7) Uiso 1 1 calc R . . . .
C55 C 0.5289(11) 0.7367(14) 0.1922(12) 0.057(6) Uani 1 1 d . . . . .
C56 C 0.7710(14) 0.7443(13) 0.4332(14) 0.063(7) Uani 1 1 d . . . . .
C57 C 0.000000 1.000000 0.824(3) 0.068(13) Uani 1 3 d S T P . .
C58 C 0.666667 0.333333 0.3101(14) 0.089(15) Uani 1 3 d DS TU P . .
O13 O 0.677(2) 0.6678(15) 0.6710(19) 0.164(12) Uani 1 1 d . U . . .
O11 O 0.333333 0.666667 0.428(5) 0.10(2) Uani 0.5 3 d S TU 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
Rh1 C36 2.12(2) . ?
Rh1 C39 2.13(2) . ?
Rh1 N5 2.129(16) . ?
Rh1 C38 2.15(2) . ?
Rh1 C37 2.15(2) . ?
Rh1 C35 2.180(18) . ?
Rh1 N1 2.181(17) . ?
Rh1 N2 2.187(15) . ?
Rh2 N8 2.107(16) 3_565 ?
Rh2 C47 2.14(2) . ?
Rh2 N4 2.142(15) . ?
Rh2 C48 2.15(2) . ?
Rh2 C45 2.15(2) . ?
Rh2 C46 2.16(2) . ?
Rh2 C49 2.18(2) . ?
Rh2 N3 2.189(16) . ?
Sr1 O2 2.522(15) 3_565 ?
Sr1 O2 2.522(15) . ?
Sr1 O2 2.522(15) 2_665 ?
Sr1 O3 2.541(15) . ?
Sr1 O3 2.541(15) 2_665 ?
Sr1 O3 2.541(15) 3_565 ?
Sr1 O12 2.59(3) . ?
Sr1 O11 3.13(10) . ?
N1 C1 1.35(2) . ?
N1 C14 1.38(2) . ?
N2 C2 1.32(2) . ?
N2 C3 1.37(3) . ?
N3 C2 1.33(2) . ?
N3 C8 1.39(3) . ?
N4 C1 1.33(3) . ?
N4 C9 1.39(2) . ?
N5 C15 1.31(2) . ?
N5 C19 1.34(3) . ?
N6 C20 1.33(3) . ?
N6 C21 1.49(3) . ?
N6 H6 0.8800 . ?
N7 C29 1.32(2) . ?
N7 C28 1.45(2) . ?
N7 H7 0.8800 . ?
N8 C34 1.35(3) . ?
N8 C30 1.37(2) . ?
O1 C20 1.25(3) . ?
O2 C29 1.22(2) . ?
O3 S1 1.443(15) . ?
O4 S1 1.434(19) . ?
O5 S1 1.43(2) . ?
O6 S2 1.399(18) . ?
O7 S2 1.455(17) . ?
O8 S2 1.451(19) . ?
O9 S3 1.44(2) . ?
O10 S4 1.44(2) . ?
S1 C55 1.80(3) . ?
S2 C56 1.81(3) . ?
S3 C57 1.77(6) . ?
S4 C58 1.80(3) . ?
F1 C55 1.33(3) . ?
F2 C55 1.30(3) . ?
F3 C55 1.33(3) . ?
F4 C56 1.32(3) . ?
F5 C56 1.35(3) . ?
F6 C56 1.36(3) . ?
F7 C57 1.35(3) . ?
F8 C58 1.26(2) . ?
C1 C2 1.41(3) . ?
C3 C4 1.42(3) . ?
C3 C8 1.43(3) . ?
C4 C5 1.38(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.42(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.41(3) . ?
C6 H6A 0.9500 . ?
C7 C8 1.39(3) . ?
C7 H7A 0.9500 . ?
C9 C14 1.41(3) . ?
C9 C10 1.44(3) . ?
C10 C11 1.37(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.37(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.40(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.42(3) . ?
C13 H13 0.9500 . ?
C15 C16 1.45(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.37(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.39(3) . ?
C17 C20 1.50(3) . ?
C18 C19 1.37(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C22 1.51(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C27 1.38(3) . ?
C22 C23 1.41(3) . ?
C23 C24 1.36(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.43(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.36(3) . ?
C25 C28 1.49(3) . ?
C26 C27 1.40(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C32 1.50(3) . ?
C30 C31 1.36(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.44(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.39(3) . ?
C33 C34 1.37(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C39 1.39(3) . ?
C35 C36 1.43(3) . ?
C35 C40 1.49(3) . ?
C36 C37 1.46(3) . ?
C36 C41 1.52(3) . ?
C37 C38 1.45(3) . ?
C37 C42 1.46(3) . ?
C38 C39 1.47(3) . ?
C38 C43 1.50(3) . ?
C39 C44 1.49(3) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.46(3) . ?
C45 C49 1.47(3) . ?
C45 C50 1.49(3) . ?
C46 C47 1.42(3) . ?
C46 C51 1.44(3) . ?
C47 C48 1.47(3) . ?
C47 C52 1.49(3) . ?
C48 C49 1.46(3) . ?
C48 C53 1.46(3) . ?
C49 C54 1.51(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 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
C36 Rh1 C39 66.2(8) . . ?
C36 Rh1 N5 161.3(8) . . ?
C39 Rh1 N5 96.6(7) . . ?
C36 Rh1 C38 66.6(9) . . ?
C39 Rh1 C38 40.2(8) . . ?
N5 Rh1 C38 95.7(8) . . ?
C36 Rh1 C37 40.0(9) . . ?
C39 Rh1 C37 66.5(8) . . ?
N5 Rh1 C37 127.8(8) . . ?
C38 Rh1 C37 39.3(8) . . ?
C36 Rh1 C35 38.8(8) . . ?
C39 Rh1 C35 37.7(9) . . ?
N5 Rh1 C35 129.2(7) . . ?
C38 Rh1 C35 64.6(9) . . ?
C37 Rh1 C35 64.8(9) . . ?
C36 Rh1 N1 104.6(8) . . ?
C39 Rh1 N1 119.3(8) . . ?
N5 Rh1 N1 90.0(7) . . ?
C38 Rh1 N1 159.2(7) . . ?
C37 Rh1 N1 141.9(7) . . ?
C35 Rh1 N1 96.5(8) . . ?
C36 Rh1 N2 103.8(7) . . ?
C39 Rh1 N2 160.0(8) . . ?
N5 Rh1 N2 90.2(6) . . ?
C38 Rh1 N2 120.6(7) . . ?
C37 Rh1 N2 94.5(7) . . ?
C35 Rh1 N2 140.5(7) . . ?
N1 Rh1 N2 79.2(6) . . ?
N8 Rh2 C47 135.0(7) 3_565 . ?
N8 Rh2 N4 90.8(6) 3_565 . ?
C47 Rh2 N4 94.6(7) . . ?
N8 Rh2 C48 98.8(7) 3_565 . ?
C47 Rh2 C48 40.0(8) . . ?
N4 Rh2 C48 116.5(8) . . ?
N8 Rh2 C45 123.8(9) 3_565 . ?
C47 Rh2 C45 65.5(9) . . ?
N4 Rh2 C45 145.1(8) . . ?
C48 Rh2 C45 67.0(8) . . ?
N8 Rh2 C46 160.4(8) 3_565 . ?
C47 Rh2 C46 38.5(8) . . ?
N4 Rh2 C46 107.4(8) . . ?
C48 Rh2 C46 66.7(8) . . ?
C45 Rh2 C46 39.4(9) . . ?
N8 Rh2 C49 94.3(8) 3_565 . ?
C47 Rh2 C49 65.4(9) . . ?
N4 Rh2 C49 155.9(8) . . ?
C48 Rh2 C49 39.4(9) . . ?
C45 Rh2 C49 39.8(9) . . ?
C46 Rh2 C49 66.1(9) . . ?
N8 Rh2 N3 89.8(6) 3_565 . ?
C47 Rh2 N3 135.1(7) . . ?
N4 Rh2 N3 79.2(6) . . ?
C48 Rh2 N3 161.7(7) . . ?
C45 Rh2 N3 94.8(8) . . ?
C46 Rh2 N3 100.7(7) . . ?
C49 Rh2 N3 124.3(8) . . ?
O2 Sr1 O2 88.8(5) 3_565 . ?
O2 Sr1 O2 88.8(5) 3_565 2_665 ?
O2 Sr1 O2 88.8(5) . 2_665 ?
O2 Sr1 O3 81.3(5) 3_565 . ?
O2 Sr1 O3 73.3(5) . . ?
O2 Sr1 O3 159.7(5) 2_665 . ?
O2 Sr1 O3 159.7(5) 3_565 2_665 ?
O2 Sr1 O3 81.3(5) . 2_665 ?
O2 Sr1 O3 73.3(5) 2_665 2_665 ?
O3 Sr1 O3 112.3(3) . 2_665 ?
O2 Sr1 O3 73.3(5) 3_565 3_565 ?
O2 Sr1 O3 159.7(5) . 3_565 ?
O2 Sr1 O3 81.3(5) 2_665 3_565 ?
O3 Sr1 O3 112.3(3) . 3_565 ?
O3 Sr1 O3 112.3(3) 2_665 3_565 ?
O2 Sr1 O12 126.1(4) 3_565 . ?
O2 Sr1 O12 126.1(4) . . ?
O2 Sr1 O12 126.1(4) 2_665 . ?
O3 Sr1 O12 73.6(4) . . ?
O3 Sr1 O12 73.6(4) 2_665 . ?
O3 Sr1 O12 73.6(4) 3_565 . ?
O2 Sr1 O11 53.9(4) 3_565 . ?
O2 Sr1 O11 53.9(4) . . ?
O2 Sr1 O11 53.9(4) 2_665 . ?
O3 Sr1 O11 106.4(4) . . ?
O3 Sr1 O11 106.4(4) 2_665 . ?
O3 Sr1 O11 106.4(4) 3_565 . ?
O12 Sr1 O11 180.00(2) . . ?
C1 N1 C14 102.7(16) . . ?
C1 N1 Rh1 108.2(12) . . ?
C14 N1 Rh1 149.1(13) . . ?
C2 N2 C3 103.4(15) . . ?
C2 N2 Rh1 109.3(13) . . ?
C3 N2 Rh1 147.1(13) . . ?
C2 N3 C8 101.9(16) . . ?
C2 N3 Rh2 108.3(12) . . ?
C8 N3 Rh2 149.7(14) . . ?
C1 N4 C9 102.7(16) . . ?
C1 N4 Rh2 109.9(13) . . ?
C9 N4 Rh2 147.3(14) . . ?
C15 N5 C19 117.1(19) . . ?
C15 N5 Rh1 121.9(15) . . ?
C19 N5 Rh1 120.8(15) . . ?
C20 N6 C21 120(2) . . ?
C20 N6 H6 119.9 . . ?
C21 N6 H6 119.9 . . ?
C29 N7 C28 123.7(18) . . ?
C29 N7 H7 118.1 . . ?
C28 N7 H7 118.1 . . ?
C34 N8 C30 117.0(17) . . ?
C34 N8 Rh2 119.5(14) . 2_665 ?
C30 N8 Rh2 123.4(14) . 2_665 ?
C29 O2 Sr1 165.1(14) . . ?
S1 O3 Sr1 146.4(10) . . ?
O5 S1 O4 116.8(15) . . ?
O5 S1 O3 116.3(12) . . ?
O4 S1 O3 113.2(11) . . ?
O5 S1 C55 102.4(12) . . ?
O4 S1 C55 103.1(12) . . ?
O3 S1 C55 102.1(10) . . ?
O6 S2 O8 113.4(12) . . ?
O6 S2 O7 115.7(11) . . ?
O8 S2 O7 115.2(12) . . ?
O6 S2 C56 100.8(11) . . ?
O8 S2 C56 106.1(12) . . ?
O7 S2 C56 103.5(12) . . ?
O9 S3 O9 116.7(8) 2_675 3_465 ?
O9 S3 O9 116.7(8) 2_675 . ?
O9 S3 O9 116.7(9) 3_465 . ?
O9 S3 C57 100.6(14) 2_675 . ?
O9 S3 C57 100.6(14) 3_465 . ?
O9 S3 C57 100.6(14) . . ?
O10 S4 O10 114.2(10) 2_655 . ?
O10 S4 O10 114.2(10) 2_655 3_665 ?
O10 S4 O10 114.2(10) . 3_665 ?
O10 S4 C58 104.2(13) 2_655 . ?
O10 S4 C58 104.2(13) . . ?
O10 S4 C58 104.2(13) 3_665 . ?
N4 C1 N1 117.5(17) . . ?
N4 C1 C2 120.7(17) . . ?
N1 C1 C2 121.7(18) . . ?
N2 C2 N3 118.5(17) . . ?
N2 C2 C1 120.4(18) . . ?
N3 C2 C1 120.1(18) . . ?
N2 C3 C4 131.6(19) . . ?
N2 C3 C8 107.7(17) . . ?
C4 C3 C8 120.7(19) . . ?
C5 C4 C3 118(2) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
C4 C5 C6 123(2) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 H5 118.7 . . ?
C7 C6 C5 119(2) . . ?
C7 C6 H6A 120.5 . . ?
C5 C6 H6A 120.5 . . ?
C8 C7 C6 119.7(19) . . ?
C8 C7 H7A 120.1 . . ?
C6 C7 H7A 120.1 . . ?
N3 C8 C7 131.4(19) . . ?
N3 C8 C3 108.4(18) . . ?
C7 C8 C3 120.2(19) . . ?
N4 C9 C14 108.7(17) . . ?
N4 C9 C10 132(2) . . ?
C14 C9 C10 119.4(19) . . ?
C11 C10 C9 118(2) . . ?
C11 C10 H10 121.1 . . ?
C9 C10 H10 121.1 . . ?
C12 C11 C10 123(2) . . ?
C12 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
C11 C12 C13 121.1(19) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C12 C13 C14 117.7(19) . . ?
C12 C13 H13 121.1 . . ?
C14 C13 H13 121.1 . . ?
N1 C14 C9 108.4(17) . . ?
N1 C14 C13 130.9(18) . . ?
C9 C14 C13 120.7(18) . . ?
N5 C15 C16 122(2) . . ?
N5 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
C17 C16 C15 118.2(19) . . ?
C17 C16 H16 120.9 . . ?
C15 C16 H16 120.9 . . ?
C16 C17 C18 118.9(19) . . ?
C16 C17 C20 124(2) . . ?
C18 C17 C20 117(2) . . ?
C19 C18 C17 118(2) . . ?
C19 C18 H18 121.0 . . ?
C17 C18 H18 121.0 . . ?
N5 C19 C18 125(2) . . ?
N5 C19 H19 117.3 . . ?
C18 C19 H19 117.3 . . ?
O1 C20 N6 122(2) . . ?
O1 C20 C17 120(2) . . ?
N6 C20 C17 117.7(19) . . ?
N6 C21 C22 111.3(17) . . ?
N6 C21 H21A 109.4 . . ?
C22 C21 H21A 109.4 . . ?
N6 C21 H21B 109.4 . . ?
C22 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C27 C22 C23 115.7(19) . . ?
C27 C22 C21 123.7(19) . . ?
C23 C22 C21 120.5(18) . . ?
C24 C23 C22 122(2) . . ?
C24 C23 H23 119.0 . . ?
C22 C23 H23 119.0 . . ?
C23 C24 C25 121.2(19) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C26 C25 C24 117.2(18) . . ?
C26 C25 C28 122.4(17) . . ?
C24 C25 C28 120.4(17) . . ?
C25 C26 C27 121.0(19) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C22 C27 C26 123(2) . . ?
C22 C27 H27 118.5 . . ?
C26 C27 H27 118.5 . . ?
N7 C28 C25 113.8(17) . . ?
N7 C28 H28A 108.8 . . ?
C25 C28 H28A 108.8 . . ?
N7 C28 H28B 108.8 . . ?
C25 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
O2 C29 N7 125(2) . . ?
O2 C29 C32 119.5(19) . . ?
N7 C29 C32 115.1(18) . . ?
C31 C30 N8 124(2) . . ?
C31 C30 H30 117.8 . . ?
N8 C30 H30 117.8 . . ?
C30 C31 C32 118.3(18) . . ?
C30 C31 H31 120.8 . . ?
C32 C31 H31 120.8 . . ?
C33 C32 C31 116.3(17) . . ?
C33 C32 C29 123.1(18) . . ?
C31 C32 C29 120.6(18) . . ?
C34 C33 C32 122(2) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
N8 C34 C33 122.1(19) . . ?
N8 C34 H34 119.0 . . ?
C33 C34 H34 119.0 . . ?
C39 C35 C36 110(2) . . ?
C39 C35 C40 126(2) . . ?
C36 C35 C40 124(2) . . ?
C39 C35 Rh1 69.1(11) . . ?
C36 C35 Rh1 68.4(11) . . ?
C40 C35 Rh1 128.7(18) . . ?
C35 C36 C37 106.8(18) . . ?
C35 C36 C41 129(2) . . ?
C37 C36 C41 124(2) . . ?
C35 C36 Rh1 72.8(11) . . ?
C37 C36 Rh1 71.1(11) . . ?
C41 C36 Rh1 127.8(18) . . ?
C38 C37 C42 128(2) . . ?
C38 C37 C36 107.4(18) . . ?
C42 C37 C36 124.9(19) . . ?
C38 C37 Rh1 70.2(13) . . ?
C42 C37 Rh1 128.0(14) . . ?
C36 C37 Rh1 68.9(12) . . ?
C37 C38 C39 107(2) . . ?
C37 C38 C43 126(2) . . ?
C39 C38 C43 127(2) . . ?
C37 C38 Rh1 70.5(13) . . ?
C39 C38 Rh1 69.2(14) . . ?
C43 C38 Rh1 127.7(16) . . ?
C35 C39 C38 108(2) . . ?
C35 C39 C44 130(2) . . ?
C38 C39 C44 122(2) . . ?
C35 C39 Rh1 73.2(13) . . ?
C38 C39 Rh1 70.6(12) . . ?
C44 C39 Rh1 129.7(17) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C49 108(2) . . ?
C46 C45 C50 125(2) . . ?
C49 C45 C50 127(2) . . ?
C46 C45 Rh2 70.6(13) . . ?
C49 C45 Rh2 70.9(13) . . ?
C50 C45 Rh2 132.2(17) . . ?
C47 C46 C51 127(2) . . ?
C47 C46 C45 107.7(19) . . ?
C51 C46 C45 125(2) . . ?
C47 C46 Rh2 69.9(12) . . ?
C51 C46 Rh2 127.2(18) . . ?
C45 C46 Rh2 70.0(12) . . ?
C46 C47 C48 110.5(19) . . ?
C46 C47 C52 124(2) . . ?
C48 C47 C52 125(2) . . ?
C46 C47 Rh2 71.5(12) . . ?
C48 C47 Rh2 70.4(12) . . ?
C52 C47 Rh2 128.0(16) . . ?
C49 C48 C53 126(2) . . ?
C49 C48 C47 105.9(19) . . ?
C53 C48 C47 128(2) . . ?
C49 C48 Rh2 71.2(13) . . ?
C53 C48 Rh2 129.3(17) . . ?
C47 C48 Rh2 69.6(12) . . ?
C48 C49 C45 108(2) . . ?
C48 C49 C54 125(3) . . ?
C45 C49 C54 127(3) . . ?
C48 C49 Rh2 69.5(12) . . ?
C45 C49 Rh2 69.3(13) . . ?
C54 C49 Rh2 125.6(16) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F2 C55 F1 107.8(18) . . ?
F2 C55 F3 106(2) . . ?
F1 C55 F3 107(2) . . ?
F2 C55 S1 112.7(19) . . ?
F1 C55 S1 112.2(18) . . ?
F3 C55 S1 110.8(15) . . ?
F4 C56 F5 107(2) . . ?
F4 C56 F6 109(2) . . ?
F5 C56 F6 104(2) . . ?
F4 C56 S2 112.8(17) . . ?
F5 C56 S2 112(2) . . ?
F6 C56 S2 112.1(16) . . ?
F7 C57 F7 105(3) 3_465 . ?
F7 C57 F7 105(3) 3_465 2_675 ?
F7 C57 F7 105(3) . 2_675 ?
F7 C57 S3 114(3) 3_465 . ?
F7 C57 S3 114(3) . . ?
F7 C57 S3 114(3) 2_675 . ?
F8 C58 F8 107(2) . 3_665 ?
F8 C58 F8 107(2) . 2_655 ?
F8 C58 F8 107(2) 3_665 2_655 ?
F8 C58 S4 112(2) . . ?
F8 C58 S4 112(2) 3_665 . ?
F8 C58 S4 112(2) 2_655 . ?

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
Sr1 O3 S1 O5 51(2) . . . . ?
Sr1 O3 S1 O4 -169.2(16) . . . . ?
Sr1 O3 S1 C55 -59.0(19) . . . . ?
C9 N4 C1 N1 0(2) . . . . ?
Rh2 N4 C1 N1 -178.1(13) . . . . ?
C9 N4 C1 C2 -175.7(17) . . . . ?
Rh2 N4 C1 C2 6(2) . . . . ?
C14 N1 C1 N4 0(2) . . . . ?
Rh1 N1 C1 N4 178.1(13) . . . . ?
C14 N1 C1 C2 175.4(17) . . . . ?
Rh1 N1 C1 C2 -6(2) . . . . ?
C3 N2 C2 N3 1(2) . . . . ?
Rh1 N2 C2 N3 178.0(13) . . . . ?
C3 N2 C2 C1 -167.0(17) . . . . ?
Rh1 N2 C2 C1 10(2) . . . . ?
C8 N3 C2 N2 -1(2) . . . . ?
Rh2 N3 C2 N2 179.0(13) . . . . ?
C8 N3 C2 C1 166.9(17) . . . . ?
Rh2 N3 C2 C1 -13(2) . . . . ?
N4 C1 C2 N2 173.0(17) . . . . ?
N1 C1 C2 N2 -3(3) . . . . ?
N4 C1 C2 N3 5(3) . . . . ?
N1 C1 C2 N3 -170.7(18) . . . . ?
C2 N2 C3 C4 178(2) . . . . ?
Rh1 N2 C3 C4 4(4) . . . . ?
C2 N2 C3 C8 -1(2) . . . . ?
Rh1 N2 C3 C8 -174.9(17) . . . . ?
N2 C3 C4 C5 -177(2) . . . . ?
C8 C3 C4 C5 1(3) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C4 C5 C6 C7 0(3) . . . . ?
C5 C6 C7 C8 0(3) . . . . ?
C2 N3 C8 C7 -177(2) . . . . ?
Rh2 N3 C8 C7 2(4) . . . . ?
C2 N3 C8 C3 1(2) . . . . ?
Rh2 N3 C8 C3 -180(2) . . . . ?
C6 C7 C8 N3 178.2(19) . . . . ?
C6 C7 C8 C3 0(3) . . . . ?
N2 C3 C8 N3 0(2) . . . . ?
C4 C3 C8 N3 -179.4(18) . . . . ?
N2 C3 C8 C7 178.2(17) . . . . ?
C4 C3 C8 C7 -1(3) . . . . ?
C1 N4 C9 C14 0(2) . . . . ?
Rh2 N4 C9 C14 176.9(17) . . . . ?
C1 N4 C9 C10 178(2) . . . . ?
Rh2 N4 C9 C10 -6(4) . . . . ?
N4 C9 C10 C11 179(2) . . . . ?
C14 C9 C10 C11 -4(3) . . . . ?
C9 C10 C11 C12 5(4) . . . . ?
C10 C11 C12 C13 -4(4) . . . . ?
C11 C12 C13 C14 2(3) . . . . ?
C1 N1 C14 C9 0(2) . . . . ?
Rh1 N1 C14 C9 -177(2) . . . . ?
C1 N1 C14 C13 180(2) . . . . ?
Rh1 N1 C14 C13 3(4) . . . . ?
N4 C9 C14 N1 0(2) . . . . ?
C10 C9 C14 N1 -178.1(19) . . . . ?
N4 C9 C14 C13 -179.7(17) . . . . ?
C10 C9 C14 C13 2(3) . . . . ?
C12 C13 C14 N1 179(2) . . . . ?
C12 C13 C14 C9 -2(3) . . . . ?
C19 N5 C15 C16 1(3) . . . . ?
Rh1 N5 C15 C16 -173.7(15) . . . . ?
N5 C15 C16 C17 3(3) . . . . ?
C15 C16 C17 C18 -2(3) . . . . ?
C15 C16 C17 C20 176(2) . . . . ?
C16 C17 C18 C19 -3(3) . . . . ?
C20 C17 C18 C19 179(2) . . . . ?
C15 N5 C19 C18 -7(3) . . . . ?
Rh1 N5 C19 C18 168.4(18) . . . . ?
C17 C18 C19 N5 8(4) . . . . ?
C21 N6 C20 O1 -5(3) . . . . ?
C21 N6 C20 C17 -179.5(18) . . . . ?
C16 C17 C20 O1 -152(2) . . . . ?
C18 C17 C20 O1 26(3) . . . . ?
C16 C17 C20 N6 23(3) . . . . ?
C18 C17 C20 N6 -159(2) . . . . ?
C20 N6 C21 C22 -89(2) . . . . ?
N6 C21 C22 C27 -35(3) . . . . ?
N6 C21 C22 C23 144(2) . . . . ?
C27 C22 C23 C24 -2(3) . . . . ?
C21 C22 C23 C24 180(2) . . . . ?
C22 C23 C24 C25 1(3) . . . . ?
C23 C24 C25 C26 -1(3) . . . . ?
C23 C24 C25 C28 179.1(18) . . . . ?
C24 C25 C26 C27 2(3) . . . . ?
C28 C25 C26 C27 -177.9(19) . . . . ?
C23 C22 C27 C26 3(3) . . . . ?
C21 C22 C27 C26 -178(2) . . . . ?
C25 C26 C27 C22 -4(3) . . . . ?
C29 N7 C28 C25 88(2) . . . . ?
C26 C25 C28 N7 -47(3) . . . . ?
C24 C25 C28 N7 133.2(19) . . . . ?
Sr1 O2 C29 N7 62(6) . . . . ?
Sr1 O2 C29 C32 -123(5) . . . . ?
C28 N7 C29 O2 4(3) . . . . ?
C28 N7 C29 C32 -171.3(17) . . . . ?
C34 N8 C30 C31 1(3) . . . . ?
Rh2 N8 C30 C31 -174.3(16) 2_665 . . . ?
N8 C30 C31 C32 -2(3) . . . . ?
C30 C31 C32 C33 2(3) . . . . ?
C30 C31 C32 C29 -176.7(18) . . . . ?
O2 C29 C32 C33 -149(2) . . . . ?
N7 C29 C32 C33 27(3) . . . . ?
O2 C29 C32 C31 29(3) . . . . ?
N7 C29 C32 C31 -154.9(18) . . . . ?
C31 C32 C33 C34 0(3) . . . . ?
C29 C32 C33 C34 178(2) . . . . ?
C30 N8 C34 C33 1(3) . . . . ?
Rh2 N8 C34 C33 176.3(17) 2_665 . . . ?
C32 C33 C34 N8 -1(3) . . . . ?
C39 C35 C36 C37 7(3) . . . . ?
C40 C35 C36 C37 -174(2) . . . . ?
Rh1 C35 C36 C37 63.4(14) . . . . ?
C39 C35 C36 C41 179(3) . . . . ?
C40 C35 C36 C41 -2(4) . . . . ?
Rh1 C35 C36 C41 -125(3) . . . . ?
C39 C35 C36 Rh1 -56.1(17) . . . . ?
C40 C35 C36 Rh1 123(2) . . . . ?
C35 C36 C37 C38 -5(2) . . . . ?
C41 C36 C37 C38 -177(2) . . . . ?
Rh1 C36 C37 C38 59.8(15) . . . . ?
C35 C36 C37 C42 173(2) . . . . ?
C41 C36 C37 C42 1(4) . . . . ?
Rh1 C36 C37 C42 -122(2) . . . . ?
C35 C36 C37 Rh1 -64.6(15) . . . . ?
C41 C36 C37 Rh1 123(2) . . . . ?
C42 C37 C38 C39 -177(2) . . . . ?
C36 C37 C38 C39 1(2) . . . . ?
Rh1 C37 C38 C39 59.7(15) . . . . ?
C42 C37 C38 C43 0(4) . . . . ?
C36 C37 C38 C43 178(2) . . . . ?
Rh1 C37 C38 C43 -123(2) . . . . ?
C42 C37 C38 Rh1 123(2) . . . . ?
C36 C37 C38 Rh1 -59.0(14) . . . . ?
C36 C35 C39 C38 -7(3) . . . . ?
C40 C35 C39 C38 174(2) . . . . ?
Rh1 C35 C39 C38 -62.6(15) . . . . ?
C36 C35 C39 C44 -176(2) . . . . ?
C40 C35 C39 C44 5(4) . . . . ?
Rh1 C35 C39 C44 128(3) . . . . ?
C36 C35 C39 Rh1 55.7(16) . . . . ?
C40 C35 C39 Rh1 -123(2) . . . . ?
C37 C38 C39 C35 4(3) . . . . ?
C43 C38 C39 C35 -174(2) . . . . ?
Rh1 C38 C39 C35 64.3(16) . . . . ?
C37 C38 C39 C44 174(2) . . . . ?
C43 C38 C39 C44 -3(4) . . . . ?
Rh1 C38 C39 C44 -125(2) . . . . ?
C37 C38 C39 Rh1 -60.6(15) . . . . ?
C43 C38 C39 Rh1 122(2) . . . . ?
C49 C45 C46 C47 -2(2) . . . . ?
C50 C45 C46 C47 -171(2) . . . . ?
Rh2 C45 C46 C47 60.0(15) . . . . ?
C49 C45 C46 C51 176(2) . . . . ?
C50 C45 C46 C51 6(4) . . . . ?
Rh2 C45 C46 C51 -122(2) . . . . ?
C49 C45 C46 Rh2 -61.6(15) . . . . ?
C50 C45 C46 Rh2 129(2) . . . . ?
C51 C46 C47 C48 -178(2) . . . . ?
C45 C46 C47 C48 0(2) . . . . ?
Rh2 C46 C47 C48 59.9(15) . . . . ?
C51 C46 C47 C52 -2(4) . . . . ?
C45 C46 C47 C52 176(2) . . . . ?
Rh2 C46 C47 C52 -124(2) . . . . ?
C51 C46 C47 Rh2 122(3) . . . . ?
C45 C46 C47 Rh2 -60.1(15) . . . . ?
C46 C47 C48 C49 2(2) . . . . ?
C52 C47 C48 C49 -174(2) . . . . ?
Rh2 C47 C48 C49 62.4(14) . . . . ?
C46 C47 C48 C53 175(2) . . . . ?
C52 C47 C48 C53 -1(4) . . . . ?
Rh2 C47 C48 C53 -125(3) . . . . ?
C46 C47 C48 Rh2 -60.5(15) . . . . ?
C52 C47 C48 Rh2 123(2) . . . . ?
C53 C48 C49 C45 -176(2) . . . . ?
C47 C48 C49 C45 -3(2) . . . . ?
Rh2 C48 C49 C45 58.6(15) . . . . ?
C53 C48 C49 C54 6(4) . . . . ?
C47 C48 C49 C54 179(2) . . . . ?
Rh2 C48 C49 C54 -120(2) . . . . ?
C53 C48 C49 Rh2 125(2) . . . . ?
C47 C48 C49 Rh2 -61.3(14) . . . . ?
C46 C45 C49 C48 3(2) . . . . ?
C50 C45 C49 C48 172(2) . . . . ?
Rh2 C45 C49 C48 -58.7(14) . . . . ?
C46 C45 C49 C54 -179(2) . . . . ?
C50 C45 C49 C54 -9(4) . . . . ?
Rh2 C45 C49 C54 120(2) . . . . ?
C46 C45 C49 Rh2 61.4(15) . . . . ?
C50 C45 C49 Rh2 -129(2) . . . . ?
O5 S1 C55 F2 175(2) . . . . ?
O4 S1 C55 F2 54(2) . . . . ?
O3 S1 C55 F2 -64(2) . . . . ?
O5 S1 C55 F1 53(2) . . . . ?
O4 S1 C55 F1 -68(2) . . . . ?
O3 S1 C55 F1 174.1(17) . . . . ?
O5 S1 C55 F3 -67(2) . . . . ?
O4 S1 C55 F3 171.7(19) . . . . ?
O3 S1 C55 F3 54(2) . . . . ?
O6 S2 C56 F4 -61(2) . . . . ?
O8 S2 C56 F4 -178.9(18) . . . . ?
O7 S2 C56 F4 59(2) . . . . ?
O6 S2 C56 F5 60(2) . . . . ?
O8 S2 C56 F5 -59(2) . . . . ?
O7 S2 C56 F5 179.6(18) . . . . ?
O6 S2 C56 F6 177(2) . . . . ?
O8 S2 C56 F6 58(2) . . . . ?
O7 S2 C56 F6 -64(2) . . . . ?
O9 S3 C57 F7 -70(2) 2_675 . . 3_465 ?
O9 S3 C57 F7 170(2) 3_465 . . 3_465 ?
O9 S3 C57 F7 50(2) . . . 3_465 ?
O9 S3 C57 F7 50(2) 2_675 . . . ?
O9 S3 C57 F7 -70(2) 3_465 . . . ?
O9 S3 C57 F7 170(2) . . . . ?
O9 S3 C57 F7 170(2) 2_675 . . 2_675 ?
O9 S3 C57 F7 50(2) 3_465 . . 2_675 ?
O9 S3 C57 F7 -70(2) . . . 2_675 ?
O10 S4 C58 F8 -62(3) 2_655 . . . ?
O10 S4 C58 F8 58(3) . . . . ?
O10 S4 C58 F8 178(3) 3_665 . . . ?
O10 S4 C58 F8 178(3) 2_655 . . 3_665 ?
O10 S4 C58 F8 -62(3) . . . 3_665 ?
O10 S4 C58 F8 58(3) 3_665 . . 3_665 ?
O10 S4 C58 F8 58(3) 2_655 . . 2_655 ?
O10 S4 C58 F8 178(3) . . . 2_655 ?
O10 S4 C58 F8 -62(3) 3_665 . . 2_655 ?

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
N7 H7 O6 0.88 2.12 2.96(2) 157.3 2_665
N6 H6 O10 0.88 2.06 2.91(3) 161.2 4_665

_refine_diff_density_max         1.710
_refine_diff_density_min         -0.853
_refine_diff_density_rms         0.179

####################################################################### 
# 
# 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_3b
_database_code_depnum_ccdc_archive 'CCDC 1964537'
loop_
_audit_author_name
_audit_author_address
'lilong dang' 'fudan university'
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C173 H189 F24 N24 O37.50 Rh6 S8 Sr'
_chemical_formula_weight         4622.03

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -0.5625 1.4257 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_space_group_name_Hall           'P 6c'

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

_cell_length_a                   22.564(3)
_cell_length_b                   22.564(3)
_cell_length_c                   20.375(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8984(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4140
_cell_measurement_theta_min      3.41
_cell_measurement_theta_max      29.44

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_F_000             4694
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.378
_shelx_estimated_absorpt_T_min   0.475
_shelx_estimated_absorpt_T_max   0.669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74772
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_av_R_equivalents  0.0779
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.408
_diffrn_reflns_theta_max         55.450
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11456
_reflns_number_gt                10667
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.943
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
 3 ISOR and 4 DFIX instructions were used to restrain anions 
 and solvent molecule so that there were 23 restraints in 
 the data. Hydrogen of methanol and water molecules could 
 not be found and others were put in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1953P)²+120.0435P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.22(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         11456
_refine_ls_number_parameters     825
_refine_ls_number_restraints     23
_refine_ls_R_factor_all          0.1109
_refine_ls_R_factor_gt           0.1065
_refine_ls_wR_factor_ref         0.3222
_refine_ls_wR_factor_gt          0.3181
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.075
_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
Rh1 Rh 0.25076(8) 0.21963(8) 0.61073(9) 0.0394(4) Uani 1 1 d . . . . .
Rh2 Rh 0.36088(7) 0.44262(8) 0.43957(9) 0.0371(4) Uani 1 1 d . . . . .
Sr1 Sr 0.666667 0.333333 0.27927(18) 0.0418(7) Uani 1 3 d S T P . .
S1 S 0.7968(3) 0.4994(3) 0.1958(3) 0.0528(14) Uani 1 1 d . . . . .
S2 S 0.3124(3) 0.9862(3) 0.4142(3) 0.0543(14) Uani 1 1 d . . . . .
S3 S 0.666667 0.333333 0.7269(8) 0.070(3) Uani 1 3 d S T P . .
S4 S 0.000000 0.000000 0.7409(12) 0.098(5) Uani 1 3 d S T P . .
O1 O 0.4637(11) 0.0773(10) 0.5808(12) 0.066(6) Uani 1 1 d . . . . .
O2 O 0.7638(9) 0.3528(8) 0.3507(8) 0.046(4) Uani 1 1 d . . . . .
O3 O 0.7693(10) 0.4464(10) 0.2434(9) 0.054(4) Uani 1 1 d . . . . .
O4 O 0.7959(16) 0.4802(15) 0.1308(12) 0.086(8) Uani 1 1 d . . . . .
O5 O 0.8586(12) 0.5569(14) 0.2165(16) 0.090(8) Uani 1 1 d . . . . .
O6 O 0.3511(12) 1.0558(13) 0.4123(13) 0.076(6) Uani 1 1 d . . . . .
O7 O 0.3327(14) 0.9574(16) 0.4663(12) 0.082(7) Uani 1 1 d . . . . .
O8 O 0.2979(11) 0.9511(11) 0.3526(11) 0.065(5) Uani 1 1 d . . . . .
O9 O 0.700(2) 0.405(2) 0.712(2) 0.141(16) Uani 1 1 d . . . . .
O10 O 0.041(2) 0.0704(18) 0.731(2) 0.119(11) Uani 1 1 d . . . . .
N1 N 0.3220(9) 0.3297(8) 0.6115(9) 0.037(3) Uani 1 1 d . . . . .
N2 N 0.2600(10) 0.2397(10) 0.5059(9) 0.040(4) Uani 1 1 d . . . . .
N3 N 0.3072(9) 0.3355(9) 0.4383(10) 0.038(3) Uani 1 1 d . . . . .
N4 N 0.3686(9) 0.4202(10) 0.5416(8) 0.038(4) Uani 1 1 d . . . . .
N5 N 0.3354(10) 0.2020(10) 0.6062(11) 0.046(4) Uani 1 1 d . . . . .
N6 N 0.5415(12) 0.1713(12) 0.6322(10) 0.050(5) Uani 1 1 d . . . . .
H6 H 0.551449 0.209434 0.652851 0.060 Uiso 1 1 calc R U . . .
N7 N 0.8164(10) 0.2988(9) 0.3950(10) 0.041(4) Uani 1 1 d . . . . .
H7 H 0.855293 0.304638 0.410802 0.050 Uiso 1 1 calc R U . . .
N8 N 0.9913(10) 0.5476(9) 0.4203(10) 0.043(4) Uani 1 1 d . . . . .
F1 F 0.7355(16) 0.5573(15) 0.2526(9) 0.099(8) Uani 1 1 d . . . . .
F2 F 0.7494(13) 0.5742(11) 0.1503(9) 0.079(6) Uani 1 1 d . . . . .
F3 F 0.6734(11) 0.4809(14) 0.1839(16) 0.103(8) Uani 1 1 d . . . . .
F4 F 0.2046(12) 0.9993(12) 0.3924(12) 0.085(6) Uani 1 1 d . . . . .
F5 F 0.1820(10) 0.9055(9) 0.4473(12) 0.087(6) Uani 1 1 d . . . . .
F6 F 0.2319(12) 1.0039(13) 0.4941(10) 0.086(6) Uani 1 1 d . . . . .
F7 F 0.7274(17) 0.356(3) 0.8372(19) 0.174(17) Uani 1 1 d D U . . .
F8 F 0.0647(19) 0.037(2) 0.852(2) 0.171(18) Uani 1 1 d D . . . .
C1 C 0.3267(11) 0.3541(11) 0.5521(12) 0.039(4) Uani 1 1 d . . . . .
C2 C 0.2962(13) 0.3099(13) 0.4981(11) 0.042(5) Uani 1 1 d . . . . .
C3 C 0.2449(11) 0.2181(10) 0.4428(12) 0.040(4) Uani 1 1 d . . . . .
C4 C 0.2082(14) 0.1490(13) 0.4163(15) 0.055(6) Uani 1 1 d . . . . .
H4 H 0.187420 0.109877 0.443944 0.067 Uiso 1 1 calc R U . . .
C5 C 0.2055(15) 0.1436(13) 0.3511(15) 0.059(7) Uani 1 1 d . . . . .
H5 H 0.184340 0.098882 0.332951 0.070 Uiso 1 1 calc R U . . .
C6 C 0.2310(17) 0.1981(17) 0.3078(16) 0.064(7) Uani 1 1 d . . . . .
H6A H 0.224125 0.189256 0.262080 0.077 Uiso 1 1 calc R U . . .
C7 C 0.2662(18) 0.2650(14) 0.3295(17) 0.066(8) Uani 1 1 d . . . . .
H7A H 0.284483 0.302616 0.300016 0.079 Uiso 1 1 calc R U . . .
C8 C 0.2734(13) 0.2743(13) 0.3994(11) 0.044(5) Uani 1 1 d . . . . .
C9 C 0.3975(11) 0.4426(11) 0.6022(10) 0.037(4) Uani 1 1 d . . . . .
C10 C 0.4468(13) 0.5038(13) 0.6266(12) 0.047(5) Uani 1 1 d . . . . .
H10 H 0.466479 0.542203 0.597940 0.057 Uiso 1 1 calc R U . . .
C11 C 0.4699(14) 0.5131(13) 0.6905(12) 0.049(5) Uani 1 1 d . . . . .
H11 H 0.505491 0.556327 0.705257 0.059 Uiso 1 1 calc R U . . .
C12 C 0.4382(14) 0.4555(14) 0.7342(12) 0.050(5) Uani 1 1 d . . . . .
H12 H 0.451907 0.461071 0.778882 0.060 Uiso 1 1 calc R U . . .
C13 C 0.3871(13) 0.3906(13) 0.7117(12) 0.046(5) Uani 1 1 d . . . . .
H13 H 0.366563 0.352694 0.740805 0.056 Uiso 1 1 calc R U . . .
C14 C 0.3677(12) 0.3835(12) 0.6470(11) 0.041(5) Uani 1 1 d . . . . .
C15 C 0.3840(12) 0.2264(12) 0.6491(11) 0.042(5) Uani 1 1 d . . . . .
H15 H 0.385518 0.258145 0.680564 0.051 Uiso 1 1 calc R U . . .
C16 C 0.4348(12) 0.2077(14) 0.6509(11) 0.047(5) Uani 1 1 d . . . . .
H16 H 0.469696 0.226805 0.683254 0.056 Uiso 1 1 calc R U . . .
C17 C 0.4342(12) 0.1619(13) 0.6062(12) 0.045(5) Uani 1 1 d . . . . .
C18 C 0.3789(13) 0.1336(13) 0.5620(12) 0.046(5) Uani 1 1 d . . . . .
H18 H 0.372381 0.098108 0.532761 0.055 Uiso 1 1 calc R U . . .
C19 C 0.3349(13) 0.1584(14) 0.5623(13) 0.053(6) Uani 1 1 d . . . . .
H19 H 0.301371 0.143255 0.528591 0.063 Uiso 1 1 calc R U . . .
C20 C 0.4823(15) 0.1365(13) 0.6052(13) 0.054(6) Uani 1 1 d . . . . .
C21 C 0.5945(14) 0.1493(14) 0.6296(12) 0.049(5) Uani 1 1 d . . . . .
H21A H 0.625653 0.169023 0.667615 0.059 Uiso 1 1 calc R U . . .
H21B H 0.571290 0.098819 0.633336 0.059 Uiso 1 1 calc R U . . .
C22 C 0.6351(11) 0.1705(12) 0.5690(13) 0.044(5) Uani 1 1 d . . . . .
C23 C 0.6555(12) 0.1276(12) 0.5392(12) 0.045(5) Uani 1 1 d . . . . .
H23 H 0.641047 0.083867 0.557900 0.054 Uiso 1 1 calc R U . . .
C24 C 0.6952(13) 0.1461(11) 0.4845(11) 0.043(5) Uani 1 1 d . . . . .
H24 H 0.708600 0.116061 0.465636 0.052 Uiso 1 1 calc R U . . .
C25 C 0.7167(11) 0.2120(10) 0.4554(13) 0.045(5) Uani 1 1 d . . . . .
C26 C 0.6986(14) 0.2524(14) 0.4843(12) 0.048(5) Uani 1 1 d . . . . .
H26 H 0.715651 0.297004 0.466738 0.058 Uiso 1 1 calc R U . . .
C27 C 0.6559(13) 0.2342(11) 0.5394(11) 0.044(5) Uani 1 1 d . . . . .
H27 H 0.641380 0.264128 0.556362 0.053 Uiso 1 1 calc R U . . .
C28 C 0.7572(12) 0.2283(12) 0.3918(12) 0.044(5) Uani 1 1 d . . . . .
H28A H 0.773495 0.195299 0.385255 0.053 Uiso 1 1 calc R U . . .
H28B H 0.727525 0.224169 0.354303 0.053 Uiso 1 1 calc R U . . .
C29 C 0.8141(11) 0.3533(11) 0.3754(10) 0.037(4) Uani 1 1 d . . . . .
C30 C 0.9481(13) 0.5389(15) 0.3677(12) 0.048(5) Uani 1 1 d . . . . .
H30 H 0.957511 0.577451 0.341521 0.057 Uiso 1 1 calc R U . . .
C31 C 0.8953(11) 0.4798(12) 0.3533(12) 0.041(5) Uani 1 1 d . . . . .
H31 H 0.868052 0.476655 0.316472 0.049 Uiso 1 1 calc R U . . .
C32 C 0.8779(11) 0.4226(12) 0.3886(11) 0.042(5) Uani 1 1 d . . . . .
C33 C 0.9213(13) 0.4279(14) 0.4400(13) 0.051(5) Uani 1 1 d . . . . .
H33 H 0.912754 0.388699 0.464739 0.062 Uiso 1 1 calc R U . . .
C34 C 0.9765(13) 0.4907(13) 0.4541(10) 0.046(5) Uani 1 1 d . . . . .
H34 H 1.005624 0.494119 0.489336 0.055 Uiso 1 1 calc R U . . .
C35 C 0.2070(12) 0.1635(12) 0.6996(12) 0.045(5) Uani 1 1 d . . . . .
C36 C 0.1950(13) 0.2214(13) 0.6942(12) 0.047(5) Uani 1 1 d . . . . .
C37 C 0.1576(12) 0.2128(11) 0.6376(13) 0.048(5) Uani 1 1 d D . . . .
C38 C 0.1426(10) 0.1473(11) 0.6102(17) 0.055(6) Uani 1 1 d D . . . .
C39 C 0.1768(13) 0.1214(14) 0.6441(15) 0.053(6) Uani 1 1 d . . . . .
C40 C 0.247(2) 0.1544(17) 0.7539(17) 0.072(10) Uani 1 1 d . . . . .
H40A H 0.216346 0.115132 0.781075 0.108 Uiso 1 1 calc R U . . .
H40B H 0.268922 0.195800 0.781099 0.108 Uiso 1 1 calc R U . . .
H40C H 0.282536 0.146500 0.734862 0.108 Uiso 1 1 calc R U . . .
C41 C 0.2141(15) 0.2764(14) 0.7416(13) 0.053(6) Uani 1 1 d . . . . .
H41A H 0.228131 0.319414 0.718216 0.079 Uiso 1 1 calc R U . . .
H41B H 0.252138 0.281101 0.768555 0.079 Uiso 1 1 calc R U . . .
H41C H 0.174796 0.265729 0.769766 0.079 Uiso 1 1 calc R U . . .
C42 C 0.1280(14) 0.2560(13) 0.6165(18) 0.057(6) Uani 1 1 d . . . . .
H42A H 0.099066 0.257473 0.651622 0.086 Uiso 1 1 calc R U . . .
H42B H 0.100353 0.236439 0.576849 0.086 Uiso 1 1 calc R U . . .
H42C H 0.165100 0.302554 0.607128 0.086 Uiso 1 1 calc R U . . .
C43 C 0.0978(14) 0.116(2) 0.5510(19) 0.075(10) Uani 1 1 d . . . . .
H43A H 0.118938 0.097182 0.521740 0.112 Uiso 1 1 calc R U . . .
H43B H 0.092425 0.150821 0.527604 0.112 Uiso 1 1 calc R U . . .
H43C H 0.052751 0.078921 0.564981 0.112 Uiso 1 1 calc R U . . .
C44 C 0.176(2) 0.0571(14) 0.6359(17) 0.078(11) Uani 1 1 d . . . . .
H44A H 0.146682 0.024655 0.669647 0.116 Uiso 1 1 calc R U . . .
H44B H 0.222570 0.064922 0.640231 0.116 Uiso 1 1 calc R U . . .
H44C H 0.157973 0.038267 0.592357 0.116 Uiso 1 1 calc R U . . .
C45 C 0.3515(17) 0.5310(13) 0.4574(13) 0.057(7) Uani 1 1 d . . . . .
C46 C 0.3965(14) 0.5446(13) 0.4005(15) 0.054(6) Uani 1 1 d . . . . .
C47 C 0.3551(14) 0.4939(15) 0.3538(14) 0.053(6) Uani 1 1 d . . . . .
C48 C 0.2857(14) 0.4500(15) 0.3805(14) 0.053(6) Uani 1 1 d . . . . .
C49 C 0.2877(12) 0.4769(14) 0.4458(12) 0.047(5) Uani 1 1 d . . . . .
C50 C 0.375(2) 0.577(2) 0.5193(19) 0.080(11) Uani 1 1 d . . . . .
H50A H 0.347433 0.600103 0.523294 0.120 Uiso 1 1 calc R U . . .
H50B H 0.423089 0.611734 0.515379 0.120 Uiso 1 1 calc R U . . .
H50C H 0.367568 0.549141 0.558341 0.120 Uiso 1 1 calc R U . . .
C51 C 0.4699(18) 0.5957(18) 0.389(3) 0.085(12) Uani 1 1 d . . . . .
H51A H 0.493796 0.572296 0.372954 0.127 Uiso 1 1 calc R U . . .
H51B H 0.490851 0.619489 0.430019 0.127 Uiso 1 1 calc R U . . .
H51C H 0.473340 0.629019 0.356014 0.127 Uiso 1 1 calc R U . . .
C52 C 0.3767(16) 0.489(2) 0.2848(14) 0.067(8) Uani 1 1 d . . . . .
H52A H 0.410837 0.534190 0.269253 0.100 Uiso 1 1 calc R U . . .
H52B H 0.336765 0.469439 0.255816 0.100 Uiso 1 1 calc R U . . .
H52C H 0.396647 0.458659 0.284751 0.100 Uiso 1 1 calc R U . . .
C53 C 0.2279(17) 0.4000(17) 0.3469(17) 0.068(8) Uani 1 1 d . . . . .
H53A H 0.195443 0.416347 0.340231 0.102 Uiso 1 1 calc R U . . .
H53B H 0.205991 0.357713 0.372755 0.102 Uiso 1 1 calc R U . . .
H53C H 0.241862 0.391005 0.304227 0.102 Uiso 1 1 calc R U . . .
C54 C 0.2294(19) 0.452(2) 0.4887(19) 0.078(10) Uani 1 1 d . . . . .
H54A H 0.199277 0.402840 0.481586 0.117 Uiso 1 1 calc R U . . .
H54B H 0.204377 0.476145 0.479230 0.117 Uiso 1 1 calc R U . . .
H54C H 0.244941 0.460184 0.534409 0.117 Uiso 1 1 calc R U . . .
C55 C 0.7362(16) 0.5293(14) 0.1947(13) 0.051(6) Uani 1 1 d . . . . .
C56 C 0.2289(15) 0.9738(13) 0.4370(18) 0.059(7) Uani 1 1 d . . . . .
C57 C 0.666667 0.333333 0.816(3) 0.10(3) Uani 1 3 d DS T P . .
C58 C 0.000000 0.000000 0.829(3) 0.071(14) Uani 1 3 d DS T P . .
O11 O 0.666667 0.333333 0.1518(19) 0.080(12) Uani 1 3 d S T P . .
C59 C 0.333(3) 0.302(4) 0.116(3) 0.14(2) Uani 1 1 d D U . . .
O12 O 0.3239(19) 0.301(3) 0.186(2) 0.163(18) Uani 1 1 d D U . . .
O13 O 0.666667 0.333333 0.430(10) 0.14(6) Uani 0.5 3 d S T 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
Rh1 C37 2.10(2) . ?
Rh1 C39 2.11(3) . ?
Rh1 C36 2.13(2) . ?
Rh1 N5 2.139(18) . ?
Rh1 C35 2.15(2) . ?
Rh1 C38 2.15(2) . ?
Rh1 N2 2.171(19) . ?
Rh1 N1 2.182(17) . ?
Rh2 N8 2.090(19) 2_655 ?
Rh2 N3 2.094(18) . ?
Rh2 C47 2.14(3) . ?
Rh2 C45 2.14(3) . ?
Rh2 C49 2.15(2) . ?
Rh2 C48 2.15(2) . ?
Rh2 N4 2.168(18) . ?
Rh2 C46 2.17(2) . ?
Sr1 O2 2.481(17) . ?
Sr1 O2 2.481(17) 3_665 ?
Sr1 O2 2.481(17) 2_655 ?
Sr1 O3 2.55(2) 3_665 ?
Sr1 O3 2.55(2) . ?
Sr1 O3 2.55(2) 2_655 ?
Sr1 O11 2.60(4) . ?
Sr1 O13 3.1(2) . ?
S1 O4 1.39(3) . ?
S1 O5 1.41(3) . ?
S1 O3 1.419(19) . ?
S1 C55 1.80(3) . ?
S2 O6 1.36(3) . ?
S2 O8 1.43(2) . ?
S2 O7 1.43(3) . ?
S2 C56 1.82(3) . ?
S3 O9 1.44(4) 3_665 ?
S3 O9 1.44(4) 2_655 ?
S3 O9 1.44(4) . ?
S3 C57 1.81(5) . ?
S4 O10 1.40(4) . ?
S4 O10 1.40(4) 2 ?
S4 O10 1.40(4) 3 ?
S4 C58 1.79(7) . ?
O1 C20 1.28(3) . ?
O2 C29 1.24(3) . ?
N1 C1 1.31(3) . ?
N1 C14 1.35(3) . ?
N2 C3 1.36(3) . ?
N2 C2 1.38(3) . ?
N3 C2 1.32(3) . ?
N3 C8 1.44(3) . ?
N4 C1 1.33(3) . ?
N4 C9 1.37(3) . ?
N5 C15 1.29(3) . ?
N5 C19 1.33(3) . ?
N6 C20 1.28(4) . ?
N6 C21 1.51(3) . ?
N6 H6 0.8800 . ?
N7 C29 1.32(3) . ?
N7 C28 1.48(3) . ?
N7 H7 0.8800 . ?
N8 C34 1.34(3) . ?
N8 C30 1.39(3) . ?
F1 C55 1.34(3) . ?
F2 C55 1.28(3) . ?
F3 C55 1.30(4) . ?
F4 C56 1.33(4) . ?
F5 C56 1.38(3) . ?
F6 C56 1.33(4) . ?
F7 C57 1.27(2) . ?
F8 C58 1.35(3) . ?
C1 C2 1.41(3) . ?
C3 C8 1.41(3) . ?
C3 C4 1.45(3) . ?
C4 C5 1.33(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.38(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.38(4) . ?
C6 H6A 0.9500 . ?
C7 C8 1.44(4) . ?
C7 H7A 0.9500 . ?
C9 C10 1.36(3) . ?
C9 C14 1.47(3) . ?
C10 C11 1.38(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.44(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.41(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.37(3) . ?
C13 H13 0.9500 . ?
C15 C16 1.41(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.37(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.41(3) . ?
C17 C20 1.46(4) . ?
C18 C19 1.36(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C21 C22 1.47(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.40(4) . ?
C22 C27 1.41(3) . ?
C23 C24 1.36(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.44(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.31(3) . ?
C25 C28 1.52(4) . ?
C26 C27 1.40(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C32 1.53(3) . ?
C30 C31 1.30(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.35(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.40(3) . ?
C33 C34 1.37(4) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C39 1.41(4) . ?
C35 C36 1.47(4) . ?
C35 C40 1.51(5) . ?
C36 C37 1.39(4) . ?
C36 C41 1.46(4) . ?
C37 C38 1.45(2) . ?
C37 C42 1.49(3) . ?
C38 C39 1.37(4) . ?
C38 C43 1.51(4) . ?
C39 C44 1.45(4) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C49 1.36(4) . ?
C45 C46 1.47(4) . ?
C45 C50 1.55(4) . ?
C46 C47 1.42(4) . ?
C46 C51 1.49(5) . ?
C47 C48 1.48(4) . ?
C47 C52 1.51(4) . ?
C48 C53 1.40(4) . ?
C48 C49 1.45(4) . ?
C49 C54 1.44(4) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C59 O12 1.43(4) . ?

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
C37 Rh1 C39 66.6(10) . . ?
C37 Rh1 C36 38.2(10) . . ?
C39 Rh1 C36 66.3(10) . . ?
C37 Rh1 N5 162.0(9) . . ?
C39 Rh1 N5 97.4(9) . . ?
C36 Rh1 N5 129.0(9) . . ?
C37 Rh1 C35 65.8(10) . . ?
C39 Rh1 C35 38.8(11) . . ?
C36 Rh1 C35 40.1(10) . . ?
N5 Rh1 C35 96.7(9) . . ?
C37 Rh1 C38 39.9(7) . . ?
C39 Rh1 C38 37.3(11) . . ?
C36 Rh1 C38 64.0(11) . . ?
N5 Rh1 C38 129.7(9) . . ?
C35 Rh1 C38 62.9(11) . . ?
C37 Rh1 N2 105.0(9) . . ?
C39 Rh1 N2 118.6(10) . . ?
C36 Rh1 N2 141.1(9) . . ?
N5 Rh1 N2 89.7(8) . . ?
C35 Rh1 N2 157.0(9) . . ?
C38 Rh1 N2 96.2(11) . . ?
C37 Rh1 N1 102.8(8) . . ?
C39 Rh1 N1 159.7(9) . . ?
C36 Rh1 N1 94.5(9) . . ?
N5 Rh1 N1 89.7(7) . . ?
C35 Rh1 N1 121.7(9) . . ?
C38 Rh1 N1 140.6(8) . . ?
N2 Rh1 N1 80.2(7) . . ?
N8 Rh2 N3 90.5(7) 2_655 . ?
N8 Rh2 C47 99.7(9) 2_655 . ?
N3 Rh2 C47 117.3(10) . . ?
N8 Rh2 C45 125.4(11) 2_655 . ?
N3 Rh2 C45 143.9(10) . . ?
C47 Rh2 C45 64.7(10) . . ?
N8 Rh2 C49 160.0(9) 2_655 . ?
N3 Rh2 C49 108.1(9) . . ?
C47 Rh2 C49 65.6(10) . . ?
C45 Rh2 C49 37.1(12) . . ?
N8 Rh2 C48 134.9(9) 2_655 . ?
N3 Rh2 C48 93.4(10) . . ?
C47 Rh2 C48 40.3(10) . . ?
C45 Rh2 C48 64.8(11) . . ?
C49 Rh2 C48 39.5(10) . . ?
N8 Rh2 N4 89.4(7) 2_655 . ?
N3 Rh2 N4 79.0(7) . . ?
C47 Rh2 N4 161.0(9) . . ?
C45 Rh2 N4 96.4(9) . . ?
C49 Rh2 N4 101.1(8) . . ?
C48 Rh2 N4 135.4(9) . . ?
N8 Rh2 C46 94.5(9) 2_655 . ?
N3 Rh2 C46 155.8(10) . . ?
C47 Rh2 C46 38.5(11) . . ?
C45 Rh2 C46 39.8(11) . . ?
C49 Rh2 C46 65.5(10) . . ?
C48 Rh2 C46 66.5(11) . . ?
N4 Rh2 C46 124.6(10) . . ?
O2 Sr1 O2 89.0(6) . 3_665 ?
O2 Sr1 O2 89.0(6) . 2_655 ?
O2 Sr1 O2 89.0(6) 3_665 2_655 ?
O2 Sr1 O3 81.6(6) . 3_665 ?
O2 Sr1 O3 73.2(6) 3_665 3_665 ?
O2 Sr1 O3 159.9(6) 2_655 3_665 ?
O2 Sr1 O3 73.2(6) . . ?
O2 Sr1 O3 159.9(6) 3_665 . ?
O2 Sr1 O3 81.6(6) 2_655 . ?
O3 Sr1 O3 112.1(4) 3_665 . ?
O2 Sr1 O3 159.9(6) . 2_655 ?
O2 Sr1 O3 81.6(6) 3_665 2_655 ?
O2 Sr1 O3 73.2(6) 2_655 2_655 ?
O3 Sr1 O3 112.1(4) 3_665 2_655 ?
O3 Sr1 O3 112.1(4) . 2_655 ?
O2 Sr1 O11 125.9(4) . . ?
O2 Sr1 O11 125.9(4) 3_665 . ?
O2 Sr1 O11 125.9(4) 2_655 . ?
O3 Sr1 O11 73.4(5) 3_665 . ?
O3 Sr1 O11 73.4(5) . . ?
O3 Sr1 O11 73.4(5) 2_655 . ?
O2 Sr1 O13 54.1(4) . . ?
O2 Sr1 O13 54.1(4) 3_665 . ?
O2 Sr1 O13 54.1(4) 2_655 . ?
O3 Sr1 O13 106.6(5) 3_665 . ?
O3 Sr1 O13 106.6(5) . . ?
O3 Sr1 O13 106.6(5) 2_655 . ?
O11 Sr1 O13 180.00(3) . . ?
O4 S1 O5 115.2(19) . . ?
O4 S1 O3 117.2(15) . . ?
O5 S1 O3 112.6(15) . . ?
O4 S1 C55 102.1(14) . . ?
O5 S1 C55 104.2(16) . . ?
O3 S1 C55 103.2(12) . . ?
O6 S2 O8 116.8(15) . . ?
O6 S2 O7 112.2(18) . . ?
O8 S2 O7 115.8(15) . . ?
O6 S2 C56 101.6(14) . . ?
O8 S2 C56 101.9(14) . . ?
O7 S2 C56 106.3(15) . . ?
O9 S3 O9 115.5(15) 3_665 2_655 ?
O9 S3 O9 115.5(15) 3_665 . ?
O9 S3 O9 115.5(15) 2_655 . ?
O9 S3 C57 102(2) 3_665 . ?
O9 S3 C57 102(2) 2_655 . ?
O9 S3 C57 102(2) . . ?
O10 S4 O10 118.0(10) . 2 ?
O10 S4 O10 118.0(10) . 3 ?
O10 S4 O10 118.0(10) 2 3 ?
O10 S4 C58 98(2) . . ?
O10 S4 C58 98(2) 2 . ?
O10 S4 C58 98(2) 3 . ?
C29 O2 Sr1 165.0(16) . . ?
S1 O3 Sr1 146.6(12) . . ?
C1 N1 C14 104.7(17) . . ?
C1 N1 Rh1 109.2(14) . . ?
C14 N1 Rh1 145.8(15) . . ?
C3 N2 C2 101.6(18) . . ?
C3 N2 Rh1 151.2(16) . . ?
C2 N2 Rh1 107.0(14) . . ?
C2 N3 C8 101.3(19) . . ?
C2 N3 Rh2 111.6(16) . . ?
C8 N3 Rh2 147.0(16) . . ?
C1 N4 C9 102.2(18) . . ?
C1 N4 Rh2 108.7(14) . . ?
C9 N4 Rh2 149.1(16) . . ?
C15 N5 C19 118(2) . . ?
C15 N5 Rh1 122.6(18) . . ?
C19 N5 Rh1 119.4(18) . . ?
C20 N6 C21 122(2) . . ?
C20 N6 H6 118.8 . . ?
C21 N6 H6 118.8 . . ?
C29 N7 C28 124(2) . . ?
C29 N7 H7 118.2 . . ?
C28 N7 H7 118.2 . . ?
C34 N8 C30 116(2) . . ?
C34 N8 Rh2 120.1(16) . 3_665 ?
C30 N8 Rh2 123.5(16) . 3_665 ?
N1 C1 N4 118.8(19) . . ?
N1 C1 C2 121(2) . . ?
N4 C1 C2 119(2) . . ?
N3 C2 N2 119(2) . . ?
N3 C2 C1 120(2) . . ?
N2 C2 C1 121(2) . . ?
N2 C3 C8 110.5(19) . . ?
N2 C3 C4 130(2) . . ?
C8 C3 C4 119(2) . . ?
C5 C4 C3 116(2) . . ?
C5 C4 H4 121.8 . . ?
C3 C4 H4 121.8 . . ?
C4 C5 C6 125(2) . . ?
C4 C5 H5 117.4 . . ?
C6 C5 H5 117.4 . . ?
C7 C6 C5 122(3) . . ?
C7 C6 H6A 119.2 . . ?
C5 C6 H6A 119.2 . . ?
C6 C7 C8 116(3) . . ?
C6 C7 H7A 122.0 . . ?
C8 C7 H7A 122.0 . . ?
C3 C8 C7 122(2) . . ?
C3 C8 N3 107.6(19) . . ?
C7 C8 N3 131(2) . . ?
C10 C9 N4 134(2) . . ?
C10 C9 C14 118(2) . . ?
N4 C9 C14 107.9(19) . . ?
C9 C10 C11 124(2) . . ?
C9 C10 H10 118.2 . . ?
C11 C10 H10 118.2 . . ?
C10 C11 C12 118(2) . . ?
C10 C11 H11 121.1 . . ?
C12 C11 H11 121.1 . . ?
C13 C12 C11 121(2) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C12 119(2) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
N1 C14 C13 133(2) . . ?
N1 C14 C9 106.3(18) . . ?
C13 C14 C9 121(2) . . ?
N5 C15 C16 122(2) . . ?
N5 C15 H15 118.8 . . ?
C16 C15 H15 118.8 . . ?
C17 C16 C15 120(2) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 116(2) . . ?
C16 C17 C20 125(2) . . ?
C18 C17 C20 119(2) . . ?
C19 C18 C17 118(2) . . ?
C19 C18 H18 120.8 . . ?
C17 C18 H18 120.8 . . ?
N5 C19 C18 125(2) . . ?
N5 C19 H19 117.6 . . ?
C18 C19 H19 117.6 . . ?
O1 C20 N6 120(3) . . ?
O1 C20 C17 120(3) . . ?
N6 C20 C17 120(2) . . ?
C22 C21 N6 113.0(19) . . ?
C22 C21 H21A 109.0 . . ?
N6 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
N6 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C23 C22 C27 118(2) . . ?
C23 C22 C21 120(2) . . ?
C27 C22 C21 122(2) . . ?
C24 C23 C22 122(2) . . ?
C24 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C23 C24 C25 119(2) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
C26 C25 C24 118(2) . . ?
C26 C25 C28 125(2) . . ?
C24 C25 C28 117(2) . . ?
C25 C26 C27 124(2) . . ?
C25 C26 H26 117.8 . . ?
C27 C26 H26 117.8 . . ?
C26 C27 C22 118(2) . . ?
C26 C27 H27 120.9 . . ?
C22 C27 H27 120.9 . . ?
N7 C28 C25 109.5(18) . . ?
N7 C28 H28A 109.8 . . ?
C25 C28 H28A 109.8 . . ?
N7 C28 H28B 109.8 . . ?
C25 C28 H28B 109.8 . . ?
H28A C28 H28B 108.2 . . ?
O2 C29 N7 125(2) . . ?
O2 C29 C32 118(2) . . ?
N7 C29 C32 116.3(19) . . ?
C31 C30 N8 122(2) . . ?
C31 C30 H30 118.8 . . ?
N8 C30 H30 118.8 . . ?
C30 C31 C32 123(2) . . ?
C30 C31 H31 118.7 . . ?
C32 C31 H31 118.7 . . ?
C31 C32 C33 117(2) . . ?
C31 C32 C29 124(2) . . ?
C33 C32 C29 119(2) . . ?
C34 C33 C32 119(2) . . ?
C34 C33 H33 120.6 . . ?
C32 C33 H33 120.6 . . ?
N8 C34 C33 123(2) . . ?
N8 C34 H34 118.5 . . ?
C33 C34 H34 118.5 . . ?
C39 C35 C36 107(2) . . ?
C39 C35 C40 128(2) . . ?
C36 C35 C40 125(2) . . ?
C39 C35 Rh1 69.3(15) . . ?
C36 C35 Rh1 69.3(13) . . ?
C40 C35 Rh1 124.7(18) . . ?
C37 C36 C41 125(2) . . ?
C37 C36 C35 108(2) . . ?
C41 C36 C35 127(2) . . ?
C37 C36 Rh1 69.9(14) . . ?
C41 C36 Rh1 128.3(18) . . ?
C35 C36 Rh1 70.6(13) . . ?
C36 C37 C38 106(2) . . ?
C36 C37 C42 126(2) . . ?
C38 C37 C42 127(2) . . ?
C36 C37 Rh1 71.9(14) . . ?
C38 C37 Rh1 72.0(12) . . ?
C42 C37 Rh1 129(2) . . ?
C39 C38 C37 110(2) . . ?
C39 C38 C43 126(3) . . ?
C37 C38 C43 123(3) . . ?
C39 C38 Rh1 69.7(14) . . ?
C37 C38 Rh1 68.2(11) . . ?
C43 C38 Rh1 127(2) . . ?
C38 C39 C35 108(2) . . ?
C38 C39 C44 130(3) . . ?
C35 C39 C44 122(3) . . ?
C38 C39 Rh1 73.0(15) . . ?
C35 C39 Rh1 71.9(14) . . ?
C44 C39 Rh1 128(2) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C49 C45 C46 111(2) . . ?
C49 C45 C50 126(3) . . ?
C46 C45 C50 122(3) . . ?
C49 C45 Rh2 71.7(14) . . ?
C46 C45 Rh2 71.3(15) . . ?
C50 C45 Rh2 127(2) . . ?
C47 C46 C45 105(2) . . ?
C47 C46 C51 123(3) . . ?
C45 C46 C51 132(3) . . ?
C47 C46 Rh2 69.3(15) . . ?
C45 C46 Rh2 68.9(14) . . ?
C51 C46 Rh2 124(2) . . ?
C46 C47 C48 110(2) . . ?
C46 C47 C52 125(3) . . ?
C48 C47 C52 124(3) . . ?
C46 C47 Rh2 72.2(15) . . ?
C48 C47 Rh2 70.5(14) . . ?
C52 C47 Rh2 127(2) . . ?
C53 C48 C49 127(3) . . ?
C53 C48 C47 127(3) . . ?
C49 C48 C47 105(2) . . ?
C53 C48 Rh2 131(2) . . ?
C49 C48 Rh2 70.0(12) . . ?
C47 C48 Rh2 69.2(14) . . ?
C45 C49 C54 126(3) . . ?
C45 C49 C48 109(2) . . ?
C54 C49 C48 124(3) . . ?
C45 C49 Rh2 71.2(14) . . ?
C54 C49 Rh2 128(2) . . ?
C48 C49 Rh2 70.5(12) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F2 C55 F3 106(3) . . ?
F2 C55 F1 108(2) . . ?
F3 C55 F1 106(3) . . ?
F2 C55 S1 113(2) . . ?
F3 C55 S1 113.5(19) . . ?
F1 C55 S1 111(2) . . ?
F6 C56 F4 108(2) . . ?
F6 C56 F5 105(3) . . ?
F4 C56 F5 110(3) . . ?
F6 C56 S2 111(2) . . ?
F4 C56 S2 112(2) . . ?
F5 C56 S2 111.5(18) . . ?
F7 C57 F7 109(3) 2_655 . ?
F7 C57 F7 109(3) 2_655 3_665 ?
F7 C57 F7 109(3) . 3_665 ?
F7 C57 S3 110(3) 2_655 . ?
F7 C57 S3 110(3) . . ?
F7 C57 S3 110(3) 3_665 . ?
F8 C58 F8 109(4) 3 . ?
F8 C58 F8 109(4) 3 2 ?
F8 C58 F8 109(4) . 2 ?
F8 C58 S4 110(4) 3 . ?
F8 C58 S4 110(4) . . ?
F8 C58 S4 110(4) 2 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 S1 O3 Sr1 -54(3) . . . . ?
O5 S1 O3 Sr1 169(2) . . . . ?
C55 S1 O3 Sr1 57(2) . . . . ?
C14 N1 C1 N4 -3(3) . . . . ?
Rh1 N1 C1 N4 -178.8(16) . . . . ?
C14 N1 C1 C2 167(2) . . . . ?
Rh1 N1 C1 C2 -8(3) . . . . ?
C9 N4 C1 N1 2(3) . . . . ?
Rh2 N4 C1 N1 -178.3(16) . . . . ?
C9 N4 C1 C2 -168(2) . . . . ?
Rh2 N4 C1 C2 11(2) . . . . ?
C8 N3 C2 N2 0(3) . . . . ?
Rh2 N3 C2 N2 178.6(16) . . . . ?
C8 N3 C2 C1 175(2) . . . . ?
Rh2 N3 C2 C1 -7(3) . . . . ?
C3 N2 C2 N3 -1(3) . . . . ?
Rh1 N2 C2 N3 -178.2(17) . . . . ?
C3 N2 C2 C1 -176(2) . . . . ?
Rh1 N2 C2 C1 7(3) . . . . ?
N1 C1 C2 N3 -174(2) . . . . ?
N4 C1 C2 N3 -3(3) . . . . ?
N1 C1 C2 N2 1(3) . . . . ?
N4 C1 C2 N2 171(2) . . . . ?
C2 N2 C3 C8 2(2) . . . . ?
Rh1 N2 C3 C8 176(3) . . . . ?
C2 N2 C3 C4 179(2) . . . . ?
Rh1 N2 C3 C4 -7(5) . . . . ?
N2 C3 C4 C5 -175(3) . . . . ?
C8 C3 C4 C5 1(4) . . . . ?
C3 C4 C5 C6 -4(5) . . . . ?
C4 C5 C6 C7 4(5) . . . . ?
C5 C6 C7 C8 -1(5) . . . . ?
N2 C3 C8 C7 179(3) . . . . ?
C4 C3 C8 C7 1(4) . . . . ?
N2 C3 C8 N3 -2(3) . . . . ?
C4 C3 C8 N3 -179(2) . . . . ?
C6 C7 C8 C3 -1(5) . . . . ?
C6 C7 C8 N3 179(3) . . . . ?
C2 N3 C8 C3 1(2) . . . . ?
Rh2 N3 C8 C3 -176.3(19) . . . . ?
C2 N3 C8 C7 -179(3) . . . . ?
Rh2 N3 C8 C7 3(5) . . . . ?
C1 N4 C9 C10 177(3) . . . . ?
Rh2 N4 C9 C10 -3(5) . . . . ?
C1 N4 C9 C14 0(2) . . . . ?
Rh2 N4 C9 C14 -180(2) . . . . ?
N4 C9 C10 C11 -177(2) . . . . ?
C14 C9 C10 C11 0(3) . . . . ?
C9 C10 C11 C12 -2(4) . . . . ?
C10 C11 C12 C13 2(4) . . . . ?
C11 C12 C13 C14 0(4) . . . . ?
C1 N1 C14 C13 -179(3) . . . . ?
Rh1 N1 C14 C13 -6(5) . . . . ?
C1 N1 C14 C9 2(2) . . . . ?
Rh1 N1 C14 C9 175.2(19) . . . . ?
C12 C13 C14 N1 179(2) . . . . ?
C12 C13 C14 C9 -2(4) . . . . ?
C10 C9 C14 N1 -178.8(19) . . . . ?
N4 C9 C14 N1 -1(2) . . . . ?
C10 C9 C14 C13 3(3) . . . . ?
N4 C9 C14 C13 -180(2) . . . . ?
C19 N5 C15 C16 -1(4) . . . . ?
Rh1 N5 C15 C16 171.6(18) . . . . ?
N5 C15 C16 C17 0(4) . . . . ?
C15 C16 C17 C18 -3(4) . . . . ?
C15 C16 C17 C20 -177(2) . . . . ?
C16 C17 C18 C19 7(4) . . . . ?
C20 C17 C18 C19 -179(2) . . . . ?
C15 N5 C19 C18 5(4) . . . . ?
Rh1 N5 C19 C18 -168(2) . . . . ?
C17 C18 C19 N5 -8(4) . . . . ?
C21 N6 C20 O1 7(4) . . . . ?
C21 N6 C20 C17 -177(2) . . . . ?
C16 C17 C20 O1 153(3) . . . . ?
C18 C17 C20 O1 -21(4) . . . . ?
C16 C17 C20 N6 -23(4) . . . . ?
C18 C17 C20 N6 163(2) . . . . ?
C20 N6 C21 C22 84(3) . . . . ?
N6 C21 C22 C23 -143(2) . . . . ?
N6 C21 C22 C27 38(3) . . . . ?
C27 C22 C23 C24 1(4) . . . . ?
C21 C22 C23 C24 -178(2) . . . . ?
C22 C23 C24 C25 -1(4) . . . . ?
C23 C24 C25 C26 2(4) . . . . ?
C23 C24 C25 C28 -176(2) . . . . ?
C24 C25 C26 C27 -4(4) . . . . ?
C28 C25 C26 C27 174(2) . . . . ?
C25 C26 C27 C22 5(4) . . . . ?
C23 C22 C27 C26 -3(3) . . . . ?
C21 C22 C27 C26 176(2) . . . . ?
C29 N7 C28 C25 -90(3) . . . . ?
C26 C25 C28 N7 47(3) . . . . ?
C24 C25 C28 N7 -135(2) . . . . ?
Sr1 O2 C29 N7 -61(7) . . . . ?
Sr1 O2 C29 C32 123(5) . . . . ?
C28 N7 C29 O2 -2(4) . . . . ?
C28 N7 C29 C32 174.0(19) . . . . ?
C34 N8 C30 C31 2(3) . . . . ?
Rh2 N8 C30 C31 173.6(19) 3_665 . . . ?
N8 C30 C31 C32 1(4) . . . . ?
C30 C31 C32 C33 -4(4) . . . . ?
C30 C31 C32 C29 176(2) . . . . ?
O2 C29 C32 C31 -29(3) . . . . ?
N7 C29 C32 C31 155(2) . . . . ?
O2 C29 C32 C33 151(2) . . . . ?
N7 C29 C32 C33 -25(3) . . . . ?
C31 C32 C33 C34 4(4) . . . . ?
C29 C32 C33 C34 -177(2) . . . . ?
C30 N8 C34 C33 -2(4) . . . . ?
Rh2 N8 C34 C33 -174(2) 3_665 . . . ?
C32 C33 C34 N8 -1(4) . . . . ?
C39 C35 C36 C37 1(3) . . . . ?
C40 C35 C36 C37 179(2) . . . . ?
Rh1 C35 C36 C37 60.2(17) . . . . ?
C39 C35 C36 C41 177(2) . . . . ?
C40 C35 C36 C41 -5(4) . . . . ?
Rh1 C35 C36 C41 -124(3) . . . . ?
C39 C35 C36 Rh1 -59.1(17) . . . . ?
C40 C35 C36 Rh1 119(2) . . . . ?
C41 C36 C37 C38 -172(2) . . . . ?
C35 C36 C37 C38 4(3) . . . . ?
Rh1 C36 C37 C38 64.3(16) . . . . ?
C41 C36 C37 C42 -3(4) . . . . ?
C35 C36 C37 C42 173(2) . . . . ?
Rh1 C36 C37 C42 -126(3) . . . . ?
C41 C36 C37 Rh1 123(2) . . . . ?
C35 C36 C37 Rh1 -60.6(16) . . . . ?
C36 C37 C38 C39 -7(3) . . . . ?
C42 C37 C38 C39 -177(3) . . . . ?
Rh1 C37 C38 C39 56.8(19) . . . . ?
C36 C37 C38 C43 175(2) . . . . ?
C42 C37 C38 C43 5(4) . . . . ?
Rh1 C37 C38 C43 -121(3) . . . . ?
C36 C37 C38 Rh1 -64.2(17) . . . . ?
C42 C37 C38 Rh1 126(3) . . . . ?
C37 C38 C39 C35 8(3) . . . . ?
C43 C38 C39 C35 -174(3) . . . . ?
Rh1 C38 C39 C35 64.0(18) . . . . ?
C37 C38 C39 C44 178(3) . . . . ?
C43 C38 C39 C44 -5(5) . . . . ?
Rh1 C38 C39 C44 -126(3) . . . . ?
C37 C38 C39 Rh1 -55.9(18) . . . . ?
C43 C38 C39 Rh1 122(3) . . . . ?
C36 C35 C39 C38 -6(3) . . . . ?
C40 C35 C39 C38 177(2) . . . . ?
Rh1 C35 C39 C38 -64.7(19) . . . . ?
C36 C35 C39 C44 -176(3) . . . . ?
C40 C35 C39 C44 6(4) . . . . ?
Rh1 C35 C39 C44 124(3) . . . . ?
C36 C35 C39 Rh1 59.1(16) . . . . ?
C40 C35 C39 Rh1 -118(3) . . . . ?
C49 C45 C46 C47 -1(3) . . . . ?
C50 C45 C46 C47 -176(2) . . . . ?
Rh2 C45 C46 C47 60.4(17) . . . . ?
C49 C45 C46 C51 -178(3) . . . . ?
C50 C45 C46 C51 6(5) . . . . ?
Rh2 C45 C46 C51 -117(3) . . . . ?
C49 C45 C46 Rh2 -61.0(18) . . . . ?
C50 C45 C46 Rh2 123(3) . . . . ?
C45 C46 C47 C48 1(3) . . . . ?
C51 C46 C47 C48 178(3) . . . . ?
Rh2 C46 C47 C48 60.7(18) . . . . ?
C45 C46 C47 C52 176(3) . . . . ?
C51 C46 C47 C52 -6(4) . . . . ?
Rh2 C46 C47 C52 -124(3) . . . . ?
C45 C46 C47 Rh2 -60.2(17) . . . . ?
C51 C46 C47 Rh2 118(3) . . . . ?
C46 C47 C48 C53 171(3) . . . . ?
C52 C47 C48 C53 -4(4) . . . . ?
Rh2 C47 C48 C53 -127(3) . . . . ?
C46 C47 C48 C49 0(3) . . . . ?
C52 C47 C48 C49 -176(3) . . . . ?
Rh2 C47 C48 C49 61.4(15) . . . . ?
C46 C47 C48 Rh2 -61.7(18) . . . . ?
C52 C47 C48 Rh2 123(3) . . . . ?
C46 C45 C49 C54 -176(3) . . . . ?
C50 C45 C49 C54 0(4) . . . . ?
Rh2 C45 C49 C54 124(3) . . . . ?
C46 C45 C49 C48 0(3) . . . . ?
C50 C45 C49 C48 176(2) . . . . ?
Rh2 C45 C49 C48 -60.4(16) . . . . ?
C46 C45 C49 Rh2 60.8(18) . . . . ?
C50 C45 C49 Rh2 -124(3) . . . . ?
C53 C48 C49 C45 -172(3) . . . . ?
C47 C48 C49 C45 0(3) . . . . ?
Rh2 C48 C49 C45 60.8(17) . . . . ?
C53 C48 C49 C54 4(4) . . . . ?
C47 C48 C49 C54 176(3) . . . . ?
Rh2 C48 C49 C54 -123(3) . . . . ?
C53 C48 C49 Rh2 127(3) . . . . ?
C47 C48 C49 Rh2 -60.8(16) . . . . ?
O4 S1 C55 F2 -53(3) . . . . ?
O5 S1 C55 F2 67(3) . . . . ?
O3 S1 C55 F2 -175(2) . . . . ?
O4 S1 C55 F3 67(3) . . . . ?
O5 S1 C55 F3 -173(2) . . . . ?
O3 S1 C55 F3 -55(3) . . . . ?
O4 S1 C55 F1 -173(2) . . . . ?
O5 S1 C55 F1 -53(3) . . . . ?
O3 S1 C55 F1 65(2) . . . . ?
O6 S2 C56 F6 -59(2) . . . . ?
O8 S2 C56 F6 -179(2) . . . . ?
O7 S2 C56 F6 59(3) . . . . ?
O6 S2 C56 F4 62(2) . . . . ?
O8 S2 C56 F4 -59(2) . . . . ?
O7 S2 C56 F4 179(2) . . . . ?
O6 S2 C56 F5 -175(3) . . . . ?
O8 S2 C56 F5 64(3) . . . . ?
O7 S2 C56 F5 -57(3) . . . . ?
O9 S3 C57 F7 170(3) 3_665 . . 2_655 ?
O9 S3 C57 F7 -70(3) 2_655 . . 2_655 ?
O9 S3 C57 F7 50(3) . . . 2_655 ?
O9 S3 C57 F7 50(3) 3_665 . . . ?
O9 S3 C57 F7 170(3) 2_655 . . . ?
O9 S3 C57 F7 -70(3) . . . . ?
O9 S3 C57 F7 -70(3) 3_665 . . 3_665 ?
O9 S3 C57 F7 50(3) 2_655 . . 3_665 ?
O9 S3 C57 F7 170(3) . . . 3_665 ?
O10 S4 C58 F8 -170(3) . . . 3 ?
O10 S4 C58 F8 70(3) 2 . . 3 ?
O10 S4 C58 F8 -50(3) 3 . . 3 ?
O10 S4 C58 F8 -50(3) . . . . ?
O10 S4 C58 F8 -170(3) 2 . . . ?
O10 S4 C58 F8 70(3) 3 . . . ?
O10 S4 C58 F8 70(3) . . . 2 ?
O10 S4 C58 F8 -50(3) 2 . . 2 ?
O10 S4 C58 F8 -170(3) 3 . . 2 ?

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
N6 H6 O9 0.88 2.07 2.92(5) 164.9 2_655
N7 H7 O6 0.88 2.12 2.94(3) 155.8 2_765

_refine_diff_density_max         2.627
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.262



####################################################################### 
# 
# 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_3a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1964536'
loop_
_audit_author_name
_audit_author_address
'lilong dang' 'fudan university'
_audit_update_record             
;
2019-11-08 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;
_audit_creation_date             2019-07-18
_audit_creation_method           
; 
Olex2 1.2-beta 
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998) 
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C170 H180 Ba2 F6 N24 O19 Rh6 S3, 4(C F3 O3 S), C H4 O'
_chemical_formula_sum            'C190 H252 Ba2 F30 N24 O60 Rh6 S14'
_chemical_formula_weight         5743.12
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0150 0.0070 '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'
Ba Ba -0.1860 7.2110 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0600 0.0410 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0410 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0160 2.8650 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2920 0.4250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   72.911(5)
_cell_length_b                   20.9282(14)
_cell_length_c                   33.246(2)
_cell_angle_alpha                90
_cell_angle_beta                 106.419(2)
_cell_angle_gamma                90
_cell_volume                     48661(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.86
_cell_measurement_theta_min      3.61
_shelx_estimated_absorpt_T_max   0.951
_shelx_estimated_absorpt_T_min   0.904
_exptl_absorpt_coefficient_mu    5.125
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.5487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
; 
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. 
wR2(int) was 0.1193 before and 0.0955 after correction. 
The Ratio of minimum to maximum transmission is 0.7308. 
The λ/2 correction factor is Not present. 
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             23328
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       88
_diffrn_reflns_limit_h_min       -88
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            245168
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.053
_diffrn_reflns_theta_min         2.766
_diffrn_ambient_temperature      173.05
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                38886
_reflns_number_total             46319
_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         2.503
_refine_diff_density_min         -1.691
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.346
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2061
_refine_ls_number_reflns         46319
_refine_ls_number_restraints     1070
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0929
_refine_ls_restrained_S_all      1.359
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2998
_refine_ls_wR_factor_ref         0.3130
_refine_special_details          
; 
 Two pentamethylcyclopentadienyl ligands (Cp* for short), 
 three triflate anions, one DMSO and one methanol molecules 
 were disordered and they were divided into two parts (67:33 
 for Cp*, 63:37, 65:35, 75:25 for anions, 53:47 for DMSO and 
 58:42 for methanol). 124 ISOR, 6 SIMU, 2 DANG and 72 DFIX 
 instructions were used to restrain anions, solvents and Cp* 
 fragments so that there were 1070 restraints in the data. 
 Hydrogen of some methanol and water molecules could not be 
 found and others were put in calculated positions. 
;
_olex2_refinement_description    
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups, All N(H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups 
2. Restrained distances 
 C103-C104 = C105-C106 = C107-C103 = C115-C116 
 1.4 with sigma of 0.02 
 C116-C117 = C117-C113 = C124-C125 = C125-C126 
 1.4 with sigma of 0.02 
 C126-C127 = C154-C155 
 1.4 with sigma of 0.02 
 C113-C118 = C117-C122 = C126-C131 = C127-C132 
 1.5 with sigma of 0.02 
 C144-C149 = C154-C159 
 1.5 with sigma of 0.02 
 S6'-C268 
 1.8 with sigma of 0.02 
 S2'-O10' = S2'-O11' = S2'-O12' = S3-O13 
 1.43 with sigma of 0.02 
 S6-O22 = S6-O23 = S6-O24 = S6'-O22' = S6'-O23' = S6'-O24' 
 1.43 with sigma of 0.02 
 S4-O17 = S5-O19 = S5-O20 = S5-O21 
 1.43 with sigma of 0.02 
 O22'-O23' = O22'-O24' = O23'-O24' 
 2.4 with sigma of 0.03 
 C164-F4 = C164-F5 = C164-F6 = C264-F4' = C264-F5' = C264-F6' 
 1.32 with sigma of 0.02 
 C165-F8 = C265-F7' = C265-F8' = C265-F9' 
 1.32 with sigma of 0.02 
 C167-F13 = C167-F14 = C167-F15 
 1.32 with sigma of 0.02 
 C168-F16 = C168-F17 = C168-F18 = C268-F16' = C268-F17' = C268-F18' 
 1.32 with sigma of 0.02 
 F7'-F8' = F7'-F9' = F8'-F9' = F16'-F17' = F16'-F18' = F17'-F18' 
 2.1 with sigma of 0.03 
 S6'-F17' 
 2.6 with sigma of 0.03 
 S21-O37 
 1.5 with sigma of 0.02 
 S11-C173 = S11-C174 = S21-C273 = S21-C274 
 1.8 with sigma of 0.02 
 C176-O40 = C177-O41 = C178-O42 = C278-O42' = C179-O44 
 1.42 with sigma of 0.02 
 O38-H38A 
 0.87 with sigma of 0.01 
 H44A-O12 
 1.8 with sigma of 0.15 
 C175-H38A 
 1.928073 with sigma of 0.02 
 Ba1-H38A 
 3.17753 with sigma of 0.02 
3. Uiso/Uaniso restraints and constraints 
C103 \\sim C104 \\sim C108 \\sim C203 \\sim C204 \\sim C208: within 2A with 
sigma of 0.02 and sigma for terminal atoms of 0.05 
C133 \\sim C134 \\sim C135 \\sim C138 \\sim C139 \\sim C233 \\sim C234 \\sim 
C235 \\sim C238 \\sim C239: within 2A with sigma of 0.02 and sigma for terminal 
atoms of 0.05 
O10 \\sim O10': within 2A with sigma of 0.02 and sigma for terminal atoms of 
0.05 
O14 \\sim O14': within 2A with sigma of 0.02 and sigma for terminal atoms of 
0.05 
C165 \\sim F8 \\sim C265 \\sim F8': within 2A with sigma of 0.02 and sigma for 
terminal atoms of 0.05 
O24 \\sim C268: within 2A with sigma of 0.02 and sigma for terminal atoms of 
0.05 
Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C105) \\sim Ueq, 
Uanis(C106) \\sim Ueq, Uanis(C107) \\sim Ueq, Uanis(C108) \\sim Ueq, 
Uanis(C109) \\sim Ueq, Uanis(C110) \\sim Ueq, Uanis(C111) \\sim Ueq, 
Uanis(C112) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C203) \\sim Ueq, Uanis(C204) \\sim Ueq, Uanis(C205) \\sim Ueq, 
Uanis(C206) \\sim Ueq, Uanis(C207) \\sim Ueq, Uanis(C208) \\sim Ueq, 
Uanis(C209) \\sim Ueq, Uanis(C210) \\sim Ueq, Uanis(C211) \\sim Ueq, 
Uanis(C212) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C133) \\sim Ueq, Uanis(C134) \\sim Ueq, Uanis(C135) \\sim Ueq, 
Uanis(C136) \\sim Ueq, Uanis(C137) \\sim Ueq, Uanis(C138) \\sim Ueq, 
Uanis(C139) \\sim Ueq, Uanis(C140) \\sim Ueq, Uanis(C141) \\sim Ueq, 
Uanis(C142) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C233) \\sim Ueq, Uanis(C234) \\sim Ueq, Uanis(C235) \\sim Ueq, 
Uanis(C236) \\sim Ueq, Uanis(C237) \\sim Ueq, Uanis(C238) \\sim Ueq, 
Uanis(C239) \\sim Ueq, Uanis(C240) \\sim Ueq, Uanis(C241) \\sim Ueq, 
Uanis(C242) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(S2) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(O11) \\sim Ueq, Uanis(O12) 
\\sim Ueq, Uanis(C164) \\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F5) \\sim Ueq, 
Uanis(F6) \\sim Ueq, Uanis(S2') \\sim Ueq, Uanis(O10') \\sim Ueq, Uanis(O11') 
\\sim Ueq, Uanis(O12') \\sim Ueq: with sigma of 0.02 and sigma for terminal 
atoms of 0.04 
Uanis(C264) \\sim Ueq, Uanis(F4') \\sim Ueq, Uanis(F5') \\sim Ueq, Uanis(F6') 
\\sim Ueq, Uanis(S3) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O14) \\sim Ueq, 
Uanis(O15) \\sim Ueq, Uanis(C165) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8) 
\\sim Ueq, Uanis(F9) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms 
of 0.04 
Uanis(S3') \\sim Ueq, Uanis(O13') \\sim Ueq, Uanis(O14') \\sim Ueq, Uanis(O15') 
\\sim Ueq, Uanis(C265) \\sim Ueq, Uanis(F7') \\sim Ueq, Uanis(F8') \\sim Ueq, 
Uanis(F9') \\sim Ueq, Uanis(S6) \\sim Ueq, Uanis(O22) \\sim Ueq, Uanis(O23) 
\\sim Ueq, Uanis(O24) \\sim Ueq: with sigma of 0.02 and sigma for terminal 
atoms of 0.04 
Uanis(C168) \\sim Ueq, Uanis(F16) \\sim Ueq, Uanis(F17) \\sim Ueq, Uanis(F18) 
\\sim Ueq, Uanis(S6') \\sim Ueq, Uanis(O22') \\sim Ueq, Uanis(O23') \\sim Ueq, 
Uanis(C268) \\sim Ueq, Uanis(F16') \\sim Ueq, Uanis(F17') \\sim Ueq, 
Uanis(F18') \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(S11) \\sim Ueq, Uanis(C173) \\sim Ueq, Uanis(C174) \\sim Ueq, Uanis(S21) 
\\sim Ueq, Uanis(C178) \\sim Ueq, Uanis(O42) \\sim Ueq, Uanis(C278) \\sim Ueq, 
Uanis(O42') \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C113) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C117) \\sim Ueq, 
Uanis(C126) \\sim Ueq, Uanis(C127) \\sim Ueq, Uanis(O19) \\sim Ueq, Uanis(O20) 
\\sim Ueq, Uanis(O21) \\sim Ueq, Uanis(C167) \\sim Ueq, Uanis(F13) \\sim Ueq, 
Uanis(F14) \\sim Ueq, Uanis(F15) \\sim Ueq: with sigma of 0.02 and sigma for 
terminal atoms of 0.04 
Uanis(C176) \\sim Ueq, Uanis(O40) \\sim Ueq, Uanis(C177) \\sim Ueq, Uanis(O41) 
\\sim Ueq, Uanis(C179) \\sim Ueq, Uanis(O44) \\sim Ueq, Uanis(C121) \\sim Ueq, 
Uanis(C122) \\sim Ueq, Uanis(C123) \\sim Ueq: with sigma of 0.02 and sigma for 
terminal atoms of 0.04 
Uanis(C128) \\sim Ueq, Uanis(C129) \\sim Ueq, Uanis(C130) \\sim Ueq, 
Uanis(C131) \\sim Ueq, Uanis(C132) \\sim Ueq, Uanis(C175) \\sim Ueq, Uanis(O43) 
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(O24') \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 
Uanis(C173) = Uanis(C273) 
Uanis(C174) = Uanis(C274) 
4. Others 
 Sof(C203)=Sof(C204)=Sof(C205)=Sof(C206)=Sof(C207)=Sof(C208)=Sof(H20A)= 
 Sof(H20B)=Sof(H20C)=Sof(C209)=Sof(H20D)=Sof(H20E)=Sof(H20F)=Sof(C210)= 
 Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C211)=Sof(H21D)=Sof(H21E)=Sof(H21F)= 
 Sof(C212)=Sof(H21G)=Sof(H21H)=Sof(H21I)=1-FVAR(1) 
 Sof(C103)=Sof(C104)=Sof(C105)=Sof(C106)=Sof(C107)=Sof(C108)=Sof(H10A)= 
 Sof(H10B)=Sof(H10C)=Sof(C109)=Sof(H10D)=Sof(H10E)=Sof(H10F)=Sof(C110)= 
 Sof(H11A)=Sof(H11B)=Sof(H11C)=Sof(C111)=Sof(H11D)=Sof(H11E)=Sof(H11F)= 
 Sof(C112)=Sof(H11G)=Sof(H11H)=Sof(H11I)=FVAR(1) 
 Sof(C233)=Sof(C234)=Sof(C235)=Sof(C236)=Sof(C237)=Sof(C238)=Sof(H23A)= 
 Sof(H23B)=Sof(H23C)=Sof(C239)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C240)= 
 Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C241)=Sof(H24D)=Sof(H24E)=Sof(H24F)= 
 Sof(C242)=Sof(H24G)=Sof(H24H)=Sof(H24I)=1-FVAR(2) 
 Sof(C133)=Sof(C134)=Sof(C135)=Sof(C136)=Sof(C137)=Sof(C138)=Sof(H13A)= 
 Sof(H13B)=Sof(H13C)=Sof(C139)=Sof(H13D)=Sof(H13E)=Sof(H13F)=Sof(C140)= 
 Sof(H14A)=Sof(H14B)=Sof(H14C)=Sof(C141)=Sof(H14D)=Sof(H14E)=Sof(H14F)= 
 Sof(C142)=Sof(H14G)=Sof(H14H)=Sof(H14I)=FVAR(2) 
 Sof(S3')=Sof(O13')=Sof(O14')=Sof(O15')=Sof(C265)=Sof(F7')=Sof(F8')=Sof(F9')=1- 
 FVAR(3) 
 Sof(S3)=Sof(O13)=Sof(O14)=Sof(O15)=Sof(C165)=Sof(F7)=Sof(F8)=Sof(F9)=FVAR(3) 
 Sof(S6')=Sof(O22')=Sof(O23')=Sof(O24')=Sof(C268)=Sof(F16')=Sof(F17')= 
 Sof(F18')=1-FVAR(4) 
 Sof(S6)=Sof(O22)=Sof(O23)=Sof(O24)=Sof(C168)=Sof(F16)=Sof(F17)=Sof(F18)=FVAR(4) 
 Sof(S2')=Sof(O10')=Sof(O11')=Sof(O12')=Sof(C264)=Sof(F4')=Sof(F5')=Sof(F6')=1- 
 FVAR(5) 
 Sof(S2)=Sof(O10)=Sof(O11)=Sof(O12)=Sof(C164)=Sof(F4)=Sof(F5)=Sof(F6)=FVAR(5) 
 Sof(S21)=Sof(C273)=Sof(H27A)=Sof(H27B)=Sof(H27C)=Sof(C274)=Sof(H27D)= 
 Sof(H27E)=Sof(H27F)=1-FVAR(6) 
 Sof(S11)=Sof(C173)=Sof(H17A)=Sof(H17B)=Sof(H17C)=Sof(C174)=Sof(H17D)= 
 Sof(H17E)=Sof(H17F)=FVAR(6) 
 Sof(C278)=Sof(O42')=1-FVAR(7) 
 Sof(C178)=Sof(O42)=FVAR(7) 
5.a : 
 C203(C204,C205,C206,C207,C208,C209,C210,C211,C212,C133,C134,C135,C136,C137, 
 C138,C139,C140,C141,C142,C233,C234,C235,C236,C237,C238,C239,C240,C241,C242,S2, 
 O10,O11,O12,C164,F4,F5,F6,S2',O10',O11',O12',C264,F4',F5',F6',S3,O13,O14,O15, 
 C165,F7,F8,F9,S3',O13',O14',O15',C265,F7',F8',F9',S6,O22,O23,O24,C168,F16,F17, 
 F18,S6',O22',O23',O24',C268,F16',F17',F18',O7,O8,O9,O16,O17,O18,O19,O20,O21,S1, 
 S4,S5,F1,F2,F3,F10,F11,F12,F13,F14,F15,C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12, 
 C13,C14,C15,C16,C17,C18,C19,C20,C21,C22,C23,C24,C25,C26,C27,C28,C29,C30,C31, 
 C32,C33,C34,C35,C36,C37,C38,C39,C40,C41,C42,C43,C44,C45,C46,C47,C48,C49,C50, 
 C51,C52,C53,C54,C55,C56,C57,C58,C59,C60,C61,C62,C63,C64,C65,C66,C67,C68,C69, 
 C70,C71,C72,C73,C74,C75,C76,C77,C78,C79,C80,C81,C82,C83,C84,C85,C86,C87,C88, 
 C89,C90,C91,C92,C93,C94,C95,C96,C97,C98,C99,C100,C101,C102,C113,C114,C115,C116, 
 C117,C118,C119,C120,C121,C122,C123,C124,C125,C126,C127,C128,C129,C130,C131, 
 C132,C143,C144,C145,C146,C147,C148,C149,C150,C151,C152,C153,C154,C155,C156, 
 C157,C158,C159,C160,C161,C162,C163,C166,C167,O37,S11,C173,C174,S21,C273,C274, 
 C175,C176,C177,O38,H38A,O39,H39A,H39B,O40,O41,C178,O42,C278,O42',C179,O43,O44) 
5.b Secondary CH2 refined with riding coordinates: 
 C49(H49A,H49B), C56(H56A,H56B), C69(H69A,H69B), C76(H76A,H76B), C89(H89A, 
 H89B), C96(H96A,H96B) 
5.c Me refined with riding coordinates: 
 C108(H10A,H10B,H10C), C112(H11G,H11H,H11I), C211(H21D,H21E,H21F), C238(H23A, 
 H23B,H23C), C239(H23D,H23E,H23F), C241(H24D,H24E,H24F), C118(H11J,H11K,H11L), 
 C122(H12G,H12H,H12I), C173(H17A,H17B,H17C), C274(H27D,H27E,H27F), C175(H17G, 
 H17H,H17I) 
5.d Aromatic/amide H refined with riding coordinates: 
 N14(H14), N15(H15), N18(H18), N19(H19), N22(H22), N23(H23), C4(H4), C5(H5), 
 C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13), C18(H18A), C19(H19A), 
 C20(H20), C21(H21), C24(H24), C25(H25), C26(H26), C27(H27), C32(H32), C33(H33), 
  C34(H34), C35(H35), C38(H38), C39(H39), C40(H40), C41(H41), C43(H43), 
 C44(H44), C46(H46), C47(H47), C51(H51), C52(H52), C54(H54), C55(H55), C58(H58), 
  C59(H59), C61(H61), C62(H62), C63(H63), C64(H64), C66(H66), C67(H67), 
 C71(H71), C72(H72), C74(H74), C75(H75), C78(H78), C79(H79), C81(H81), C82(H82), 
  C83(H83), C84(H84), C86(H86), C87(H87), C91(H91), C92(H92), C94(H94), 
 C95(H95), C98(H98), C99(H99), C101(H101), C102(H102) 
5.e Idealised Me refined as rotating group: 
 C109(H10D,H10E,H10F), C110(H11A,H11B,H11C), C111(H11D,H11E,H11F), C208(H20A, 
 H20B,H20C), C209(H20D,H20E,H20F), C210(H21A,H21B,H21C), C212(H21G,H21H,H21I), 
 C138(H13A,H13B,H13C), C139(H13D,H13E,H13F), C140(H14A,H14B,H14C), C141(H14D, 
 H14E,H14F), C142(H14G,H14H,H14I), C240(H24A,H24B,H24C), C242(H24G,H24H,H24I), 
 C119(H11M,H11N,H11O), C120(H12A,H12B,H12C), C121(H12D,H12E,H12F), C128(H12J, 
 H12K,H12L), C129(H12M,H12N,H12O), C130(H13G,H13H,H13I), C131(H13J,H13K,H13L), 
 C132(H13M,H13N,H13O), C148(H14J,H14K,H14L), C149(H14M,H14N,H14O), C150(H15A, 
 H15B,H15C), C151(H15D,H15E,H15F), C152(H15G,H15H,H15I), C158(H15J,H15K,H15L), 
 C159(H15M,H15N,H15O), C160(H16A,H16B,H16C), C161(H16D,H16E,H16F), C162(H16G, 
 H16H,H16I), C174(H17D,H17E,H17F), C273(H27A,H27B,H27C), C179(H17J,H17K,H17L) 
5.f Idealised tetrahedral OH refined as rotating group: 
 O44(H44A) 
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ba1 Ba 0.39093(2) 0.84060(2) 0.61942(2) 0.06707(13) Uani 1 1 d D . . . .
Ba2 Ba 0.35999(2) 0.68379(2) 0.88506(2) 0.07488(14) Uani 1 1 d . . . . .
Rh1 Rh 0.47184(2) 1.01043(2) 0.85924(2) 0.06523(14) Uani 1 1 d . . . . .
Rh2 Rh 0.41179(2) 1.07967(2) 0.92568(2) 0.06765(15) Uani 1 1 d . . . . .
Rh3 Rh 0.40410(2) 0.41161(3) 0.64142(2) 0.08614(19) Uani 1 1 d . . . . .
Rh4 Rh 0.44854(2) 0.43370(3) 0.80944(2) 0.07920(17) Uani 1 1 d . . . . .
Rh5 Rh 0.27085(2) 0.94103(3) 0.61922(2) 0.07257(16) Uani 1 1 d . . . . .
Rh6 Rh 0.25537(2) 0.69269(3) 0.66571(2) 0.07460(16) Uani 1 1 d . . . . .
N1 N 0.44596(7) 1.0685(2) 0.84319(16) 0.0605(11) Uani 1 1 d . . . . .
N2 N 0.45836(7) 0.9795(3) 0.90617(16) 0.0653(12) Uani 1 1 d . . . . .
N3 N 0.43482(8) 1.0102(3) 0.93499(15) 0.0675(12) Uani 1 1 d . . . . .
N4 N 0.42135(8) 1.0961(2) 0.86942(17) 0.0639(11) Uani 1 1 d . . . . .
N5 N 0.40232(11) 0.3924(3) 0.7047(2) 0.0847(16) Uani 1 1 d . . . . .
N6 N 0.43010(11) 0.4578(4) 0.6792(2) 0.0897(18) Uani 1 1 d . . . . .
N7 N 0.44744(10) 0.4708(3) 0.7475(2) 0.0837(16) Uani 1 1 d . . . . .
N8 N 0.42019(10) 0.4007(3) 0.77192(19) 0.0774(14) Uani 1 1 d . . . . .
N9 N 0.27064(8) 0.8422(3) 0.59747(17) 0.0667(12) Uani 1 1 d . . . . .
N10 N 0.26815(8) 0.8878(3) 0.67405(19) 0.0747(14) Uani 1 1 d . . . . .
N11 N 0.26025(8) 0.7892(4) 0.6913(2) 0.0806(16) Uani 1 1 d . . . . .
N12 N 0.26489(8) 0.7408(3) 0.61763(18) 0.0712(13) Uani 1 1 d . . . . .
N13 N 0.39231(8) 1.0079(2) 0.89424(15) 0.0624(11) Uani 1 1 d . . . . .
N14 N 0.33799(7) 0.8706(3) 0.80819(16) 0.0625(11) Uani 1 1 d . . . . .
H14 H 0.3354 0.9110 0.8016 0.075 Uiso 1 1 calc R . . . .
N15 N 0.34464(8) 0.6879(3) 0.62591(16) 0.0673(12) Uani 1 1 d . . . . .
H15 H 0.3382 0.6520 0.6239 0.081 Uiso 1 1 calc R . . . .
N16 N 0.38993(9) 0.5008(3) 0.64041(18) 0.0723(14) Uani 1 1 d . . . . .
N17 N 0.43539(9) 0.5166(3) 0.82560(19) 0.0721(13) Uani 1 1 d . . . . .
N18 N 0.42135(8) 0.7362(2) 0.87247(15) 0.0647(11) Uani 1 1 d . . . . .
H18 H 0.4335 0.7337 0.8734 0.078 Uiso 1 1 calc R . . . .
N19 N 0.37151(6) 0.9667(2) 0.71599(15) 0.0556(9) Uani 1 1 d . . . . .
H19 H 0.3650 0.9947 0.7261 0.067 Uiso 1 1 calc R . . . .
N20 N 0.30140(7) 0.9386(2) 0.64144(16) 0.0622(11) Uani 1 1 d . . . . .
N21 N 0.28403(8) 0.6693(3) 0.69853(18) 0.0700(13) Uani 1 1 d . . . . .
N22 N 0.35024(8) 0.5757(3) 0.75634(19) 0.0709(13) Uani 1 1 d . . . . .
H22 H 0.3445 0.5555 0.7329 0.085 Uiso 1 1 calc R . . . .
N23 N 0.43383(8) 0.7409(3) 0.73258(17) 0.0696(12) Uani 1 1 d . . . . .
H23 H 0.4437 0.7321 0.7542 0.084 Uiso 1 1 calc R . . . .
N24 N 0.45701(7) 0.9404(2) 0.81599(16) 0.0611(11) Uani 1 1 d . . . . .
O1 O 0.35917(7) 0.8018(2) 0.84892(14) 0.0671(10) Uani 1 1 d . . . . .
O2 O 0.37358(7) 0.7324(2) 0.63322(15) 0.0737(11) Uani 1 1 d . . . . .
O3 O 0.39390(8) 0.6818(2) 0.86384(17) 0.0785(12) Uani 1 1 d . . . . .
O4 O 0.37035(6) 0.8917(2) 0.66681(14) 0.0680(10) Uani 1 1 d . . . . .
O5 O 0.34759(7) 0.6508(2) 0.80352(15) 0.0735(11) Uani 1 1 d . . . . .
O6 O 0.41454(7) 0.8190(2) 0.69722(13) 0.0675(10) Uani 1 1 d . . . . .
C103 C 0.4988(2) 1.0300(8) 0.9038(5) 0.104(4) Uani 0.666(14) 1 d D U P A 1
C104 C 0.50136(17) 0.9769(8) 0.8816(5) 0.088(3) Uani 0.666(14) 1 d D U P A 1
C105 C 0.49785(15) 0.9973(5) 0.8397(4) 0.066(3) Uani 0.666(14) 1 d D U P A 1
C106 C 0.49157(18) 1.0620(6) 0.8337(5) 0.075(3) Uani 0.666(14) 1 d D U P A 1
C107 C 0.4927(2) 1.0831(8) 0.8784(5) 0.101(6) Uani 0.666(14) 1 d D U P A 1
C108 C 0.5027(3) 1.0252(13) 0.9523(6) 0.147(8) Uani 0.666(14) 1 d . U P A 1
H10A H 0.5002 1.0667 0.9634 0.221 Uiso 0.666(14) 1 calc R . P A 1
H10B H 0.4943 0.9928 0.9589 0.221 Uiso 0.666(14) 1 calc R . P A 1
H10C H 0.5161 1.0131 0.9650 0.221 Uiso 0.666(14) 1 calc R . P A 1
C109 C 0.5086(2) 0.9159(10) 0.8953(8) 0.129(7) Uani 0.666(14) 1 d . U P A 1
H10D H 0.5196 0.9201 0.9202 0.194 Uiso 0.666(14) 1 calc GR . P A 1
H10E H 0.5126 0.8945 0.8730 0.194 Uiso 0.666(14) 1 calc GR . P A 1
H10F H 0.4986 0.8905 0.9023 0.194 Uiso 0.666(14) 1 calc GR . P A 1
C110 C 0.4985(2) 0.9593(11) 0.8017(7) 0.128(7) Uani 0.666(14) 1 d . U P A 1
H11A H 0.4962 0.9140 0.8063 0.191 Uiso 0.666(14) 1 calc GR . P A 1
H11B H 0.5110 0.9642 0.7968 0.191 Uiso 0.666(14) 1 calc GR . P A 1
H11C H 0.4885 0.9748 0.7772 0.191 Uiso 0.666(14) 1 calc GR . P A 1
C111 C 0.4875(3) 1.0977(14) 0.7942(8) 0.167(11) Uani 0.666(14) 1 d . U P A 1
H11D H 0.4990 1.1209 0.7928 0.251 Uiso 0.666(14) 1 calc GR . P A 1
H11E H 0.4771 1.1282 0.7927 0.251 Uiso 0.666(14) 1 calc GR . P A 1
H11F H 0.4836 1.0679 0.7705 0.251 Uiso 0.666(14) 1 calc GR . P A 1
C112 C 0.4891(4) 1.1469(12) 0.8946(10) 0.166(10) Uani 0.666(14) 1 d . U P A 1
H11G H 0.4849 1.1769 0.8711 0.248 Uiso 0.666(14) 1 calc R . P A 1
H11H H 0.4792 1.1432 0.9091 0.248 Uiso 0.666(14) 1 calc R . P A 1
H11I H 0.5010 1.1626 0.9142 0.248 Uiso 0.666(14) 1 calc R . P A 1
C203 C 0.50038(2) 1.01619(5) 0.90899(3) 0.091(6) Uani 0.334(14) 1 d . U P A 2
C204 C 0.50150(2) 0.98824(5) 0.87068(3) 0.096(7) Uani 0.334(14) 1 d G U P A 2
C205 C 0.49503(2) 1.03429(5) 0.83822(3) 0.090(10) Uani 0.334(14) 1 d G U P A 2
C206 C 0.48990(2) 1.09072(5) 0.85646(3) 0.064(5) Uani 0.334(14) 1 d G U P A 2
C207 C 0.49321(2) 1.07952(5) 0.90019(3) 0.066(6) Uani 0.334(14) 1 d G U P A 2
C208 C 0.50586(2) 0.98420(5) 0.95158(3) 0.151(13) Uani 0.334(14) 1 d G U P A 2
H20A H 0.5013 0.9400 0.9487 0.227 Uiso 0.334(14) 1 calc GR . P A 2
H20B H 0.5001 1.0074 0.9705 0.227 Uiso 0.334(14) 1 calc GR . P A 2
H20C H 0.5198 0.9845 0.9631 0.227 Uiso 0.334(14) 1 calc GR . P A 2
C209 C 0.50837(2) 0.92130(5) 0.86541(3) 0.25(4) Uani 0.334(14) 1 d G U P A 2
H20D H 0.5052 0.9108 0.8355 0.371 Uiso 0.334(14) 1 calc GR . P A 2
H20E H 0.5021 0.8908 0.8797 0.371 Uiso 0.334(14) 1 calc GR . P A 2
H20F H 0.5223 0.9190 0.8777 0.371 Uiso 0.334(14) 1 calc GR . P A 2
C210 C 0.49380(2) 1.02493(5) 0.79237(3) 0.21(3) Uani 0.334(14) 1 d G U P A 2
H21A H 0.4823 1.0463 0.7750 0.320 Uiso 0.334(14) 1 calc GR . P A 2
H21B H 0.4931 0.9792 0.7859 0.320 Uiso 0.334(14) 1 calc GR . P A 2
H21C H 0.5052 1.0432 0.7866 0.320 Uiso 0.334(14) 1 calc GR . P A 2
C211 C 0.48228(2) 1.15185(5) 0.83340(3) 0.123(12) Uani 0.334(14) 1 d G U P A 2
H21D H 0.4814 1.1469 0.8036 0.184 Uiso 0.334(14) 1 calc R . P A 2
H21E H 0.4696 1.1610 0.8366 0.184 Uiso 0.334(14) 1 calc R . P A 2
H21F H 0.4910 1.1872 0.8451 0.184 Uiso 0.334(14) 1 calc R . P A 2
C212 C 0.48973(2) 1.12669(5) 0.93179(3) 0.124(12) Uani 0.334(14) 1 d G U P A 2
H21G H 0.4780 1.1152 0.9387 0.186 Uiso 0.334(14) 1 calc GR . P A 2
H21H H 0.4885 1.1698 0.9198 0.186 Uiso 0.334(14) 1 calc GR . P A 2
H21I H 0.5005 1.1256 0.9573 0.186 Uiso 0.334(14) 1 calc GR . P A 2
C133 C 0.46596(2) 0.34422(5) 0.81101(3) 0.112(4) Uani 0.669(17) 1 d G U P B 1
C134 C 0.47793(2) 0.39893(5) 0.81716(3) 0.117(4) Uani 0.669(17) 1 d G U P B 1
C135 C 0.47566(2) 0.43266(5) 0.85253(3) 0.116(4) Uani 0.669(17) 1 d G U P B 1
C136 C 0.46228(2) 0.39877(5) 0.86824(3) 0.133(7) Uani 0.669(17) 1 d G U P B 1
C137 C 0.45626(2) 0.34413(5) 0.84257(3) 0.081(4) Uani 0.669(17) 1 d G U P B 1
C138 C 0.46385(2) 0.29484(5) 0.77689(4) 0.155(8) Uani 0.669(17) 1 d G U P B 1
H13A H 0.4503 0.2838 0.7653 0.232 Uiso 0.669(17) 1 calc GR . P B 1
H13B H 0.4711 0.2564 0.7886 0.232 Uiso 0.669(17) 1 calc GR . P B 1
H13C H 0.4688 0.3122 0.7546 0.232 Uiso 0.669(17) 1 calc GR . P B 1
C139 C 0.49084(2) 0.41792(5) 0.79074(3) 0.152(8) Uani 0.669(17) 1 d G U P B 1
H13D H 0.5021 0.3898 0.7972 0.229 Uiso 0.669(17) 1 calc GR . P B 1
H13E H 0.4950 0.4623 0.7969 0.229 Uiso 0.669(17) 1 calc GR . P B 1
H13F H 0.4839 0.4140 0.7610 0.229 Uiso 0.669(17) 1 calc GR . P B 1
C140 C 0.48573(2) 0.49378(5) 0.87031(3) 0.222(17) Uani 0.669(17) 1 d G U P B 1
H14A H 0.4803 0.5295 0.8517 0.333 Uiso 0.669(17) 1 calc GR . P B 1
H14B H 0.4994 0.4899 0.8727 0.333 Uiso 0.669(17) 1 calc GR . P B 1
H14C H 0.4840 0.5016 0.8981 0.333 Uiso 0.669(17) 1 calc GR . P B 1
C141 C 0.45561(2) 0.41754(5) 0.90565(3) 0.213(16) Uani 0.669(17) 1 d G U P B 1
H14D H 0.4429 0.4373 0.8960 0.320 Uiso 0.669(17) 1 calc GR . P B 1
H14E H 0.4647 0.4481 0.9230 0.320 Uiso 0.669(17) 1 calc GR . P B 1
H14F H 0.4549 0.3794 0.9223 0.320 Uiso 0.669(17) 1 calc GR . P B 1
C142 C 0.44208(2) 0.29461(5) 0.84790(3) 0.156(10) Uani 0.669(17) 1 d G U P B 1
H14G H 0.4489 0.2563 0.8611 0.235 Uiso 0.669(17) 1 calc GR . P B 1
H14H H 0.4335 0.2834 0.8204 0.235 Uiso 0.669(17) 1 calc GR . P B 1
H14I H 0.4346 0.3119 0.8657 0.235 Uiso 0.669(17) 1 calc GR . P B 1
C233 C 0.46659(2) 0.35376(5) 0.81993(3) 0.093(5) Uani 0.331(17) 1 d G U P B 2
C234 C 0.47909(2) 0.40448(5) 0.81765(3) 0.119(5) Uani 0.331(17) 1 d G U P B 2
C235 C 0.47957(2) 0.44752(5) 0.85080(3) 0.116(6) Uani 0.331(17) 1 d G U P B 2
C236 C 0.46732(2) 0.42340(5) 0.87359(3) 0.068(6) Uani 0.331(17) 1 d G U P B 2
C237 C 0.45931(2) 0.36545(5) 0.85448(3) 0.123(13) Uani 0.331(17) 1 d G U P B 2
C238 C 0.46182(2) 0.29732(5) 0.79073(4) 0.138(11) Uani 0.331(17) 1 d G U P B 2
H23A H 0.4528 0.2693 0.7993 0.207 Uiso 0.331(17) 1 calc R . P B 2
H23B H 0.4560 0.3123 0.7620 0.207 Uiso 0.331(17) 1 calc R . P B 2
H23C H 0.4735 0.2735 0.7919 0.207 Uiso 0.331(17) 1 calc R . P B 2
C239 C 0.49001(2) 0.41142(5) 0.78562(3) 0.155(14) Uani 0.331(17) 1 d G U P B 2
H23D H 0.4976 0.4508 0.7911 0.232 Uiso 0.331(17) 1 calc R . P B 2
H23E H 0.4985 0.3746 0.7874 0.232 Uiso 0.331(17) 1 calc R . P B 2
H23F H 0.4810 0.4134 0.7575 0.232 Uiso 0.331(17) 1 calc R . P B 2
C240 C 0.49105(2) 0.50825(5) 0.86021(3) 0.147(17) Uani 0.331(17) 1 d G U P B 2
H24A H 0.4825 0.5451 0.8526 0.220 Uiso 0.331(17) 1 calc GR . P B 2
H24B H 0.5003 0.5092 0.8439 0.220 Uiso 0.331(17) 1 calc GR . P B 2
H24C H 0.4978 0.5100 0.8902 0.220 Uiso 0.331(17) 1 calc GR . P B 2
C241 C 0.46349(2) 0.45397(5) 0.91140(3) 0.154(17) Uani 0.331(17) 1 d G U P B 2
H24D H 0.4708 0.4937 0.9181 0.231 Uiso 0.331(17) 1 calc R . P B 2
H24E H 0.4498 0.4634 0.9054 0.231 Uiso 0.331(17) 1 calc R . P B 2
H24F H 0.4673 0.4247 0.9353 0.231 Uiso 0.331(17) 1 calc R . P B 2
C242 C 0.44544(2) 0.32361(5) 0.86848(3) 0.18(2) Uani 0.331(17) 1 d G U P B 2
H24G H 0.4365 0.3505 0.8781 0.267 Uiso 0.331(17) 1 calc GR . P B 2
H24H H 0.4525 0.2961 0.8915 0.267 Uiso 0.331(17) 1 calc GR . P B 2
H24I H 0.4383 0.2971 0.8450 0.267 Uiso 0.331(17) 1 calc GR . P B 2
S2 S 0.30789(2) 0.52672(4) 0.59017(2) 0.133(2) Uani 0.755(11) 1 d G U P C 1
O10 O 0.31619(2) 0.58516(3) 0.60805(2) 0.090(3) Uani 0.755(11) 1 d G U P C 1
O11 O 0.28855(2) 0.52408(4) 0.57061(3) 0.163(7) Uani 0.755(11) 1 d G U P C 1
O12 O 0.31678(2) 0.47277(4) 0.61516(2) 0.188(8) Uani 0.755(11) 1 d DG U P C 1
C164 C 0.31694(2) 0.52230(4) 0.54735(2) 0.135(6) Uani 0.755(11) 1 d DG U P C 1
F4 F 0.31253(2) 0.57244(4) 0.52133(2) 0.230(9) Uani 0.755(11) 1 d DG U P C 1
F5 F 0.33527(2) 0.51244(4) 0.55640(2) 0.256(11) Uani 0.755(11) 1 d DG U P C 1
F6 F 0.30993(2) 0.46961(4) 0.52329(3) 0.296(14) Uani 0.755(11) 1 d DG U P C 1
S2' S 0.31329(2) 0.53579(4) 0.57623(2) 0.131(6) Uani 0.245(11) 1 d DG U P C 2
O10' O 0.32058(2) 0.59298(3) 0.59746(2) 0.104(9) Uani 0.245(11) 1 d DG U P C 2
O11' O 0.29377(2) 0.53214(4) 0.55155(2) 0.156(17) Uani 0.245(11) 1 d DG U P C 2
O12' O 0.32442(2) 0.48163(4) 0.59598(2) 0.17(2) Uani 0.245(11) 1 d DG U P C 2
C264 C 0.32475(2) 0.55419(4) 0.53211(2) 0.116(14) Uani 0.245(11) 1 d DG U P C 2
F4' F 0.31934(2) 0.60960(4) 0.51297(2) 0.187(19) Uani 0.245(11) 1 d DG U P C 2
F5' F 0.34311(2) 0.55853(4) 0.55040(2) 0.140(12) Uani 0.245(11) 1 d DG U P C 2
F6' F 0.32026(2) 0.50301(4) 0.50754(2) 0.190(19) Uani 0.245(11) 1 d DG U P C 2
S3 S 0.44513(2) 0.06785(6) 0.66835(4) 0.1124(17) Uani 0.627(9) 1 d DG U P D 1
O13 O 0.43021(2) 0.01722(6) 0.66132(5) 0.107(4) Uani 0.627(9) 1 d DG U P D 1
O14 O 0.46101(2) 0.05201(6) 0.69507(5) 0.153(7) Uani 0.627(9) 1 d G U P D 1
O15 O 0.43699(2) 0.13045(6) 0.67493(4) 0.152(6) Uani 0.627(9) 1 d G U P D 1
C165 C 0.45050(2) 0.07665(6) 0.61386(5) 0.145(6) Uani 0.627(9) 1 d DG U P D 1
F7 F 0.43409(2) 0.10473(6) 0.59162(4) 0.214(10) Uani 0.627(9) 1 d G U P D 1
F8 F 0.46247(2) 0.12704(6) 0.62067(4) 0.182(6) Uani 0.627(9) 1 d DG U P D 1
F9 F 0.45388(3) 0.02127(7) 0.60347(5) 0.156(5) Uani 0.627(9) 1 d G U P D 1
S3' S 0.44698(2) 0.03161(6) 0.66180(5) 0.126(3) Uani 0.373(9) 1 d G U P D 2
O13' O 0.43000(2) 0.03757(6) 0.67755(4) 0.187(15) Uani 0.373(9) 1 d G U P D 2
O14' O 0.45978(2) 0.05187(6) 0.69500(5) 0.24(2) Uani 0.373(9) 1 d G U P D 2
O15' O 0.45232(3) -0.01210(7) 0.64578(5) 0.213(17) Uani 0.373(9) 1 d G U P D 2
C265 C 0.44745(2) 0.08403(6) 0.62026(4) 0.131(7) Uani 0.373(9) 1 d DG U P D 2
F7' F 0.43243(2) 0.07566(6) 0.58669(4) 0.110(5) Uani 0.373(9) 1 d DG U P D 2
F8' F 0.46341(2) 0.10701(7) 0.61457(4) 0.137(7) Uani 0.373(9) 1 d DG U P D 2
F9' F 0.44168(2) 0.14194(6) 0.63243(4) 0.29(2) Uani 0.373(9) 1 d DG U P D 2
S6 S 0.38881(2) 0.78264(4) 0.99091(3) 0.1203(18) Uani 0.653(8) 1 d DG U P E 1
O22 O 0.38112(2) 0.76310(4) 0.94944(2) 0.077(2) Uani 0.653(8) 1 d DG U P E 1
O23 O 0.37679(2) 0.75102(5) 1.01458(3) 0.218(11) Uani 0.653(8) 1 d DG U P E 1
O24 O 0.38693(2) 0.84272(5) 1.00934(3) 0.307(16) Uani 0.653(8) 1 d DG U P E 1
C168 C 0.41130(2) 0.74325(5) 1.00392(3) 0.144(7) Uani 0.653(8) 1 d DG U P E 1
F16 F 0.42169(2) 0.75394(4) 0.97685(2) 0.193(7) Uani 0.653(8) 1 d DG U P E 1
F17 F 0.42081(2) 0.75584(5) 1.04242(3) 0.205(8) Uani 0.653(8) 1 d DG U P E 1
F18 F 0.40578(2) 0.68066(5) 0.99916(3) 0.218(9) Uani 0.653(8) 1 d DG U P E 1
S6' S 0.38008(2) 0.76038(5) 0.99873(3) 0.165(6) Uani 0.347(8) 1 d DG U P E 2
O22' O 0.37070(2) 0.77525(4) 0.95405(2) 0.157(11) Uani 0.347(8) 1 d DG U P E 2
O23' O 0.36971(2) 0.72726(5) 1.02150(3) 0.179(14) Uani 0.347(8) 1 d DG U P E 2
O24' O 0.39615(2) 0.74024(4) 0.99295(3) 0.124(8) Uani 0.347(8) 1 d DG U P E 2
C268 C 0.38611(2) 0.83758(5) 1.02073(3) 0.31(3) Uani 0.347(8) 1 d DG U P E 2
F16' F 0.39671(2) 0.85946(5) 0.99830(3) 0.097(5) Uani 0.347(8) 1 d DG U P E 2
F17' F 0.36917(2) 0.86113(5) 1.01618(3) 0.35(4) Uani 0.347(8) 1 d DG U P E 2
F18' F 0.39881(2) 0.82014(5) 1.05486(3) 0.193(13) Uani 0.347(8) 1 d DG U P E 2
O7 O 0.32087(2) 1.00624(6) 0.28490(3) 0.0915(15) Uani 1 1 d G . . . .
O8 O 0.33308(2) 0.89942(6) 0.29470(3) 0.131(3) Uani 1 1 d G . . . .
O9 O 0.29907(2) 0.91731(6) 0.27142(3) 0.123(3) Uani 1 1 d G . . . .
O16 O 0.30191(2) 0.94739(4) 0.50647(2) 0.171(5) Uani 1 1 d G . . . .
O17 O 0.31783(2) 0.89636(4) 0.45865(2) 0.227(8) Uani 1 1 d DG . . . .
O18 O 0.33468(2) 0.94430(3) 0.53019(2) 0.193(6) Uani 1 1 d G . . . .
O19 O 0.39560(2) 0.80033(4) 0.54142(2) 0.160(4) Uani 1 1 d DG U . . .
O20 O 0.41178(2) 0.73610(4) 0.59776(2) 0.151(4) Uani 1 1 d DG U . . .
O21 O 0.42837(2) 0.74577(4) 0.54212(3) 0.273(10) Uani 1 1 d DG U . . .
S1 S 0.31727(2) 0.94008(6) 0.29275(3) 0.0944(6) Uani 1 1 d G . . . .
S4 S 0.31843(2) 0.94102(4) 0.49339(2) 0.1504(14) Uani 1 1 d DG . . . .
S5 S 0.41033(2) 0.74980(4) 0.55407(2) 0.174(2) Uani 1 1 d DG . . . .
F1 F 0.31589(2) 0.88197(5) 0.36096(3) 0.156(3) Uani 1 1 d G . . . .
F2 F 0.33348(2) 0.96744(5) 0.37194(3) 0.165(4) Uani 1 1 d G . . . .
F3 F 0.30221(2) 0.96967(5) 0.35202(3) 0.156(3) Uani 1 1 d G . . . .
F10 F 0.31975(2) 1.06234(4) 0.49218(3) 0.268(9) Uani 1 1 d G . . . .
F11 F 0.33406(2) 1.02532(4) 0.45249(3) 0.317(12) Uani 1 1 d G . . . .
F12 F 0.30659(2) 1.01879(4) 0.43365(3) 0.309(11) Uani 1 1 d G . . . .
F13 F 0.37900(2) 0.68008(4) 0.53123(2) 0.324(11) Uani 1 1 d DG U . . .
F14 F 0.39260(2) 0.68185(4) 0.48157(2) 0.355(13) Uani 1 1 d DG U . . .
F15 F 0.40793(2) 0.62558(4) 0.53286(2) 0.339(12) Uani 1 1 d DG U . . .
C1 C 0.43749(2) 1.06352(4) 0.87404(3) 0.0620(13) Uani 1 1 d G . . . .
C2 C 0.44421(2) 1.01899(4) 0.90660(3) 0.0667(14) Uani 1 1 d G . . . .
C3 C 0.45834(2) 0.93690(4) 0.93780(3) 0.0724(17) Uani 1 1 d G . . . .
C4 C 0.46922(2) 0.88264(5) 0.95162(3) 0.0824(19) Uani 1 1 d G . . . .
H4 H 0.4788 0.8682 0.9393 0.099 Uiso 1 1 calc R . . . .
C5 C 0.46503(2) 0.85005(5) 0.98572(3) 0.098(3) Uani 1 1 d G . . . .
H5 H 0.4724 0.8133 0.9967 0.117 Uiso 1 1 calc R . . . .
C6 C 0.45206(2) 0.86686(5) 1.00242(3) 0.109(3) Uani 1 1 d G . . . .
H6 H 0.4502 0.8420 1.0249 0.131 Uiso 1 1 calc R . . . .
C7 C 0.44016(2) 0.92154(5) 0.98885(3) 0.090(2) Uani 1 1 d G . . . .
H7 H 0.4304 0.9331 1.0013 0.108 Uiso 1 1 calc R . . . .
C8 C 0.44363(2) 0.95641(4) 0.95663(3) 0.0723(16) Uani 1 1 d G . . . .
C9 C 0.41828(2) 1.12594(4) 0.83064(3) 0.0644(13) Uani 1 1 d G . . . .
C10 C 0.40340(2) 1.16362(4) 0.80732(3) 0.0797(18) Uani 1 1 d G . . . .
H10 H 0.3931 1.1753 0.8179 0.096 Uiso 1 1 calc R . . . .
C11 C 0.40409(2) 1.18391(4) 0.76775(3) 0.091(2) Uani 1 1 d G . . . .
H11 H 0.3942 1.2103 0.7514 0.109 Uiso 1 1 calc R . . . .
C12 C 0.41949(2) 1.16561(4) 0.75160(3) 0.091(2) Uani 1 1 d G . . . .
H12 H 0.4194 1.1800 0.7245 0.110 Uiso 1 1 calc R . . . .
C13 C 0.43430(2) 1.12834(4) 0.77358(3) 0.0749(16) Uani 1 1 d G . . . .
H13 H 0.4444 1.1159 0.7623 0.090 Uiso 1 1 calc R . . . .
C14 C 0.43377(2) 1.10906(4) 0.81441(3) 0.0630(13) Uani 1 1 d G . . . .
C15 C 0.41855(2) 0.40921(4) 0.73284(3) 0.0817(19) Uani 1 1 d G . . . .
C16 C 0.43271(2) 0.44441(4) 0.71853(3) 0.083(2) Uani 1 1 d G . . . .
C17 C 0.44545(2) 0.49854(4) 0.68004(3) 0.094(2) Uani 1 1 d G . . . .
C18 C 0.45089(2) 0.53151(5) 0.64964(3) 0.113(3) Uani 1 1 d G . . . .
H18A H 0.4442 0.5255 0.6209 0.136 Uiso 1 1 calc R . . . .
C19 C 0.46609(2) 0.57337(5) 0.66069(3) 0.125(4) Uani 1 1 d G . . . .
H19A H 0.4696 0.5968 0.6396 0.150 Uiso 1 1 calc R . . . .
C20 C 0.47674(2) 0.58185(5) 0.70465(3) 0.118(3) Uani 1 1 d G . . . .
H20 H 0.4877 0.6086 0.7122 0.141 Uiso 1 1 calc R . . . .
C21 C 0.47097(2) 0.55194(5) 0.73360(3) 0.104(3) Uani 1 1 d G . . . .
H21 H 0.4772 0.5603 0.7623 0.125 Uiso 1 1 calc R . . . .
C22 C 0.45588(2) 0.50802(4) 0.72315(3) 0.085(2) Uani 1 1 d G . . . .
C23 C 0.40291(2) 0.37245(4) 0.77115(3) 0.0818(19) Uani 1 1 d G . . . .
C24 C 0.39620(2) 0.35435(4) 0.80506(3) 0.096(2) Uani 1 1 d G . . . .
H24 H 0.4032 0.3610 0.8335 0.115 Uiso 1 1 calc R . . . .
C25 C 0.37789(2) 0.32509(4) 0.79295(3) 0.114(3) Uani 1 1 d G . . . .
H25 H 0.3731 0.3074 0.8143 0.137 Uiso 1 1 calc R . . . .
C26 C 0.36711(2) 0.32110(4) 0.75367(3) 0.133(4) Uani 1 1 d G . . . .
H26 H 0.3545 0.3045 0.7483 0.160 Uiso 1 1 calc R . . . .
C27 C 0.37373(2) 0.34090(4) 0.71896(3) 0.119(4) Uani 1 1 d G . . . .
H27 H 0.3661 0.3364 0.6908 0.143 Uiso 1 1 calc R . . . .
C28 C 0.39208(2) 0.36729(4) 0.72902(3) 0.090(2) Uani 1 1 d G . . . .
C29 C 0.26316(2) 0.82793(4) 0.66241(3) 0.0702(15) Uani 1 1 d G . . . .
C30 C 0.26503(2) 0.80452(4) 0.62393(2) 0.0681(15) Uani 1 1 d G . . . .
C31 C 0.27117(2) 0.73549(4) 0.58160(2) 0.0680(14) Uani 1 1 d G . . . .
C32 C 0.27557(2) 0.68259(4) 0.56026(2) 0.0825(19) Uani 1 1 d G . . . .
H32 H 0.2734 0.6402 0.5679 0.099 Uiso 1 1 calc R . . . .
C33 C 0.28315(2) 0.69465(4) 0.52809(2) 0.097(2) Uani 1 1 d G . . . .
H33 H 0.2864 0.6592 0.5137 0.116 Uiso 1 1 calc R . . . .
C34 C 0.28647(2) 0.75599(4) 0.51485(2) 0.094(2) Uani 1 1 d G . . . .
H34 H 0.2916 0.7614 0.4918 0.112 Uiso 1 1 calc R . . . .
C35 C 0.28215(2) 0.80923(4) 0.53584(2) 0.0789(18) Uani 1 1 d G . . . .
H35 H 0.2844 0.8512 0.5273 0.095 Uiso 1 1 calc R . . . .
C36 C 0.27457(2) 0.80005(4) 0.56941(2) 0.0687(15) Uani 1 1 d G . . . .
C37 C 0.26831(2) 0.88915(4) 0.71615(3) 0.082(2) Uani 1 1 d G . . . .
C38 C 0.27360(2) 0.93668(5) 0.74592(3) 0.102(3) Uani 1 1 d G . . . .
H38 H 0.2770 0.9780 0.7386 0.123 Uiso 1 1 calc R . . . .
C39 C 0.27385(2) 0.92237(5) 0.78783(3) 0.112(3) Uani 1 1 d G . . . .
H39 H 0.2776 0.9544 0.8088 0.134 Uiso 1 1 calc R . . . .
C40 C 0.26908(2) 0.86602(5) 0.79790(3) 0.114(3) Uani 1 1 d G . . . .
H40 H 0.2693 0.8588 0.8262 0.137 Uiso 1 1 calc R . . . .
C41 C 0.26330(2) 0.81193(5) 0.76770(3) 0.099(3) Uani 1 1 d G . . . .
H41 H 0.2597 0.7711 0.7754 0.119 Uiso 1 1 calc R . . . .
C42 C 0.26374(2) 0.82696(5) 0.72718(3) 0.085(2) Uani 1 1 d G . . . .
C43 C 0.38090(2) 1.01458(4) 0.85499(2) 0.0583(12) Uani 1 1 d G . . . .
H43 H 0.3820 1.0522 0.8399 0.070 Uiso 1 1 calc R . . . .
C44 C 0.36748(2) 0.96844(3) 0.83544(2) 0.0587(12) Uani 1 1 d G . . . .
H44 H 0.3591 0.9753 0.8081 0.070 Uiso 1 1 calc R . . . .
C45 C 0.36671(2) 0.91157(3) 0.85737(2) 0.0578(12) Uani 1 1 d G . . . .
C46 C 0.37858(2) 0.90482(4) 0.89704(2) 0.0651(13) Uani 1 1 d G . . . .
H46 H 0.3783 0.8667 0.9124 0.078 Uiso 1 1 calc R . . . .
C47 C 0.39099(2) 0.95344(4) 0.91479(2) 0.0681(14) Uani 1 1 d G . . . .
H47 H 0.3989 0.9483 0.9427 0.082 Uiso 1 1 calc R . . . .
C48 C 0.35368(2) 0.85667(3) 0.83730(2) 0.0597(12) Uani 1 1 d G . . . .
C49 C 0.32437(2) 0.82160(3) 0.78587(2) 0.0684(14) Uani 1 1 d G . . . .
H49A H 0.3112 0.8380 0.7812 0.082 Uiso 1 1 calc R . . . .
H49B H 0.3257 0.7831 0.8038 0.082 Uiso 1 1 calc R . . . .
C50 C 0.32722(2) 0.80278(3) 0.74411(2) 0.0587(12) Uani 1 1 d G . . . .
C51 C 0.31170(2) 0.80180(3) 0.70837(2) 0.0624(13) Uani 1 1 d G . . . .
H51 H 0.2994 0.8134 0.7103 0.075 Uiso 1 1 calc R . . . .
C52 C 0.31406(2) 0.78421(3) 0.67039(2) 0.0611(13) Uani 1 1 d G . . . .
H52 H 0.3033 0.7844 0.6462 0.073 Uiso 1 1 calc R . . . .
C53 C 0.33191(2) 0.76604(3) 0.66674(2) 0.0571(12) Uani 1 1 d G . . . .
C54 C 0.34740(2) 0.76779(3) 0.70288(2) 0.0601(12) Uani 1 1 d G . . . .
H54 H 0.3598 0.7568 0.7011 0.072 Uiso 1 1 calc R . . . .
C55 C 0.34502(2) 0.78503(3) 0.74084(2) 0.0598(12) Uani 1 1 d G . . . .
H55 H 0.3557 0.7848 0.7651 0.072 Uiso 1 1 calc R . . . .
C56 C 0.33425(2) 0.74862(3) 0.62399(2) 0.0702(15) Uani 1 1 d G . . . .
H56A H 0.3215 0.7449 0.6034 0.084 Uiso 1 1 calc R . . . .
H56B H 0.3413 0.7830 0.6144 0.084 Uiso 1 1 calc R . . . .
C57 C 0.36346(2) 0.68475(3) 0.63060(2) 0.0615(13) Uani 1 1 d G . . . .
C58 C 0.39729(2) 0.55188(4) 0.62608(2) 0.0769(17) Uani 1 1 d G . . . .
H58 H 0.4090 0.5469 0.6191 0.092 Uiso 1 1 calc R . . . .
C59 C 0.38865(2) 0.61170(3) 0.62095(2) 0.0716(15) Uani 1 1 d G . . . .
H59 H 0.3938 0.6461 0.6089 0.086 Uiso 1 1 calc R . . . .
C60 C 0.37235(2) 0.61952(3) 0.63403(2) 0.0662(14) Uani 1 1 d G . . . .
C61 C 0.36466(2) 0.56602(3) 0.64922(2) 0.0685(15) Uani 1 1 d G . . . .
H61 H 0.3533 0.5695 0.6575 0.082 Uiso 1 1 calc R . . . .
C62 C 0.37412(2) 0.50822(3) 0.65174(2) 0.0748(17) Uani 1 1 d G . . . .
H62 H 0.3690 0.4721 0.6621 0.090 Uiso 1 1 calc R . . . .
C63 C 0.44125(2) 0.57684(4) 0.81783(2) 0.0728(16) Uani 1 1 d G . . . .
H63 H 0.4507 0.5805 0.8032 0.087 Uiso 1 1 calc R . . . .
C64 C 0.43428(2) 0.63066(4) 0.83004(2) 0.0707(15) Uani 1 1 d G . . . .
H64 H 0.4390 0.6712 0.8247 0.085 Uiso 1 1 calc R . . . .
C65 C 0.41991(2) 0.62602(3) 0.85085(2) 0.0718(16) Uani 1 1 d G . . . .
C66 C 0.41363(2) 0.56606(4) 0.85780(2) 0.0737(16) Uani 1 1 d G . . . .
H66 H 0.4038 0.5613 0.8711 0.088 Uiso 1 1 calc R . . . .
C67 C 0.42184(2) 0.51259(4) 0.84526(2) 0.0809(19) Uani 1 1 d G . . . .
H67 H 0.4176 0.4715 0.8509 0.097 Uiso 1 1 calc R . . . .
C68 C 0.41073(2) 0.68408(3) 0.86272(2) 0.0683(15) Uani 1 1 d G . . . .
C69 C 0.41400(2) 0.79786(3) 0.88179(2) 0.0701(15) Uani 1 1 d G . . . .
H69A H 0.4239 0.8193 0.9044 0.084 Uiso 1 1 calc R . . . .
H69B H 0.4027 0.7905 0.8922 0.084 Uiso 1 1 calc R . . . .
C70 C 0.40851(2) 0.84019(3) 0.84465(2) 0.0579(12) Uani 1 1 d G . . . .
C71 C 0.39610(2) 0.81964(3) 0.80652(2) 0.0573(12) Uani 1 1 d G . . . .
H71 H 0.3909 0.7778 0.8049 0.069 Uiso 1 1 calc R . . . .
C72 C 0.39112(2) 0.85783(3) 0.77118(2) 0.0564(11) Uani 1 1 d G . . . .
H72 H 0.3832 0.8415 0.7455 0.068 Uiso 1 1 calc R . . . .
C73 C 0.39792(2) 0.92100(3) 0.77355(2) 0.0522(10) Uani 1 1 d G . . . .
C74 C 0.40973(2) 0.94322(3) 0.81137(2) 0.0545(11) Uani 1 1 d G . . . .
H74 H 0.4142 0.9861 0.8136 0.065 Uiso 1 1 calc R . . . .
C75 C 0.41502(2) 0.90304(3) 0.84588(2) 0.0576(12) Uani 1 1 d G . . . .
H75 H 0.4234 0.9189 0.8713 0.069 Uiso 1 1 calc R . . . .
C76 C 0.39233(2) 0.96288(3) 0.73495(2) 0.0589(12) Uani 1 1 d G . . . .
H76A H 0.3974 1.0065 0.7426 0.071 Uiso 1 1 calc R . . . .
H76B H 0.3983 0.9459 0.7139 0.071 Uiso 1 1 calc R . . . .
C77 C 0.36224(2) 0.93032(3) 0.68470(2) 0.0551(11) Uani 1 1 d G . . . .
C78 C 0.31155(2) 0.92314(3) 0.61539(2) 0.0643(13) Uani 1 1 d G . . . .
H78 H 0.3051 0.9128 0.5871 0.077 Uiso 1 1 calc R . . . .
C79 C 0.33147(2) 0.92182(3) 0.62881(2) 0.0630(13) Uani 1 1 d G . . . .
H79 H 0.3385 0.9101 0.6099 0.076 Uiso 1 1 calc R . . . .
C80 C 0.34097(2) 0.93761(3) 0.66976(2) 0.0554(11) Uani 1 1 d G . . . .
C81 C 0.33032(2) 0.95286(3) 0.69694(2) 0.0584(12) Uani 1 1 d G . . . .
H81 H 0.3364 0.9634 0.7254 0.070 Uiso 1 1 calc R . . . .
C82 C 0.31046(2) 0.95229(3) 0.68121(2) 0.0605(12) Uani 1 1 d G . . . .
H82 H 0.3030 0.9621 0.6997 0.073 Uiso 1 1 calc R . . . .
C83 C 0.29634(2) 0.64138(4) 0.68003(2) 0.0721(15) Uani 1 1 d G . . . .
H83 H 0.2921 0.6328 0.6508 0.086 Uiso 1 1 calc R . . . .
C84 C 0.31457(2) 0.62514(3) 0.70184(2) 0.0709(15) Uani 1 1 d G . . . .
H84 H 0.3230 0.6073 0.6876 0.085 Uiso 1 1 calc R . . . .
C85 C 0.32082(2) 0.63463(3) 0.74473(2) 0.0692(15) Uani 1 1 d G . . . .
C86 C 0.30819(2) 0.66050(4) 0.76447(2) 0.0703(16) Uani 1 1 d G . . . .
H86 H 0.3119 0.6668 0.7940 0.084 Uiso 1 1 calc R . . . .
C87 C 0.28997(2) 0.67710(4) 0.74001(2) 0.0724(16) Uani 1 1 d G . . . .
H87 H 0.2813 0.6949 0.7536 0.087 Uiso 1 1 calc R . . . .
C88 C 0.34055(2) 0.62084(3) 0.77029(2) 0.0661(14) Uani 1 1 d G . . . .
C89 C 0.36997(2) 0.55844(3) 0.77831(2) 0.0737(16) Uani 1 1 d G . . . .
H89A H 0.3715 0.5115 0.7774 0.088 Uiso 1 1 calc R . . . .
H89B H 0.3729 0.5714 0.8081 0.088 Uiso 1 1 calc R . . . .
C90 C 0.38417(2) 0.59174(3) 0.75782(2) 0.0654(14) Uani 1 1 d G . . . .
C91 C 0.39756(2) 0.55773(3) 0.74508(2) 0.0689(15) Uani 1 1 d G . . . .
H91 H 0.3980 0.5125 0.7478 0.083 Uiso 1 1 calc R . . . .
C92 C 0.41041(2) 0.58876(3) 0.72836(2) 0.0685(15) Uani 1 1 d G . . . .
H92 H 0.4196 0.5645 0.7196 0.082 Uiso 1 1 calc R . . . .
C93 C 0.41019(2) 0.65349(3) 0.72419(2) 0.0633(13) Uani 1 1 d G . . . .
C94 C 0.39643(2) 0.68895(3) 0.73706(2) 0.0607(12) Uani 1 1 d G . . . .
H94 H 0.3958 0.7340 0.7337 0.073 Uiso 1 1 calc R . . . .
C95 C 0.38364(2) 0.65722(3) 0.75491(2) 0.0630(13) Uani 1 1 d G . . . .
H95 H 0.3747 0.6809 0.7649 0.076 Uiso 1 1 calc R . . . .
C96 C 0.42429(2) 0.68794(3) 0.70548(2) 0.0720(16) Uani 1 1 d G . . . .
H96A H 0.4340 0.6572 0.7019 0.086 Uiso 1 1 calc R . . . .
H96B H 0.4174 0.7049 0.6775 0.086 Uiso 1 1 calc R . . . .
C97 C 0.42829(2) 0.80115(3) 0.72588(2) 0.0600(12) Uani 1 1 d G . . . .
C98 C 0.44917(2) 0.95646(4) 0.77523(2) 0.0604(12) Uani 1 1 d G . . . .
H98 H 0.4498 0.9995 0.7667 0.072 Uiso 1 1 calc R . . . .
C99 C 0.44018(2) 0.91108(4) 0.74565(2) 0.0613(12) Uani 1 1 d G . . . .
H99 H 0.4350 0.9230 0.7171 0.074 Uiso 1 1 calc R . . . .
C100 C 0.43879(2) 0.84873(3) 0.75791(2) 0.0571(11) Uani 1 1 d G . . . .
C101 C 0.44700(2) 0.83317(4) 0.79935(2) 0.0631(13) Uani 1 1 d G . . . .
H101 H 0.4467 0.7902 0.8084 0.076 Uiso 1 1 calc R . . . .
C102 C 0.45564(2) 0.87986(4) 0.82780(2) 0.0646(13) Uani 1 1 d G . . . .
H102 H 0.4607 0.8687 0.8565 0.078 Uiso 1 1 calc R . . . .
C113 C 0.40493(2) 1.09519(5) 0.98225(3) 0.128(4) Uani 1 1 d DG U . . .
C114 C 0.42396(2) 1.12134(5) 0.98702(3) 0.097(3) Uani 1 1 d G . . . .
C115 C 0.42027(2) 1.16947(5) 0.95592(3) 0.096(3) Uani 1 1 d DG . . . .
C116 C 0.40112(2) 1.17324(5) 0.93307(3) 0.134(5) Uani 1 1 d DG U . . .
C117 C 0.39163(2) 1.12843(5) 0.95116(3) 0.141(5) Uani 1 1 d DG U . . .
C118 C 0.39761(2) 1.05113(5) 1.00825(3) 0.229(14) Uani 1 1 d DG . . . .
H11J H 0.4084 1.0308 1.0289 0.344 Uiso 1 1 calc R . . . .
H11K H 0.3898 1.0748 1.0229 0.344 Uiso 1 1 calc R . . . .
H11L H 0.3898 1.0183 0.9904 0.344 Uiso 1 1 calc R . . . .
C119 C 0.44308(2) 1.10260(5) 1.01893(3) 0.172(7) Uani 1 1 d G . . . .
H11M H 0.4445 1.0560 1.0194 0.258 Uiso 1 1 calc GR . . . .
H11N H 0.4432 1.1176 1.0469 0.258 Uiso 1 1 calc GR . . . .
H11O H 0.4537 1.1223 1.0108 0.258 Uiso 1 1 calc GR . . . .
C120 C 0.43662(2) 1.21093(5) 0.95040(3) 0.151(6) Uani 1 1 d G . . . .
H12A H 0.4488 1.1943 0.9681 0.226 Uiso 1 1 calc GR . . . .
H12B H 0.4349 1.2550 0.9586 0.226 Uiso 1 1 calc GR . . . .
H12C H 0.4367 1.2101 0.9210 0.226 Uiso 1 1 calc GR . . . .
C121 C 0.39563(2) 1.22725(4) 0.89672(3) 0.211(10) Uani 1 1 d G U . . .
H12D H 0.4035 1.2214 0.8775 0.316 Uiso 1 1 calc GR . . . .
H12E H 0.3980 1.2698 0.9095 0.316 Uiso 1 1 calc GR . . . .
H12F H 0.3821 1.2232 0.8812 0.316 Uiso 1 1 calc GR . . . .
C122 C 0.37067(2) 1.12595(5) 0.93045(3) 0.217(11) Uani 1 1 d DG U . . .
H12G H 0.3671 1.1598 0.9093 0.325 Uiso 1 1 calc R . . . .
H12H H 0.3673 1.0843 0.9169 0.325 Uiso 1 1 calc R . . . .
H12I H 0.3638 1.1321 0.9515 0.325 Uiso 1 1 calc R . . . .
C123 C 0.39282(2) 0.39752(4) 0.57518(3) 0.117(4) Uani 1 1 d G U . . .
C124 C 0.41305(2) 0.38688(5) 0.58611(3) 0.152(6) Uani 1 1 d DG . . . .
C125 C 0.41677(2) 0.33576(5) 0.61486(3) 0.141(5) Uani 1 1 d DG . . . .
C126 C 0.39959(2) 0.31266(4) 0.61992(3) 0.121(4) Uani 1 1 d DG U . . .
C127 C 0.38496(2) 0.35230(4) 0.59731(3) 0.117(3) Uani 1 1 d DG U . . .
C128 C 0.38438(2) 0.44472(4) 0.54285(3) 0.172(8) Uani 1 1 d G U . . .
H12J H 0.3722 0.4595 0.5464 0.259 Uiso 1 1 calc GR . . . .
H12K H 0.3822 0.4252 0.5151 0.259 Uiso 1 1 calc GR . . . .
H12L H 0.3931 0.4811 0.5454 0.259 Uiso 1 1 calc GR . . . .
C129 C 0.42830(2) 0.42158(5) 0.57038(3) 0.231(12) Uani 1 1 d G U . . .
H12M H 0.4305 0.4642 0.5830 0.347 Uiso 1 1 calc GR . . . .
H12N H 0.4238 0.4256 0.5398 0.347 Uiso 1 1 calc GR . . . .
H12O H 0.4402 0.3971 0.5783 0.347 Uiso 1 1 calc GR . . . .
C130 C 0.43571(2) 0.29984(5) 0.64138(3) 0.227(12) Uani 1 1 d G U . . .
H13G H 0.4458 0.3313 0.6528 0.340 Uiso 1 1 calc GR . . . .
H13H H 0.4400 0.2701 0.6231 0.340 Uiso 1 1 calc GR . . . .
H13I H 0.4330 0.2761 0.6644 0.340 Uiso 1 1 calc GR . . . .
C131 C 0.39677(2) 0.25705(5) 0.64690(3) 0.190(9) Uani 1 1 d DG U . . .
H13J H 0.4050 0.2627 0.6755 0.286 Uiso 1 1 calc GR . . . .
H13K H 0.4001 0.2170 0.6353 0.286 Uiso 1 1 calc GR . . . .
H13L H 0.3834 0.2556 0.6473 0.286 Uiso 1 1 calc GR . . . .
C132 C 0.36408(2) 0.35030(4) 0.59311(3) 0.197(9) Uani 1 1 d DG U . . .
H13M H 0.3621 0.3425 0.6206 0.295 Uiso 1 1 calc GR . . . .
H13N H 0.3581 0.3159 0.5738 0.295 Uiso 1 1 calc GR . . . .
H13O H 0.3583 0.3912 0.5821 0.295 Uiso 1 1 calc GR . . . .
C143 C 0.24286(2) 0.97161(5) 0.58525(3) 0.101(3) Uani 1 1 d G . . . .
C144 C 0.24796(2) 1.00624(5) 0.62304(3) 0.123(4) Uani 1 1 d DG . . . .
C145 C 0.26487(2) 1.04006(4) 0.62149(3) 0.112(4) Uani 1 1 d G . . . .
C146 C 0.26927(2) 1.02800(4) 0.58289(3) 0.105(3) Uani 1 1 d G . . . .
C147 C 0.25497(2) 0.98367(5) 0.56069(3) 0.093(2) Uani 1 1 d G . . . .
C148 C 0.22484(2) 0.92648(5) 0.57268(3) 0.121(4) Uani 1 1 d G . . . .
H14J H 0.2148 0.9438 0.5840 0.181 Uiso 1 1 calc GR . . . .
H14K H 0.2284 0.8837 0.5842 0.181 Uiso 1 1 calc GR . . . .
H14L H 0.2201 0.9239 0.5421 0.181 Uiso 1 1 calc GR . . . .
C149 C 0.23778(2) 1.01005(5) 0.65462(3) 0.155(6) Uani 1 1 d DG . . . .
H14M H 0.2284 1.0448 0.6476 0.233 Uiso 1 1 calc GR . . . .
H14N H 0.2469 1.0184 0.6820 0.233 Uiso 1 1 calc GR . . . .
H14O H 0.2312 0.9695 0.6556 0.233 Uiso 1 1 calc GR . . . .
C150 C 0.27638(2) 1.08645(4) 0.65494(3) 0.147(6) Uani 1 1 d G . . . .
H15A H 0.2758 1.0725 0.6827 0.221 Uiso 1 1 calc GR . . . .
H15B H 0.2710 1.1295 0.6493 0.221 Uiso 1 1 calc GR . . . .
H15C H 0.2897 1.0870 0.6542 0.221 Uiso 1 1 calc GR . . . .
C151 C 0.28480(2) 1.05645(4) 0.56999(3) 0.146(5) Uani 1 1 d G . . . .
H15D H 0.2960 1.0609 0.5944 0.219 Uiso 1 1 calc GR . . . .
H15E H 0.2809 1.0987 0.5578 0.219 Uiso 1 1 calc GR . . . .
H15F H 0.2880 1.0290 0.5491 0.219 Uiso 1 1 calc GR . . . .
C152 C 0.25348(2) 0.95457(5) 0.51731(3) 0.124(4) Uani 1 1 d G . . . .
H15G H 0.2660 0.9562 0.5120 0.186 Uiso 1 1 calc GR . . . .
H15H H 0.2442 0.9790 0.4957 0.186 Uiso 1 1 calc GR . . . .
H15I H 0.2493 0.9100 0.5167 0.186 Uiso 1 1 calc GR . . . .
C153 C 0.24097(2) 0.62573(5) 0.69492(3) 0.085(2) Uani 1 1 d G . . . .
C154 C 0.22910(2) 0.67950(5) 0.67948(3) 0.096(3) Uani 1 1 d DG . . . .
C155 C 0.22564(2) 0.68478(5) 0.63483(3) 0.105(3) Uani 1 1 d DG . . . .
C156 C 0.23525(2) 0.63246(5) 0.62374(3) 0.117(4) Uani 1 1 d G . . . .
C157 C 0.24441(2) 0.59635(5) 0.65737(3) 0.104(3) Uani 1 1 d G . . . .
C158 C 0.24821(2) 0.59810(5) 0.73769(3) 0.110(3) Uani 1 1 d G . . . .
H15J H 0.2599 0.5738 0.7397 0.165 Uiso 1 1 calc GR . . . .
H15K H 0.2385 0.5696 0.7431 0.165 Uiso 1 1 calc GR . . . .
H15L H 0.2510 0.6326 0.7584 0.165 Uiso 1 1 calc GR . . . .
C159 C 0.22120(2) 0.72038(6) 0.70619(3) 0.141(5) Uani 1 1 d DG . . . .
H15M H 0.2280 0.7123 0.7357 0.212 Uiso 1 1 calc GR . . . .
H15N H 0.2076 0.7109 0.7012 0.212 Uiso 1 1 calc GR . . . .
H15O H 0.2228 0.7653 0.6996 0.212 Uiso 1 1 calc GR . . . .
C160 C 0.21325(2) 0.73346(6) 0.60518(3) 0.162(7) Uani 1 1 d G . . . .
H16A H 0.2078 0.7634 0.6213 0.243 Uiso 1 1 calc GR . . . .
H16B H 0.2029 0.7113 0.5846 0.243 Uiso 1 1 calc GR . . . .
H16C H 0.2211 0.7570 0.5906 0.243 Uiso 1 1 calc GR . . . .
C161 C 0.23600(2) 0.61297(5) 0.57635(3) 0.189(10) Uani 1 1 d G . . . .
H16D H 0.2310 0.6484 0.5571 0.284 Uiso 1 1 calc GR . . . .
H16E H 0.2282 0.5748 0.5670 0.284 Uiso 1 1 calc GR . . . .
H16F H 0.2493 0.6041 0.5768 0.284 Uiso 1 1 calc GR . . . .
C162 C 0.25676(2) 0.53742(5) 0.66107(3) 0.165(7) Uani 1 1 d G . . . .
H16G H 0.2600 0.5307 0.6347 0.248 Uiso 1 1 calc GR . . . .
H16H H 0.2498 0.5002 0.6669 0.248 Uiso 1 1 calc GR . . . .
H16I H 0.2685 0.5431 0.6840 0.248 Uiso 1 1 calc GR . . . .
C163 C 0.31722(2) 0.93724(5) 0.34663(3) 0.116(4) Uani 1 1 d G . . . .
C166 C 0.31825(2) 1.01421(4) 0.46693(3) 0.202(10) Uani 1 1 d G . . . .
C167 C 0.39670(2) 0.67938(4) 0.52425(2) 0.238(12) Uani 1 1 d DG U . . .
O37 O 0.38633(2) 0.96452(3) 0.60209(2) 0.156(4) Uani 1 1 d DG . . . .
S11 S 0.37285(2) 1.02165(3) 0.60390(2) 0.097(2) Uani 0.526(12) 1 d DG U P F 1
C173 C 0.38642(2) 1.07304(3) 0.64623(2) 0.149(5) Uani 0.526(12) 1 d DG U P F 1
H17A H 0.3786 1.1101 0.6489 0.224 Uiso 0.526(12) 1 calc R . P F 1
H17B H 0.3899 1.0490 0.6726 0.224 Uiso 0.526(12) 1 calc R . P F 1
H17C H 0.3981 1.0876 0.6399 0.224 Uiso 0.526(12) 1 calc R . P F 1
C174 C 0.37051(2) 1.06690(4) 0.55937(2) 0.232(12) Uani 0.526(12) 1 d DG U P F 1
H17D H 0.3783 1.1057 0.5666 0.349 Uiso 0.526(12) 1 calc GR . P F 1
H17E H 0.3571 1.0787 0.5474 0.349 Uiso 0.526(12) 1 calc GR . P F 1
H17F H 0.3749 1.0420 0.5388 0.349 Uiso 0.526(12) 1 calc GR . P F 1
S21 S 0.38615(2) 1.03102(3) 0.59486(2) 0.191(6) Uani 0.474(12) 1 d DG U P F 2
C273 C 0.38752(2) 1.07341(3) 0.64248(2) 0.149(5) Uani 0.474(12) 1 d DG . P F 2
H27A H 0.3854 1.0436 0.6635 0.224 Uiso 0.474(12) 1 calc GR . P F 2
H27B H 0.3777 1.1067 0.6370 0.224 Uiso 0.474(12) 1 calc GR . P F 2
H27C H 0.4002 1.0931 0.6530 0.224 Uiso 0.474(12) 1 calc GR . P F 2
C274 C 0.36774(2) 1.06981(4) 0.55545(2) 0.232(12) Uani 0.474(12) 1 d DG . P F 2
H27D H 0.3704 1.1157 0.5558 0.349 Uiso 0.474(12) 1 calc R . P F 2
H27E H 0.3673 1.0522 0.5279 0.349 Uiso 0.474(12) 1 calc R . P F 2
H27F H 0.3554 1.0628 0.5610 0.349 Uiso 0.474(12) 1 calc R . P F 2
C175 C 0.34575(2) 0.80632(3) 0.52307(2) 0.283(16) Uani 1 1 d DG U . . .
H17G H 0.3338 0.8283 0.5087 0.424 Uiso 1 1 calc R . . . .
H17H H 0.3532 0.7988 0.5032 0.424 Uiso 1 1 calc R . . . .
H17I H 0.3428 0.7653 0.5340 0.424 Uiso 1 1 calc R . . . .
C176 C 0.33321(2) 0.65485(5) 0.97018(3) 0.215(10) Uani 1 1 d DG U . . .
C177 C 0.32727(2) 0.82131(5) 0.91026(3) 0.182(8) Uani 1 1 d DG U . . .
O38 O 0.35676(2) 0.84565(3) 0.55760(2) 0.147(4) Uani 1 1 d DG . . . .
H38A H 0.3508 0.8796 0.5586 0.221 Uiso 1 1 d DG . . . .
O39 O 0.42556(2) 0.89188(4) 0.62504(2) 0.188(6) Uani 1 1 d G . . . .
H39A H 0.4341 0.8612 0.6269 0.282 Uiso 1 1 d G . . . .
H39B H 0.4293 0.9164 0.6476 0.282 Uiso 1 1 d G . . . .
O40 O 0.35150(2) 0.65803(5) 0.96119(3) 0.163(4) Uani 1 1 d DG U . . .
O41 O 0.32721(2) 0.75919(4) 0.88863(2) 0.190(5) Uani 1 1 d DG U . . .
C178 C 0.32253(2) 0.54590(4) 0.85650(3) 0.154(11) Uani 0.58(2) 1 d DG U P E 1
O42 O 0.32468(2) 0.61452(4) 0.86637(2) 0.139(7) Uani 0.58(2) 1 d DG U P E 1
C278 C 0.33222(2) 0.51382(4) 0.85034(3) 0.129(12) Uani 0.42(2) 1 d DG U P E 2
O42' O 0.33827(2) 0.57176(4) 0.87574(2) 0.159(11) Uani 0.42(2) 1 d DG U P E 2
C179 C 0.32805(2) 0.42770(4) 0.70143(3) 0.187(8) Uani 1 1 d DG U . . .
H17J H 0.3321 0.3908 0.6878 0.281 Uiso 1 1 calc GR . . . .
H17K H 0.3143 0.4345 0.6895 0.281 Uiso 1 1 calc GR . . . .
H17L H 0.3309 0.4197 0.7316 0.281 Uiso 1 1 calc GR . . . .
O43 O 0.38978(2) 0.60494(4) 0.93801(2) 0.283(11) Uani 1 1 d G U . . .
O44 O 0.33773(2) 0.48091(3) 0.69486(2) 0.116(2) Uani 1 1 d DG U . . .
H44A H 0.3322 0.4965 0.6712 0.173 Uiso 1 1 calc DGR . . . .


_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
Ba1 O2 2.695(5) . ?
Ba1 O4 2.686(4) . ?
Ba1 O6 2.710(4) . ?
Ba1 O19 2.8373 . ?
Ba1 O20 2.8692 . ?
Ba1 S5 3.4742 . ?
Ba1 O37 2.6571 . ?
Ba1 O38 2.7471 . ?
Ba1 O39 2.7011 . ?
Ba2 O1 2.739(4) . ?
Ba2 O3 2.756(6) . ?
Ba2 O5 2.694(5) . ?
Ba2 O22 2.8011 . ?
Ba2 O22' 2.9194 . ?
Ba2 O40 2.8227 . ?
Ba2 O41 2.8945 . ?
Ba2 O42 2.8657 . ?
Ba2 O42' 2.7972 . ?
Ba2 O43 2.8945 . ?
Rh1 N1 2.180(5) . ?
Rh1 N2 2.165(6) . ?
Rh1 N24 2.123(5) . ?
Rh1 C103 2.138(13) . ?
Rh1 C104 2.185(13) . ?
Rh1 C105 2.188(10) . ?
Rh1 C106 2.156(13) . ?
Rh1 C107 2.115(13) . ?
Rh1 C203 2.2659(10) . ?
Rh1 C204 2.1379(11) . ?
Rh1 C205 2.0647(11) . ?
Rh1 C206 2.1527(11) . ?
Rh2 N3 2.176(6) . ?
Rh2 N4 2.200(5) . ?
Rh2 N13 2.128(5) . ?
Rh2 C113 2.1036(11) . ?
Rh2 C114 2.1642(10) . ?
Rh2 C115 2.1386(10) . ?
Rh2 C116 2.1468(11) . ?
Rh2 C117 2.1504(12) . ?
Rh3 N5 2.182(7) . ?
Rh3 N6 2.182(8) . ?
Rh3 N16 2.130(5) . ?
Rh3 C123 2.1422(11) . ?
Rh3 C124 2.1802(11) . ?
Rh3 C125 2.1481(10) . ?
Rh3 C126 2.1851(11) . ?
Rh3 C127 2.1170(11) . ?
Rh4 N7 2.182(7) . ?
Rh4 N8 2.202(7) . ?
Rh4 N17 2.123(6) . ?
Rh4 C133 2.2552(11) . ?
Rh4 C134 2.2084(12) . ?
Rh4 C135 2.0884(12) . ?
Rh4 C136 2.0621(11) . ?
Rh4 C137 2.1664(11) . ?
Rh4 C233 2.0961(11) . ?
Rh4 C234 2.2510(12) . ?
Rh4 C236 2.1952(11) . ?
Rh4 C237 2.0577(11) . ?
Rh5 N9 2.190(5) . ?
Rh5 N10 2.192(7) . ?
Rh5 N20 2.140(5) . ?
Rh5 C143 2.1324 . ?
Rh5 C144 2.1872 . ?
Rh5 C145 2.1236(10) . ?
Rh5 C146 2.1694(11) . ?
Rh5 C147 2.1564 . ?
Rh6 N11 2.181(7) . ?
Rh6 N12 2.163(6) . ?
Rh6 N21 2.123(6) . ?
Rh6 C153 2.1416(10) . ?
Rh6 C154 2.1098(10) . ?
Rh6 C155 2.1267 . ?
Rh6 C156 2.1286(10) . ?
Rh6 C157 2.1577(11) . ?
N1 C1 1.342(5) . ?
N1 C14 1.395(5) . ?
N2 C2 1.325(6) . ?
N2 C3 1.379(6) . ?
N3 C2 1.326(6) . ?
N3 C8 1.391(6) . ?
N4 C1 1.331(6) . ?
N4 C9 1.393(5) . ?
N5 C15 1.331(7) . ?
N5 C28 1.352(8) . ?
N6 C16 1.297(8) . ?
N6 C17 1.401(9) . ?
N7 C16 1.342(7) . ?
N7 C22 1.385(8) . ?
N8 C15 1.283(6) . ?
N8 C23 1.386(7) . ?
N9 C30 1.329(6) . ?
N9 C36 1.372(6) . ?
N10 C29 1.331(7) . ?
N10 C37 1.397(6) . ?
N11 C29 1.319(7) . ?
N11 C42 1.394(6) . ?
N12 C30 1.349(6) . ?
N12 C31 1.402(6) . ?
N13 C43 1.342(5) . ?
N13 C47 1.346(5) . ?
N14 H14 0.8800 . ?
N14 C48 1.306(5) . ?
N14 C49 1.474(5) . ?
N15 H15 0.8800 . ?
N15 C56 1.472(5) . ?
N15 C57 1.338(6) . ?
N16 C58 1.342(6) . ?
N16 C62 1.319(7) . ?
N17 C63 1.379(6) . ?
N17 C67 1.332(7) . ?
N18 H18 0.8800 . ?
N18 C68 1.324(5) . ?
N18 C69 1.463(5) . ?
N19 H19 0.8800 . ?
N19 C76 1.472(5) . ?
N19 C77 1.312(5) . ?
N20 C78 1.328(5) . ?
N20 C82 1.332(5) . ?
N21 C83 1.355(7) . ?
N21 C87 1.334(6) . ?
N22 H22 0.8800 . ?
N22 C88 1.339(6) . ?
N22 C89 1.463(6) . ?
N23 H23 0.8800 . ?
N23 C96 1.473(5) . ?
N23 C97 1.324(6) . ?
N24 C98 1.356(5) . ?
N24 C102 1.338(5) . ?
O1 C48 1.242(4) . ?
O2 C57 1.229(5) . ?
O3 C68 1.239(6) . ?
O4 C77 1.247(4) . ?
O5 C88 1.248(5) . ?
O6 C97 1.230(5) . ?
C103 C104 1.376(16) . ?
C103 C107 1.391(17) . ?
C103 C108 1.56(3) . ?
C104 C105 1.41(2) . ?
C104 C109 1.41(2) . ?
C105 C106 1.425(14) . ?
C105 C110 1.51(2) . ?
C106 C107 1.53(2) . ?
C106 C111 1.47(2) . ?
C107 C112 1.49(3) . ?
C108 H10A 0.9800 . ?
C108 H10B 0.9800 . ?
C108 H10C 0.9800 . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C203 C204 1.4247 . ?
C203 C207 1.4245 . ?
C203 C208 1.5143 . ?
C204 C205 1.4241 . ?
C204 C209 1.5145 . ?
C205 C206 1.4250 . ?
C205 C210 1.5142 . ?
C206 C207 1.4243 . ?
C206 C211 1.5141 . ?
C207 C212 1.5144 . ?
C208 H20A 0.9800 . ?
C208 H20B 0.9800 . ?
C208 H20C 0.9800 . ?
C209 H20D 0.9800 . ?
C209 H20E 0.9800 . ?
C209 H20F 0.9800 . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9800 . ?
C211 H21E 0.9800 . ?
C211 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C212 H21I 0.9800 . ?
C133 C134 1.4190 . ?
C133 C137 1.4215 . ?
C133 C138 1.5099 . ?
C134 C135 1.4207 . ?
C134 C139 1.5109 . ?
C135 C136 1.4197 . ?
C135 C140 1.5097 . ?
C136 C137 1.4202 . ?
C136 C141 1.5098 . ?
C137 C142 1.5093 . ?
C138 H13A 0.9800 . ?
C138 H13B 0.9800 . ?
C138 H13C 0.9800 . ?
C139 H13D 0.9800 . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 H14G 0.9800 . ?
C142 H14H 0.9800 . ?
C142 H14I 0.9800 . ?
C233 C234 1.4150 . ?
C233 C237 1.4162 . ?
C233 C238 1.5059 . ?
C234 C235 1.4161 . ?
C234 C239 1.5061 . ?
C235 C236 1.4175 . ?
C235 C240 1.5053 . ?
C236 C237 1.4163 . ?
C236 C241 1.5053 . ?
C237 C242 1.5074 . ?
C238 H23A 0.9800 . ?
C238 H23B 0.9800 . ?
C238 H23C 0.9800 . ?
C239 H23D 0.9800 . ?
C239 H23E 0.9800 . ?
C239 H23F 0.9800 . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C241 H24D 0.9800 . ?
C241 H24E 0.9800 . ?
C241 H24F 0.9800 . ?
C242 H24G 0.9800 . ?
C242 H24H 0.9800 . ?
C242 H24I 0.9800 . ?
S2 O10 1.4185 . ?
S2 O11 1.3769 . ?
S2 O12 1.4425 . ?
S2 C164 1.7325 . ?
C164 F4 1.3400 . ?
C164 F5 1.3007 . ?
C164 F6 1.3733 . ?
S2' O10' 1.4146 . ?
S2' O11' 1.4299 . ?
S2' O12' 1.4399 . ?
S2' C264 1.9212 . ?
C264 F4' 1.3279 . ?
C264 F5' 1.3076 . ?
C264 F6' 1.3306 . ?
S3 O13 1.4890 . ?
S3 O14 1.2877 . ?
S3 O15 1.4798 . ?
S3 C165 1.9672 . ?
C165 F7 1.3504 . ?
C165 F8 1.3466 . ?
C165 F9 1.2536 . ?
S3' O13' 1.4795 . ?
S3' O14' 1.2987 . ?
S3' O15' 1.1787 . ?
S3' C265 1.7717 . ?
C265 F7' 1.3359 . ?
C265 F8' 1.3212 . ?
C265 F9' 1.3805 . ?
S6 O22 1.3948 . ?
S6 O23 1.4883 . ?
S6 O24 1.4222 . ?
S6 C168 1.7761 . ?
C168 F16 1.3488 . ?
C168 F17 1.2988 . ?
C168 F18 1.3663 . ?
S6' O22' 1.4822 . ?
S6' O23' 1.3960 . ?
S6' O24' 1.3095 . ?
S6' C268 1.7767 . ?
C268 F16' 1.2996 . ?
C268 F17' 1.2983 . ?
C268 F18' 1.2978 . ?
O7 S1 1.4467 . ?
O8 S1 1.4195 . ?
O9 S1 1.3996 . ?
O16 S4 1.3978 . ?
O17 S4 1.4768 . ?
O18 S4 1.4443 . ?
O19 S5 1.4810 . ?
O20 S5 1.4548 . ?
O21 S5 1.4800 . ?
S1 C163 1.7933 . ?
S4 C166 1.7646 . ?
S5 C167 1.8935 . ?
F1 C163 1.2651 . ?
F2 C163 1.3961 . ?
F3 C163 1.3421 . ?
F10 C166 1.2959 . ?
F11 C166 1.3879 . ?
F12 C166 1.1935 . ?
F13 C167 1.3743 . ?
F14 C167 1.3659 . ?
F15 C167 1.3739 . ?
C1 C2 1.4073 . ?
C3 C4 1.3870 . ?
C3 C8 1.4452 . ?
C4 H4 0.9500 . ?
C4 C5 1.4281 . ?
C5 H5 0.9500 . ?
C5 C6 1.2740 . ?
C6 H6 0.9500 . ?
C6 C7 1.4299 . ?
C7 H7 0.9500 . ?
C7 C8 1.3774 . ?
C9 C10 1.3873 . ?
C9 C14 1.4269 . ?
C10 H10 0.9500 . ?
C10 C11 1.3968 . ?
C11 H11 0.9500 . ?
C11 C12 1.4271 . ?
C12 H12 0.9500 . ?
C12 C13 1.3647 . ?
C13 H13 0.9500 . ?
C13 C14 1.4271 . ?
C15 C16 1.4535 . ?
C17 C18 1.3717 . ?
C17 C22 1.4338 . ?
C18 H18A 0.9500 . ?
C18 C19 1.3786 . ?
C19 H19A 0.9500 . ?
C19 C20 1.4591 . ?
C20 H20 0.9500 . ?
C20 C21 1.3130 . ?
C21 H21 0.9500 . ?
C21 C22 1.4000 . ?
C23 C24 1.4020 . ?
C23 C28 1.4042 . ?
C24 H24 0.9500 . ?
C24 C25 1.4197 . ?
C25 H25 0.9500 . ?
C25 C26 1.3228 . ?
C26 H26 0.9500 . ?
C26 C27 1.4322 . ?
C27 H27 0.9500 . ?
C27 C28 1.3978 . ?
C29 C30 1.4120 . ?
C31 C32 1.4002 . ?
C31 C36 1.4519 . ?
C32 H32 0.9500 . ?
C32 C33 1.3591 . ?
C33 H33 0.9500 . ?
C33 C34 1.4002 . ?
C34 H34 0.9500 . ?
C34 C35 1.3971 . ?
C35 H35 0.9500 . ?
C35 C36 1.3916 . ?
C37 C38 1.3791 . ?
C37 C42 1.4172 . ?
C38 H38 0.9500 . ?
C38 C39 1.4202 . ?
C39 H39 0.9500 . ?
C39 C40 1.2999 . ?
C40 H40 0.9500 . ?
C40 C41 1.4926 . ?
C41 H41 0.9500 . ?
C41 C42 1.3925 . ?
C43 H43 0.9500 . ?
C43 C44 1.3974 . ?
C44 H44 0.9500 . ?
C44 C45 1.4051 . ?
C45 C46 1.3650 . ?
C45 C48 1.5197 . ?
C46 H46 0.9500 . ?
C46 C47 1.3786 . ?
C47 H47 0.9500 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.5129 . ?
C50 C51 1.3902 . ?
C50 C55 1.3834 . ?
C51 H51 0.9500 . ?
C51 C52 1.3720 . ?
C52 H52 0.9500 . ?
C52 C53 1.3937 . ?
C53 C54 1.3976 . ?
C53 C56 1.5229 . ?
C54 H54 0.9500 . ?
C54 C55 1.3700 . ?
C55 H55 0.9500 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C60 1.5017 . ?
C58 H58 0.9500 . ?
C58 C59 1.3902 . ?
C59 H59 0.9500 . ?
C59 C60 1.3858 . ?
C60 C61 1.4082 . ?
C61 H61 0.9500 . ?
C61 C62 1.3832 . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C63 C64 1.3448 . ?
C64 H64 0.9500 . ?
C64 C65 1.4127 . ?
C65 C66 1.3775 . ?
C65 C68 1.4932 . ?
C66 H66 0.9500 . ?
C66 C67 1.3876 . ?
C67 H67 0.9500 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.4799 . ?
C70 C71 1.4008 . ?
C70 C75 1.3950 . ?
C71 H71 0.9500 . ?
C71 C72 1.3820 . ?
C72 H72 0.9500 . ?
C72 C73 1.4063 . ?
C73 C74 1.3880 . ?
C73 C76 1.5118 . ?
C74 H74 0.9500 . ?
C74 C75 1.3864 . ?
C75 H75 0.9500 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C80 1.4965 . ?
C78 H78 0.9500 . ?
C78 C79 1.3939 . ?
C79 H79 0.9500 . ?
C79 C80 1.3818 . ?
C80 C81 1.3849 . ?
C81 H81 0.9500 . ?
C81 C82 1.3937 . ?
C82 H82 0.9500 . ?
C83 H83 0.9500 . ?
C83 C84 1.3650 . ?
C84 H84 0.9500 . ?
C84 C85 1.3831 . ?
C85 C86 1.3833 . ?
C85 C88 1.4777 . ?
C86 H86 0.9500 . ?
C86 C87 1.3914 . ?
C87 H87 0.9500 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C90 1.5558 . ?
C90 C91 1.3685 . ?
C90 C95 1.3736 . ?
C91 H91 0.9500 . ?
C91 C92 1.3795 . ?
C92 H92 0.9500 . ?
C92 C93 1.3614 . ?
C93 C94 1.4082 . ?
C93 C96 1.5248 . ?
C94 H94 0.9500 . ?
C94 C95 1.4056 . ?
C95 H95 0.9500 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 C100 1.5002 . ?
C98 H98 0.9500 . ?
C98 C99 1.3908 . ?
C99 H99 0.9500 . ?
C99 C100 1.3793 . ?
C100 C101 1.3770 . ?
C101 H101 0.9500 . ?
C101 C102 1.3818 . ?
C102 H102 0.9500 . ?
C113 C114 1.4579 . ?
C113 C117 1.3878 . ?
C113 C118 1.4639 . ?
C114 C115 1.4138 . ?
C114 C119 1.5449 . ?
C115 C116 1.3904 . ?
C115 C120 1.5269 . ?
C116 C117 1.3983 . ?
C116 C121 1.6201 . ?
C117 C122 1.4891 . ?
C118 H11J 0.9800 . ?
C118 H11K 0.9800 . ?
C118 H11L 0.9800 . ?
C119 H11M 0.9800 . ?
C119 H11N 0.9800 . ?
C119 H11O 0.9800 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C122 H12I 0.9800 . ?
C123 C124 1.4333 . ?
C123 C127 1.4155 . ?
C123 C128 1.4615 . ?
C124 C125 1.4090 . ?
C124 C129 1.5382 . ?
C125 C126 1.3965 . ?
C125 C130 1.6004 . ?
C126 C127 1.3921 . ?
C126 C131 1.5184 . ?
C127 C132 1.4895 . ?
C128 H12J 0.9800 . ?
C128 H12K 0.9800 . ?
C128 H12L 0.9800 . ?
C129 H12M 0.9800 . ?
C129 H12N 0.9800 . ?
C129 H12O 0.9800 . ?
C130 H13G 0.9800 . ?
C130 H13H 0.9800 . ?
C130 H13I 0.9800 . ?
C131 H13J 0.9800 . ?
C131 H13K 0.9800 . ?
C131 H13L 0.9800 . ?
C132 H13M 0.9800 . ?
C132 H13N 0.9800 . ?
C132 H13O 0.9800 . ?
C143 C144 1.4064 . ?
C143 C147 1.3848 . ?
C143 C148 1.5756 . ?
C144 C145 1.4352 . ?
C144 C149 1.4492 . ?
C145 C146 1.4305 . ?
C145 C150 1.5349 . ?
C146 C147 1.4344 . ?
C146 C151 1.4474 . ?
C147 C152 1.5408 . ?
C148 H14J 0.9800 . ?
C148 H14K 0.9800 . ?
C148 H14L 0.9800 . ?
C149 H14M 0.9800 . ?
C149 H14N 0.9800 . ?
C149 H14O 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C151 H15E 0.9800 . ?
C151 H15F 0.9800 . ?
C152 H15G 0.9800 . ?
C152 H15H 0.9800 . ?
C152 H15I 0.9800 . ?
C153 C154 1.4240 . ?
C153 C157 1.4753 . ?
C153 C158 1.4868 . ?
C154 C155 1.4380 . ?
C154 C159 1.4634 . ?
C155 C156 1.4042 . ?
C155 C160 1.5239 . ?
C156 C157 1.3583 . ?
C156 C161 1.6433 . ?
C157 C162 1.5114 . ?
C158 H15J 0.9800 . ?
C158 H15K 0.9800 . ?
C158 H15L 0.9800 . ?
C159 H15M 0.9800 . ?
C159 H15N 0.9800 . ?
C159 H15O 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C162 H16G 0.9800 . ?
C162 H16H 0.9800 . ?
C162 H16I 0.9800 . ?
O37 S11 1.5597 . ?
O37 S21 1.4118 . ?
S11 C173 1.8246 . ?
S11 C174 1.7248 . ?
C173 H17A 0.9800 . ?
C173 H17B 0.9800 . ?
C173 H17C 0.9800 . ?
C174 H17D 0.9800 . ?
C174 H17E 0.9800 . ?
C174 H17F 0.9800 . ?
S21 C273 1.7928 . ?
S21 C274 1.7842 . ?
C273 H27A 0.9800 . ?
C273 H27B 0.9800 . ?
C273 H27C 0.9800 . ?
C274 H27D 0.9800 . ?
C274 H27E 0.9800 . ?
C274 H27F 0.9800 . ?
C175 H17G 0.9800 . ?
C175 H17H 0.9800 . ?
C175 H17I 0.9800 . ?
C175 O38 1.4556 . ?
C176 O40 1.4483 . ?
C177 O41 1.4851 . ?
O38 H38A 0.8401 . ?
O39 H39A 0.8855 . ?
O39 H39B 0.8866 . ?
C178 O42 1.4716 . ?
C278 O42' 1.4722 . ?
C179 H17J 0.9800 . ?
C179 H17K 0.9800 . ?
C179 H17L 0.9800 . ?
C179 O44 1.3686 . ?
O44 H44A 0.8400 . ?

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
O2 Ba1 O6 84.23(14) . . ?
O2 Ba1 O19 95.13(10) . . ?
O2 Ba1 O20 73.13(11) . . ?
O2 Ba1 S5 86.59(10) . . ?
O2 Ba1 O38 77.86(11) . . ?
O2 Ba1 O39 142.79(11) . . ?
O4 Ba1 O2 82.42(15) . . ?
O4 Ba1 O6 79.40(14) . . ?
O4 Ba1 O19 152.35(10) . . ?
O4 Ba1 O20 150.97(11) . . ?
O4 Ba1 S5 168.08(10) . . ?
O4 Ba1 O38 83.39(9) . . ?
O4 Ba1 O39 117.86(10) . . ?
O6 Ba1 O19 127.93(10) . . ?
O6 Ba1 O20 82.73(10) . . ?
O6 Ba1 S5 104.15(10) . . ?
O6 Ba1 O38 156.61(10) . . ?
O19 Ba1 O20 48.3 . . ?
O19 Ba1 S5 24.6 . . ?
O20 Ba1 S5 24.2 . . ?
O37 Ba1 O2 145.11(11) . . ?
O37 Ba1 O4 71.41(11) . . ?
O37 Ba1 O6 112.15(10) . . ?
O37 Ba1 O19 97.6 . . ?
O37 Ba1 O20 137.1 . . ?
O37 Ba1 S5 116.6 . . ?
O37 Ba1 O38 76.6 . . ?
O37 Ba1 O39 71.7 . . ?
O38 Ba1 O19 69.2 . . ?
O38 Ba1 O20 105.9 . . ?
O38 Ba1 S5 89.8 . . ?
O39 Ba1 O6 70.78(10) . . ?
O39 Ba1 O19 80.2 . . ?
O39 Ba1 O20 76.6 . . ?
O39 Ba1 S5 73.9 . . ?
O39 Ba1 O38 132.0 . . ?
O1 Ba2 O3 79.13(14) . . ?
O1 Ba2 O22 74.94(10) . . ?
O1 Ba2 O22' 73.83(10) . . ?
O1 Ba2 O40 125.61(10) . . ?
O1 Ba2 O41 67.08(10) . . ?
O1 Ba2 O42 116.99(10) . . ?
O1 Ba2 O42' 139.95(10) . . ?
O1 Ba2 O43 134.46(10) . . ?
O3 Ba2 O22 82.25(11) . . ?
O3 Ba2 O22' 98.68(11) . . ?
O3 Ba2 O40 131.81(11) . . ?
O3 Ba2 O41 146.05(10) . . ?
O3 Ba2 O42 138.83(11) . . ?
O3 Ba2 O42' 118.68(11) . . ?
O3 Ba2 O43 64.79(11) . . ?
O5 Ba2 O1 80.23(14) . . ?
O5 Ba2 O3 78.99(15) . . ?
O5 Ba2 O22 151.24(10) . . ?
O5 Ba2 O22' 153.88(11) . . ?
O5 Ba2 O40 139.20(11) . . ?
O5 Ba2 O41 97.74(11) . . ?
O5 Ba2 O42 68.07(10) . . ?
O5 Ba2 O42' 69.83(10) . . ?
O5 Ba2 O43 116.53(11) . . ?
O22 Ba2 O40 68.9 . . ?
O22 Ba2 O41 85.9 . . ?
O22 Ba2 O42 137.0 . . ?
O22 Ba2 O43 73.6 . . ?
O40 Ba2 O22' 59.9 . . ?
O40 Ba2 O41 71.0 . . ?
O40 Ba2 O42 71.7 . . ?
O40 Ba2 O43 70.3 . . ?
O41 Ba2 O22' 69.6 . . ?
O41 Ba2 O43 140.5 . . ?
O42 Ba2 O41 65.4 . . ?
O42 Ba2 O43 108.5 . . ?
O42' Ba2 O22' 130.8 . . ?
O42' Ba2 O40 71.2 . . ?
O42' Ba2 O41 90.8 . . ?
O42' Ba2 O43 83.9 . . ?
O43 Ba2 O22' 84.7 . . ?
N1 Rh1 C104 164.5(4) . . ?
N1 Rh1 C105 139.5(3) . . ?
N1 Rh1 C203 134.57(14) . . ?
N2 Rh1 N1 78.7(2) . . ?
N2 Rh1 C104 105.2(5) . . ?
N2 Rh1 C105 141.6(3) . . ?
N2 Rh1 C203 90.00(13) . . ?
N24 Rh1 N1 88.79(19) . . ?
N24 Rh1 N2 91.93(19) . . ?
N24 Rh1 C103 142.5(5) . . ?
N24 Rh1 C104 105.8(4) . . ?
N24 Rh1 C105 91.8(3) . . ?
N24 Rh1 C106 110.3(5) . . ?
N24 Rh1 C203 135.89(14) . . ?
N24 Rh1 C204 105.46(14) . . ?
N24 Rh1 C206 135.30(14) . . ?
C103 Rh1 N1 128.7(5) . . ?
C103 Rh1 N2 94.2(5) . . ?
C103 Rh1 C104 37.1(5) . . ?
C103 Rh1 C105 61.7(6) . . ?
C103 Rh1 C106 66.0(6) . . ?
C104 Rh1 C105 37.6(5) . . ?
C106 Rh1 N1 104.6(3) . . ?
C106 Rh1 N2 157.4(5) . . ?
C106 Rh1 C104 65.9(5) . . ?
C106 Rh1 C105 38.3(4) . . ?
C107 Rh1 N1 99.8(5) . . ?
C107 Rh1 N2 115.5(4) . . ?
C107 Rh1 N24 152.3(4) . . ?
C107 Rh1 C103 38.2(5) . . ?
C107 Rh1 C104 64.8(6) . . ?
C107 Rh1 C105 64.7(5) . . ?
C107 Rh1 C106 42.1(6) . . ?
C204 Rh1 N1 157.92(13) . . ?
C204 Rh1 N2 116.70(14) . . ?
C204 Rh1 C203 37.6 . . ?
C204 Rh1 C206 65.0 . . ?
C205 Rh1 N1 121.17(14) . . ?
C205 Rh1 N2 153.92(14) . . ?
C205 Rh1 N24 104.30(14) . . ?
C205 Rh1 C203 64.1 . . ?
C205 Rh1 C204 39.6 . . ?
C205 Rh1 C206 39.4 . . ?
C206 Rh1 N1 93.00(13) . . ?
C206 Rh1 N2 132.21(14) . . ?
C206 Rh1 C203 62.8 . . ?
N3 Rh2 N4 79.0(2) . . ?
N13 Rh2 N3 88.8(2) . . ?
N13 Rh2 N4 91.18(19) . . ?
N13 Rh2 C114 141.84(14) . . ?
N13 Rh2 C115 156.26(15) . . ?
N13 Rh2 C116 119.13(15) . . ?
N13 Rh2 C117 95.32(15) . . ?
C113 Rh2 N3 110.18(14) . . ?
C113 Rh2 N4 161.55(14) . . ?
C113 Rh2 N13 104.70(14) . . ?
C113 Rh2 C114 39.9 . . ?
C113 Rh2 C115 63.5 . . ?
C113 Rh2 C116 64.6 . . ?
C113 Rh2 C117 38.1 . . ?
C114 Rh2 N3 92.35(13) . . ?
C114 Rh2 N4 126.46(14) . . ?
C115 Rh2 N3 114.31(14) . . ?
C115 Rh2 N4 98.24(14) . . ?
C115 Rh2 C114 38.4 . . ?
C115 Rh2 C116 37.9 . . ?
C115 Rh2 C117 62.4 . . ?
C116 Rh2 N3 152.05(14) . . ?
C116 Rh2 N4 99.60(14) . . ?
C116 Rh2 C114 65.8 . . ?
C116 Rh2 C117 38.0 . . ?
C117 Rh2 N3 147.88(14) . . ?
C117 Rh2 N4 132.60(14) . . ?
C117 Rh2 C114 65.2 . . ?
N5 Rh3 N6 78.7(3) . . ?
N5 Rh3 C126 95.51(17) . . ?
N6 Rh3 C126 129.38(18) . . ?
N16 Rh3 N5 90.9(2) . . ?
N16 Rh3 N6 87.7(2) . . ?
N16 Rh3 C123 93.49(15) . . ?
N16 Rh3 C124 117.03(17) . . ?
N16 Rh3 C125 154.77(16) . . ?
N16 Rh3 C126 142.97(17) . . ?
C123 Rh3 N5 148.8(2) . . ?
C123 Rh3 N6 132.2(2) . . ?
C123 Rh3 C124 38.7 . . ?
C123 Rh3 C125 63.9 . . ?
C123 Rh3 C126 63.6 . . ?
C124 Rh3 N5 152.01(17) . . ?
C124 Rh3 N6 100.0(2) . . ?
C124 Rh3 C126 63.4 . . ?
C125 Rh3 N5 114.18(17) . . ?
C125 Rh3 N6 99.20(18) . . ?
C125 Rh3 C124 38.0 . . ?
C125 Rh3 C126 37.6 . . ?
C127 Rh3 N5 110.65(19) . . ?
C127 Rh3 N6 162.58(18) . . ?
C127 Rh3 N16 106.34(17) . . ?
C127 Rh3 C123 38.8 . . ?
C127 Rh3 C124 64.7 . . ?
C127 Rh3 C125 63.8 . . ?
C127 Rh3 C126 37.7 . . ?
N7 Rh4 N8 78.4(3) . . ?
N7 Rh4 C133 100.80(17) . . ?
N7 Rh4 C134 90.13(18) . . ?
N7 Rh4 C234 88.97(18) . . ?
N7 Rh4 C236 142.99(19) . . ?
N8 Rh4 C133 100.68(16) . . ?
N8 Rh4 C134 133.42(16) . . ?
N8 Rh4 C234 136.22(16) . . ?
N17 Rh4 N7 92.8(2) . . ?
N17 Rh4 N8 88.9(2) . . ?
N17 Rh4 C133 164.64(16) . . ?
N17 Rh4 C134 137.10(17) . . ?
N17 Rh4 C137 130.50(17) . . ?
N17 Rh4 C234 133.90(17) . . ?
N17 Rh4 C236 92.11(16) . . ?
C134 Rh4 C133 37.1 . . ?
C135 Rh4 N7 115.22(19) . . ?
C135 Rh4 N8 160.17(17) . . ?
C135 Rh4 N17 104.05(16) . . ?
C135 Rh4 C133 63.7 . . ?
C135 Rh4 C134 38.5 . . ?
C135 Rh4 C137 65.3 . . ?
C136 Rh4 N7 154.10(19) . . ?
C136 Rh4 N8 123.57(18) . . ?
C136 Rh4 N17 100.55(16) . . ?
C136 Rh4 C133 64.2 . . ?
C136 Rh4 C134 65.0 . . ?
C136 Rh4 C135 40.0 . . ?
C136 Rh4 C137 39.2 . . ?
C137 Rh4 N7 136.29(17) . . ?
C137 Rh4 N8 94.84(17) . . ?
C137 Rh4 C133 37.4 . . ?
C137 Rh4 C134 63.4 . . ?
C233 Rh4 N7 107.15(17) . . ?
C233 Rh4 N8 106.80(16) . . ?
C233 Rh4 N17 156.53(16) . . ?
C233 Rh4 C234 37.8 . . ?
C233 Rh4 C236 64.5 . . ?
C236 Rh4 N8 138.39(18) . . ?
C236 Rh4 C234 62.1 . . ?
C237 Rh4 N7 147.00(17) . . ?
C237 Rh4 N8 107.40(17) . . ?
C237 Rh4 N17 119.33(17) . . ?
C237 Rh4 C233 39.9 . . ?
C237 Rh4 C234 64.0 . . ?
C237 Rh4 C236 38.7 . . ?
N9 Rh5 N10 78.5(2) . . ?
N20 Rh5 N9 90.03(19) . . ?
N20 Rh5 N10 91.7(2) . . ?
N20 Rh5 C144 137.05(14) . . ?
N20 Rh5 C146 95.67(15) . . ?
N20 Rh5 C147 124.23(15) . . ?
C143 Rh5 N9 101.09(14) . . ?
C143 Rh5 N10 107.18(14) . . ?
C143 Rh5 N20 159.56(15) . . ?
C143 Rh5 C144 38.0 . . ?
C143 Rh5 C146 64.0 . . ?
C143 Rh5 C147 37.7 . . ?
C144 Rh5 N9 132.40(15) . . ?
C144 Rh5 N10 91.11(15) . . ?
C145 Rh5 N9 162.03(14) . . ?
C145 Rh5 N10 113.51(16) . . ?
C145 Rh5 N20 102.44(14) . . ?
C145 Rh5 C143 63.3 . . ?
C145 Rh5 C144 38.9 . . ?
C145 Rh5 C146 38.9 . . ?
C145 Rh5 C147 64.2 . . ?
C146 Rh5 N9 127.89(15) . . ?
C146 Rh5 N10 152.41(17) . . ?
C146 Rh5 C144 65.6 . . ?
C147 Rh5 N9 98.10(14) . . ?
C147 Rh5 N10 144.01(14) . . ?
C147 Rh5 C144 64.5 . . ?
C147 Rh5 C146 38.7 . . ?
N12 Rh6 N11 78.8(2) . . ?
N21 Rh6 N11 89.1(2) . . ?
N21 Rh6 N12 90.7(2) . . ?
N21 Rh6 C153 98.83(15) . . ?
N21 Rh6 C155 161.98(15) . . ?
N21 Rh6 C156 126.59(17) . . ?
N21 Rh6 C157 97.20(15) . . ?
C153 Rh6 N11 118.41(17) . . ?
C153 Rh6 N12 160.18(14) . . ?
C153 Rh6 C157 40.1 . . ?
C154 Rh6 N11 95.42(15) . . ?
C154 Rh6 N12 136.22(15) . . ?
C154 Rh6 N21 132.87(15) . . ?
C154 Rh6 C153 39.1 . . ?
C154 Rh6 C155 39.7 . . ?
C154 Rh6 C156 64.2 . . ?
C154 Rh6 C157 65.1 . . ?
C155 Rh6 N11 106.97(16) . . ?
C155 Rh6 N12 100.12(14) . . ?
C155 Rh6 C153 66.7 . . ?
C155 Rh6 C156 38.5 . . ?
C155 Rh6 C157 64.9 . . ?
C156 Rh6 N11 144.10(17) . . ?
C156 Rh6 N12 95.57(14) . . ?
C156 Rh6 C153 64.8 . . ?
C156 Rh6 C157 36.9 . . ?
C157 Rh6 N11 158.27(17) . . ?
C157 Rh6 N12 121.65(15) . . ?
C1 N1 Rh1 108.9(3) . . ?
C1 N1 C14 103.3(3) . . ?
C14 N1 Rh1 147.8(3) . . ?
C2 N2 Rh1 109.6(3) . . ?
C2 N2 C3 103.1(4) . . ?
C3 N2 Rh1 147.3(4) . . ?
C2 N3 Rh2 109.8(3) . . ?
C2 N3 C8 103.0(4) . . ?
C8 N3 Rh2 147.0(4) . . ?
C1 N4 Rh2 107.7(3) . . ?
C1 N4 C9 104.0(4) . . ?
C9 N4 Rh2 148.3(4) . . ?
C15 N5 Rh3 110.2(5) . . ?
C15 N5 C28 102.4(5) . . ?
C28 N5 Rh3 147.3(5) . . ?
C16 N6 Rh3 109.9(5) . . ?
C16 N6 C17 102.9(5) . . ?
C17 N6 Rh3 147.1(5) . . ?
C16 N7 Rh4 109.8(5) . . ?
C16 N7 C22 102.2(5) . . ?
C22 N7 Rh4 147.9(4) . . ?
C15 N8 Rh4 109.5(4) . . ?
C15 N8 C23 102.5(4) . . ?
C23 N8 Rh4 147.9(4) . . ?
C30 N9 Rh5 108.4(3) . . ?
C30 N9 C36 103.4(4) . . ?
C36 N9 Rh5 148.1(4) . . ?
C29 N10 Rh5 108.5(3) . . ?
C29 N10 C37 103.6(4) . . ?
C37 N10 Rh5 147.7(4) . . ?
C29 N11 Rh6 109.1(4) . . ?
C29 N11 C42 104.2(5) . . ?
C42 N11 Rh6 146.0(5) . . ?
C30 N12 Rh6 109.6(4) . . ?
C30 N12 C31 102.8(4) . . ?
C31 N12 Rh6 147.6(4) . . ?
C43 N13 Rh2 123.3(3) . . ?
C43 N13 C47 117.9(4) . . ?
C47 N13 Rh2 118.8(3) . . ?
C48 N14 H14 118.6 . . ?
C48 N14 C49 122.8(4) . . ?
C49 N14 H14 118.6 . . ?
C56 N15 H15 118.5 . . ?
C57 N15 H15 118.5 . . ?
C57 N15 C56 123.1(4) . . ?
C58 N16 Rh3 117.5(4) . . ?
C62 N16 Rh3 123.9(4) . . ?
C62 N16 C58 118.5(4) . . ?
C63 N17 Rh4 120.9(4) . . ?
C67 N17 Rh4 121.5(3) . . ?
C67 N17 C63 117.5(4) . . ?
C68 N18 H18 118.2 . . ?
C68 N18 C69 123.7(4) . . ?
C69 N18 H18 118.2 . . ?
C76 N19 H19 118.5 . . ?
C77 N19 H19 118.5 . . ?
C77 N19 C76 123.1(3) . . ?
C78 N20 Rh5 119.9(3) . . ?
C78 N20 C82 119.3(4) . . ?
C82 N20 Rh5 120.9(3) . . ?
C83 N21 Rh6 123.2(3) . . ?
C87 N21 Rh6 119.2(4) . . ?
C87 N21 C83 117.3(4) . . ?
C88 N22 H22 118.6 . . ?
C88 N22 C89 122.8(4) . . ?
C89 N22 H22 118.6 . . ?
C96 N23 H23 118.5 . . ?
C97 N23 H23 118.5 . . ?
C97 N23 C96 123.0(4) . . ?
C98 N24 Rh1 119.7(3) . . ?
C102 N24 Rh1 121.4(3) . . ?
C102 N24 C98 118.9(4) . . ?
C48 O1 Ba2 159.4(3) . . ?
C57 O2 Ba1 166.1(3) . . ?
C68 O3 Ba2 167.1(4) . . ?
C77 O4 Ba1 163.1(3) . . ?
C88 O5 Ba2 163.1(3) . . ?
C97 O6 Ba1 161.7(3) . . ?
C104 C103 Rh1 73.3(8) . . ?
C104 C103 C107 112.9(15) . . ?
C104 C103 C108 119.3(18) . . ?
C107 C103 Rh1 70.0(8) . . ?
C107 C103 C108 127.7(17) . . ?
C108 C103 Rh1 124.7(12) . . ?
C103 C104 Rh1 69.6(8) . . ?
C103 C104 C105 105.7(14) . . ?
C103 C104 C109 130.9(18) . . ?
C105 C104 Rh1 71.3(7) . . ?
C109 C104 Rh1 130.1(11) . . ?
C109 C104 C105 122.8(16) . . ?
C104 C105 Rh1 71.1(7) . . ?
C104 C105 C106 112.9(13) . . ?
C104 C105 C110 129.0(14) . . ?
C106 C105 Rh1 69.6(8) . . ?
C106 C105 C110 117.9(16) . . ?
C110 C105 Rh1 123.4(8) . . ?
C105 C106 Rh1 72.1(7) . . ?
C105 C106 C107 102.1(13) . . ?
C105 C106 C111 126(2) . . ?
C107 C106 Rh1 67.5(8) . . ?
C111 C106 Rh1 128.3(10) . . ?
C111 C106 C107 131.6(18) . . ?
C103 C107 Rh1 71.8(8) . . ?
C103 C107 C106 106.1(12) . . ?
C103 C107 C112 123.8(18) . . ?
C106 C107 Rh1 70.4(7) . . ?
C112 C107 Rh1 124.9(13) . . ?
C112 C107 C106 130.0(19) . . ?
C103 C108 H10A 109.5 . . ?
C103 C108 H10B 109.5 . . ?
C103 C108 H10C 109.5 . . ?
H10A C108 H10B 109.5 . . ?
H10A C108 H10C 109.5 . . ?
H10B C108 H10C 109.5 . . ?
C104 C109 H10D 109.5 . . ?
C104 C109 H10E 109.5 . . ?
C104 C109 H10F 109.5 . . ?
H10D C109 H10E 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
C105 C110 H11A 109.5 . . ?
C105 C110 H11B 109.5 . . ?
C105 C110 H11C 109.5 . . ?
H11A C110 H11B 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C106 C111 H11D 109.5 . . ?
C106 C111 H11E 109.5 . . ?
C106 C111 H11F 109.5 . . ?
H11D C111 H11E 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C107 C112 H11G 109.5 . . ?
C107 C112 H11H 109.5 . . ?
C107 C112 H11I 109.5 . . ?
H11G C112 H11H 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
C204 C203 Rh1 66.3 . . ?
C204 C203 C208 126.0 . . ?
C207 C203 Rh1 72.0 . . ?
C207 C203 C204 108.0 . . ?
C207 C203 C208 126.0 . . ?
C208 C203 Rh1 127.2 . . ?
C203 C204 Rh1 76.1 . . ?
C203 C204 C209 126.0 . . ?
C205 C204 Rh1 67.4 . . ?
C205 C204 C203 108.0 . . ?
C205 C204 C209 126.0 . . ?
C209 C204 Rh1 122.1 . . ?
C204 C205 Rh1 73.0 . . ?
C204 C205 C206 108.0 . . ?
C204 C205 C210 126.0 . . ?
C206 C205 Rh1 73.6 . . ?
C206 C205 C210 126.0 . . ?
C210 C205 Rh1 119.2 . . ?
C205 C206 Rh1 67.0 . . ?
C205 C206 C211 126.0 . . ?
C207 C206 Rh1 75.9 . . ?
C207 C206 C205 108.0 . . ?
C207 C206 C211 126.0 . . ?
C211 C206 Rh1 122.7 . . ?
C203 C207 Rh1 71.4 . . ?
C203 C207 C212 126.0 . . ?
C206 C207 Rh1 66.7 . . ?
C206 C207 C203 108.0 . . ?
C206 C207 C212 126.0 . . ?
C212 C207 Rh1 127.5 . . ?
C203 C208 H20A 109.5 . . ?
C203 C208 H20B 109.5 . . ?
C203 C208 H20C 109.5 . . ?
H20A C208 H20B 109.5 . . ?
H20A C208 H20C 109.5 . . ?
H20B C208 H20C 109.5 . . ?
C204 C209 H20D 109.5 . . ?
C204 C209 H20E 109.5 . . ?
C204 C209 H20F 109.5 . . ?
H20D C209 H20E 109.5 . . ?
H20D C209 H20F 109.5 . . ?
H20E C209 H20F 109.5 . . ?
C205 C210 H21A 109.5 . . ?
C205 C210 H21B 109.5 . . ?
C205 C210 H21C 109.5 . . ?
H21A C210 H21B 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
C206 C211 H21D 109.5 . . ?
C206 C211 H21E 109.5 . . ?
C206 C211 H21F 109.5 . . ?
H21D C211 H21E 109.5 . . ?
H21D C211 H21F 109.5 . . ?
H21E C211 H21F 109.5 . . ?
C207 C212 H21G 109.5 . . ?
C207 C212 H21H 109.5 . . ?
C207 C212 H21I 109.5 . . ?
H21G C212 H21H 109.5 . . ?
H21G C212 H21I 109.5 . . ?
H21H C212 H21I 109.5 . . ?
C134 C133 Rh4 69.7 . . ?
C134 C133 C137 108.0 . . ?
C134 C133 C138 126.0 . . ?
C137 C133 Rh4 67.9 . . ?
C137 C133 C138 126.0 . . ?
C138 C133 Rh4 127.9 . . ?
C133 C134 Rh4 73.3 . . ?
C133 C134 C135 108.0 . . ?
C133 C134 C139 126.0 . . ?
C135 C134 Rh4 66.2 . . ?
C135 C134 C139 126.0 . . ?
C139 C134 Rh4 126.1 . . ?
C134 C135 Rh4 75.3 . . ?
C134 C135 C140 126.0 . . ?
C136 C135 Rh4 69.0 . . ?
C136 C135 C134 108.0 . . ?
C136 C135 C140 126.0 . . ?
C140 C135 Rh4 121.4 . . ?
C135 C136 Rh4 71.0 . . ?
C135 C136 C137 108.0 . . ?
C135 C136 C141 126.0 . . ?
C137 C136 Rh4 74.4 . . ?
C137 C136 C141 126.0 . . ?
C141 C136 Rh4 120.4 . . ?
C133 C137 Rh4 74.7 . . ?
C133 C137 C142 126.0 . . ?
C136 C137 Rh4 66.5 . . ?
C136 C137 C133 108.0 . . ?
C136 C137 C142 126.0 . . ?
C142 C137 Rh4 124.4 . . ?
C133 C138 H13A 109.5 . . ?
C133 C138 H13B 109.5 . . ?
C133 C138 H13C 109.5 . . ?
H13A C138 H13B 109.5 . . ?
H13A C138 H13C 109.5 . . ?
H13B C138 H13C 109.5 . . ?
C134 C139 H13D 109.5 . . ?
C134 C139 H13E 109.5 . . ?
C134 C139 H13F 109.5 . . ?
H13D C139 H13E 109.5 . . ?
H13D C139 H13F 109.5 . . ?
H13E C139 H13F 109.5 . . ?
C135 C140 H14A 109.5 . . ?
C135 C140 H14B 109.5 . . ?
C135 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C136 C141 H14D 109.5 . . ?
C136 C141 H14E 109.5 . . ?
C136 C141 H14F 109.5 . . ?
H14D C141 H14E 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
C137 C142 H14G 109.5 . . ?
C137 C142 H14H 109.5 . . ?
C137 C142 H14I 109.5 . . ?
H14G C142 H14H 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C234 C233 Rh4 77.1 . . ?
C234 C233 C237 108.0 . . ?
C234 C233 C238 126.1 . . ?
C237 C233 Rh4 68.6 . . ?
C237 C233 C238 126.0 . . ?
C238 C233 Rh4 119.9 . . ?
C233 C234 Rh4 65.2 . . ?
C233 C234 C235 108.1 . . ?
C233 C234 C239 126.0 . . ?
C235 C234 Rh4 74.2 . . ?
C235 C234 C239 126.0 . . ?
C239 C234 Rh4 126.2 . . ?
C234 C235 Rh4 69.7 . . ?
C234 C235 C236 108.0 . . ?
C234 C235 C240 126.1 . . ?
C236 C235 Rh4 67.3 . . ?
C236 C235 C240 125.9 . . ?
C240 C235 Rh4 128.5 . . ?
C235 C236 Rh4 76.1 . . ?
C235 C236 C241 126.1 . . ?
C237 C236 Rh4 65.4 . . ?
C237 C236 C235 107.9 . . ?
C237 C236 C241 126.0 . . ?
C241 C236 Rh4 123.9 . . ?
C233 C237 Rh4 71.5 . . ?
C233 C237 C236 108.1 . . ?
C233 C237 C242 126.0 . . ?
C236 C237 Rh4 75.9 . . ?
C236 C237 C242 125.9 . . ?
C242 C237 Rh4 118.5 . . ?
C233 C238 H23A 109.5 . . ?
C233 C238 H23B 109.5 . . ?
C233 C238 H23C 109.5 . . ?
H23A C238 H23B 109.5 . . ?
H23A C238 H23C 109.5 . . ?
H23B C238 H23C 109.5 . . ?
C234 C239 H23D 109.5 . . ?
C234 C239 H23E 109.5 . . ?
C234 C239 H23F 109.5 . . ?
H23D C239 H23E 109.5 . . ?
H23D C239 H23F 109.5 . . ?
H23E C239 H23F 109.5 . . ?
C235 C240 H24A 109.5 . . ?
C235 C240 H24B 109.5 . . ?
C235 C240 H24C 109.5 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
C236 C241 H24D 109.5 . . ?
C236 C241 H24E 109.5 . . ?
C236 C241 H24F 109.5 . . ?
H24D C241 H24E 109.5 . . ?
H24D C241 H24F 109.5 . . ?
H24E C241 H24F 109.5 . . ?
C237 C242 H24G 109.5 . . ?
C237 C242 H24H 109.5 . . ?
C237 C242 H24I 109.5 . . ?
H24G C242 H24H 109.5 . . ?
H24G C242 H24I 109.5 . . ?
H24H C242 H24I 109.5 . . ?
O10 S2 O12 111.4 . . ?
O10 S2 C164 100.0 . . ?
O11 S2 O10 119.4 . . ?
O11 S2 O12 118.3 . . ?
O11 S2 C164 100.8 . . ?
O12 S2 C164 102.6 . . ?
F4 C164 S2 114.3 . . ?
F4 C164 F6 105.7 . . ?
F5 C164 S2 115.1 . . ?
F5 C164 F4 108.5 . . ?
F5 C164 F6 101.3 . . ?
F6 C164 S2 110.9 . . ?
O10' S2' O11' 120.3 . . ?
O10' S2' O12' 110.8 . . ?
O10' S2' C264 91.6 . . ?
O11' S2' O12' 124.1 . . ?
O11' S2' C264 98.6 . . ?
O12' S2' C264 101.3 . . ?
F4' C264 S2' 114.0 . . ?
F4' C264 F6' 114.9 . . ?
F5' C264 S2' 105.5 . . ?
F5' C264 F4' 106.8 . . ?
F5' C264 F6' 112.5 . . ?
F6' C264 S2' 102.9 . . ?
O13 S3 C165 104.4 . . ?
O14 S3 O13 113.6 . . ?
O14 S3 O15 116.5 . . ?
O14 S3 C165 106.6 . . ?
O15 S3 O13 110.3 . . ?
O15 S3 C165 104.2 . . ?
F7 C165 S3 99.7 . . ?
F8 C165 S3 101.9 . . ?
F8 C165 F7 100.5 . . ?
F9 C165 S3 105.8 . . ?
F9 C165 F7 117.7 . . ?
F9 C165 F8 127.0 . . ?
O13' S3' C265 115.2 . . ?
O14' S3' O13' 98.3 . . ?
O14' S3' C265 107.0 . . ?
O15' S3' O13' 129.9 . . ?
O15' S3' O14' 112.8 . . ?
O15' S3' C265 92.7 . . ?
F7' C265 S3' 112.2 . . ?
F7' C265 F9' 96.6 . . ?
F8' C265 S3' 123.3 . . ?
F8' C265 F7' 118.4 . . ?
F8' C265 F9' 94.4 . . ?
F9' C265 S3' 103.9 . . ?
O22 S6 O23 105.1 . . ?
O22 S6 O24 128.6 . . ?
O22 S6 C168 101.0 . . ?
O23 S6 C168 107.8 . . ?
O24 S6 O23 91.3 . . ?
O24 S6 C168 120.0 . . ?
S6 O22 Ba2 155.5 . . ?
F16 C168 S6 114.5 . . ?
F16 C168 F18 106.5 . . ?
F17 C168 S6 110.2 . . ?
F17 C168 F16 112.3 . . ?
F17 C168 F18 111.5 . . ?
F18 C168 S6 101.3 . . ?
O22' S6' C268 102.2 . . ?
O23' S6' O22' 118.7 . . ?
O23' S6' C268 109.7 . . ?
O24' S6' O22' 95.7 . . ?
O24' S6' O23' 124.3 . . ?
O24' S6' C268 103.0 . . ?
S6' O22' Ba2 126.5 . . ?
F16' C268 S6' 101.7 . . ?
F17' C268 S6' 100.4 . . ?
F17' C268 F16' 120.0 . . ?
F18' C268 S6' 97.8 . . ?
F18' C268 F16' 102.0 . . ?
F18' C268 F17' 129.0 . . ?
S5 O19 Ba1 102.6 . . ?
S5 O20 Ba1 101.9 . . ?
O7 S1 C163 105.3 . . ?
O8 S1 O7 113.3 . . ?
O8 S1 C163 99.5 . . ?
O9 S1 O7 115.4 . . ?
O9 S1 O8 117.4 . . ?
O9 S1 C163 103.0 . . ?
O16 S4 O17 117.8 . . ?
O16 S4 O18 107.7 . . ?
O16 S4 C166 100.8 . . ?
O17 S4 C166 99.5 . . ?
O18 S4 O17 121.9 . . ?
O18 S4 C166 105.7 . . ?
O19 S5 Ba1 52.9 . . ?
O19 S5 C167 100.1 . . ?
O20 S5 Ba1 53.9 . . ?
O20 S5 O19 105.5 . . ?
O20 S5 O21 115.9 . . ?
O20 S5 C167 104.4 . . ?
O21 S5 Ba1 138.5 . . ?
O21 S5 O19 126.3 . . ?
O21 S5 C167 100.9 . . ?
C167 S5 Ba1 120.5 . . ?
N1 C1 C2 120.2(2) . . ?
N4 C1 N1 117.1(3) . . ?
N4 C1 C2 122.2(2) . . ?
N2 C2 N3 118.8(4) . . ?
N2 C2 C1 120.5(2) . . ?
N3 C2 C1 120.1(3) . . ?
N2 C3 C4 131.2(2) . . ?
N2 C3 C8 108.0(2) . . ?
C4 C3 C8 120.9 . . ?
C3 C4 H4 122.5 . . ?
C3 C4 C5 115.0 . . ?
C5 C4 H4 122.5 . . ?
C4 C5 H5 117.8 . . ?
C6 C5 C4 124.5 . . ?
C6 C5 H5 117.8 . . ?
C5 C6 H6 118.6 . . ?
C5 C6 C7 122.9 . . ?
C7 C6 H6 118.6 . . ?
C6 C7 H7 121.9 . . ?
C8 C7 C6 116.2 . . ?
C8 C7 H7 121.9 . . ?
N3 C8 C3 107.2(2) . . ?
C7 C8 N3 132.2(2) . . ?
C7 C8 C3 120.6 . . ?
N4 C9 C14 107.6(2) . . ?
C10 C9 N4 131.9(2) . . ?
C10 C9 C14 120.5 . . ?
C9 C10 H10 121.0 . . ?
C9 C10 C11 117.9 . . ?
C11 C10 H10 121.0 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.0 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 118.7 . . ?
C13 C12 C11 122.7 . . ?
C13 C12 H12 118.7 . . ?
C12 C13 H13 121.9 . . ?
C12 C13 C14 116.2 . . ?
C14 C13 H13 121.9 . . ?
N1 C14 C9 108.1(2) . . ?
N1 C14 C13 129.9(2) . . ?
C9 C14 C13 121.8 . . ?
N5 C15 C16 118.5(3) . . ?
N8 C15 N5 119.0(5) . . ?
N8 C15 C16 122.0(3) . . ?
N6 C16 N7 119.5(5) . . ?
N6 C16 C15 121.6(4) . . ?
N7 C16 C15 118.2(3) . . ?
N6 C17 C22 107.4(3) . . ?
C18 C17 N6 133.5(3) . . ?
C18 C17 C22 119.0 . . ?
C17 C18 H18A 120.0 . . ?
C17 C18 C19 120.1 . . ?
C19 C18 H18A 120.0 . . ?
C18 C19 H19A 119.9 . . ?
C18 C19 C20 120.3 . . ?
C20 C19 H19A 119.9 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 C19 119.1 . . ?
C21 C20 H20 120.5 . . ?
C20 C21 H21 119.2 . . ?
C20 C21 C22 121.5 . . ?
C22 C21 H21 119.2 . . ?
N7 C22 C17 107.9(3) . . ?
N7 C22 C21 132.2(3) . . ?
C21 C22 C17 119.8 . . ?
N8 C23 C24 128.5(3) . . ?
N8 C23 C28 107.6(3) . . ?
C24 C23 C28 123.8 . . ?
C23 C24 H24 123.1 . . ?
C23 C24 C25 113.7 . . ?
C25 C24 H24 123.1 . . ?
C24 C25 H25 118.1 . . ?
C26 C25 C24 123.8 . . ?
C26 C25 H25 118.1 . . ?
C25 C26 H26 118.8 . . ?
C25 C26 C27 122.4 . . ?
C27 C26 H26 118.8 . . ?
C26 C27 H27 122.0 . . ?
C28 C27 C26 116.1 . . ?
C28 C27 H27 122.0 . . ?
N5 C28 C23 108.4(3) . . ?
N5 C28 C27 131.6(3) . . ?
C27 C28 C23 120.0 . . ?
N10 C29 C30 120.1(3) . . ?
N11 C29 N10 117.0(4) . . ?
N11 C29 C30 121.5(3) . . ?
N9 C30 N12 118.3(4) . . ?
N9 C30 C29 121.4(2) . . ?
N12 C30 C29 119.0(3) . . ?
N12 C31 C36 106.7(2) . . ?
C32 C31 N12 132.3(2) . . ?
C32 C31 C36 120.8 . . ?
C31 C32 H32 121.5 . . ?
C33 C32 C31 117.0 . . ?
C33 C32 H32 121.5 . . ?
C32 C33 H33 117.9 . . ?
C32 C33 C34 124.2 . . ?
C34 C33 H33 117.9 . . ?
C33 C34 H34 120.3 . . ?
C35 C34 C33 119.4 . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 120.4 . . ?
C36 C35 C34 119.2 . . ?
C36 C35 H35 120.4 . . ?
N9 C36 C31 108.9(2) . . ?
N9 C36 C35 131.5(2) . . ?
C35 C36 C31 119.4 . . ?
N10 C37 C42 107.7(3) . . ?
C38 C37 N10 130.9(3) . . ?
C38 C37 C42 121.0 . . ?
C37 C38 H38 120.8 . . ?
C37 C38 C39 118.4 . . ?
C39 C38 H38 120.8 . . ?
C38 C39 H39 119.5 . . ?
C40 C39 C38 120.9 . . ?
C40 C39 H39 119.5 . . ?
C39 C40 H40 118.0 . . ?
C39 C40 C41 124.1 . . ?
C41 C40 H40 118.0 . . ?
C40 C41 H41 123.2 . . ?
C42 C41 C40 113.6 . . ?
C42 C41 H41 123.2 . . ?
N11 C42 C37 107.4(3) . . ?
C41 C42 N11 130.7(3) . . ?
C41 C42 C37 121.9 . . ?
N13 C43 H43 118.6 . . ?
N13 C43 C44 122.7(2) . . ?
C44 C43 H43 118.6 . . ?
C43 C44 H44 121.0 . . ?
C43 C44 C45 118.0 . . ?
C45 C44 H44 121.0 . . ?
C44 C45 C48 121.6 . . ?
C46 C45 C44 118.8 . . ?
C46 C45 C48 119.5 . . ?
C45 C46 H46 120.1 . . ?
C45 C46 C47 119.8 . . ?
C47 C46 H46 120.1 . . ?
N13 C47 C46 122.7(2) . . ?
N13 C47 H47 118.7 . . ?
C46 C47 H47 118.7 . . ?
N14 C48 C45 117.7(2) . . ?
O1 C48 N14 125.1(3) . . ?
O1 C48 C45 117.2(2) . . ?
N14 C49 H49A 108.9 . . ?
N14 C49 H49B 108.9 . . ?
N14 C49 C50 113.3(2) . . ?
H49A C49 H49B 107.7 . . ?
C50 C49 H49A 108.9 . . ?
C50 C49 H49B 108.9 . . ?
C51 C50 C49 119.9 . . ?
C55 C50 C49 121.1 . . ?
C55 C50 C51 118.9 . . ?
C50 C51 H51 119.8 . . ?
C52 C51 C50 120.5 . . ?
C52 C51 H51 119.8 . . ?
C51 C52 H52 119.5 . . ?
C51 C52 C53 121.1 . . ?
C53 C52 H52 119.5 . . ?
C52 C53 C54 117.7 . . ?
C52 C53 C56 120.0 . . ?
C54 C53 C56 122.1 . . ?
C53 C54 H54 119.4 . . ?
C55 C54 C53 121.1 . . ?
C55 C54 H54 119.4 . . ?
C50 C55 H55 119.7 . . ?
C54 C55 C50 120.6 . . ?
C54 C55 H55 119.7 . . ?
N15 C56 C53 111.0(2) . . ?
N15 C56 H56A 109.4 . . ?
N15 C56 H56B 109.4 . . ?
C53 C56 H56A 109.4 . . ?
C53 C56 H56B 109.4 . . ?
H56A C56 H56B 108.0 . . ?
N15 C57 C60 117.4(2) . . ?
O2 C57 N15 122.9(3) . . ?
O2 C57 C60 119.7(2) . . ?
N16 C58 H58 118.4 . . ?
N16 C58 C59 123.2(3) . . ?
C59 C58 H58 118.4 . . ?
C58 C59 H59 121.1 . . ?
C60 C59 C58 117.8 . . ?
C60 C59 H59 121.1 . . ?
C59 C60 C57 118.3 . . ?
C59 C60 C61 118.8 . . ?
C61 C60 C57 122.9 . . ?
C60 C61 H61 120.8 . . ?
C62 C61 C60 118.3 . . ?
C62 C61 H61 120.8 . . ?
N16 C62 C61 123.1(2) . . ?
N16 C62 H62 118.4 . . ?
C61 C62 H62 118.4 . . ?
N17 C63 H63 118.5 . . ?
C64 C63 N17 123.1(3) . . ?
C64 C63 H63 118.5 . . ?
C63 C64 H64 120.5 . . ?
C63 C64 C65 119.1 . . ?
C65 C64 H64 120.5 . . ?
C64 C65 C68 121.6 . . ?
C66 C65 C64 118.2 . . ?
C66 C65 C68 120.1 . . ?
C65 C66 H66 120.3 . . ?
C65 C66 C67 119.5 . . ?
C67 C66 H66 120.3 . . ?
N17 C67 C66 122.6(2) . . ?
N17 C67 H67 118.7 . . ?
C66 C67 H67 118.7 . . ?
N18 C68 C65 117.4(3) . . ?
O3 C68 N18 122.7(3) . . ?
O3 C68 C65 119.9(2) . . ?
N18 C69 H69A 109.1 . . ?
N18 C69 H69B 109.1 . . ?
N18 C69 C70 112.3(2) . . ?
H69A C69 H69B 107.9 . . ?
C70 C69 H69A 109.1 . . ?
C70 C69 H69B 109.1 . . ?
C71 C70 C69 121.6 . . ?
C75 C70 C69 122.0 . . ?
C75 C70 C71 116.3 . . ?
C70 C71 H71 118.7 . . ?
C72 C71 C70 122.6 . . ?
C72 C71 H71 118.7 . . ?
C71 C72 H72 120.3 . . ?
C71 C72 C73 119.5 . . ?
C73 C72 H72 120.3 . . ?
C72 C73 C76 119.4 . . ?
C74 C73 C72 119.0 . . ?
C74 C73 C76 121.6 . . ?
C73 C74 H74 119.9 . . ?
C75 C74 C73 120.2 . . ?
C75 C74 H74 119.9 . . ?
C70 C75 H75 118.8 . . ?
C74 C75 C70 122.3 . . ?
C74 C75 H75 118.8 . . ?
N19 C76 C73 113.13(18) . . ?
N19 C76 H76A 109.0 . . ?
N19 C76 H76B 109.0 . . ?
C73 C76 H76A 109.0 . . ?
C73 C76 H76B 109.0 . . ?
H76A C76 H76B 107.8 . . ?
N19 C77 C80 117.2(2) . . ?
O4 C77 N19 123.1(3) . . ?
O4 C77 C80 119.6(2) . . ?
N20 C78 H78 119.4 . . ?
N20 C78 C79 121.2(2) . . ?
C79 C78 H78 119.4 . . ?
C78 C79 H79 120.1 . . ?
C80 C79 C78 119.8 . . ?
C80 C79 H79 120.1 . . ?
C79 C80 C77 119.1 . . ?
C79 C80 C81 118.7 . . ?
C81 C80 C77 121.8 . . ?
C80 C81 H81 121.1 . . ?
C80 C81 C82 117.9 . . ?
C82 C81 H81 121.1 . . ?
N20 C82 C81 123.1(2) . . ?
N20 C82 H82 118.5 . . ?
C81 C82 H82 118.5 . . ?
N21 C83 H83 118.8 . . ?
N21 C83 C84 122.4(2) . . ?
C84 C83 H83 118.8 . . ?
C83 C84 H84 120.0 . . ?
C83 C84 C85 120.0 . . ?
C85 C84 H84 120.0 . . ?
C84 C85 C86 118.4 . . ?
C84 C85 C88 123.2 . . ?
C86 C85 C88 118.3 . . ?
C85 C86 H86 120.8 . . ?
C85 C86 C87 118.3 . . ?
C87 C86 H86 120.9 . . ?
N21 C87 C86 123.4(3) . . ?
N21 C87 H87 118.3 . . ?
C86 C87 H87 118.3 . . ?
N22 C88 C85 117.5(2) . . ?
O5 C88 N22 122.4(3) . . ?
O5 C88 C85 120.1(2) . . ?
N22 C89 H89A 109.5 . . ?
N22 C89 H89B 109.5 . . ?
N22 C89 C90 110.7(2) . . ?
H89A C89 H89B 108.1 . . ?
C90 C89 H89A 109.5 . . ?
C90 C89 H89B 109.5 . . ?
C91 C90 C89 121.6 . . ?
C91 C90 C95 120.4 . . ?
C95 C90 C89 118.0 . . ?
C90 C91 H91 119.8 . . ?
C90 C91 C92 120.3 . . ?
C92 C91 H91 119.8 . . ?
C91 C92 H92 119.3 . . ?
C93 C92 C91 121.3 . . ?
C93 C92 H92 119.3 . . ?
C92 C93 C94 118.8 . . ?
C92 C93 C96 121.5 . . ?
C94 C93 C96 119.7 . . ?
C93 C94 H94 120.2 . . ?
C95 C94 C93 119.6 . . ?
C95 C94 H94 120.2 . . ?
C90 C95 C94 119.5 . . ?
C90 C95 H95 120.3 . . ?
C94 C95 H95 120.3 . . ?
N23 C96 C93 111.3(2) . . ?
N23 C96 H96A 109.4 . . ?
N23 C96 H96B 109.4 . . ?
C93 C96 H96A 109.4 . . ?
C93 C96 H96B 109.4 . . ?
H96A C96 H96B 108.0 . . ?
N23 C97 C100 116.3(2) . . ?
O6 C97 N23 124.3(3) . . ?
O6 C97 C100 119.3(2) . . ?
N24 C98 H98 119.4 . . ?
N24 C98 C99 121.2(2) . . ?
C99 C98 H98 119.4 . . ?
C98 C99 H99 120.1 . . ?
C100 C99 C98 119.8 . . ?
C100 C99 H99 120.1 . . ?
C99 C100 C97 118.9 . . ?
C101 C100 C97 122.9 . . ?
C101 C100 C99 118.2 . . ?
C100 C101 H101 119.9 . . ?
C100 C101 C102 120.2 . . ?
C102 C101 H101 119.9 . . ?
N24 C102 C101 121.7(2) . . ?
N24 C102 H102 119.1 . . ?
C101 C102 H102 119.1 . . ?
C114 C113 Rh2 72.3 . . ?
C114 C113 C118 131.8 . . ?
C117 C113 Rh2 72.8 . . ?
C117 C113 C114 109.6 . . ?
C117 C113 C118 117.4 . . ?
C118 C113 Rh2 130.5 . . ?
C113 C114 Rh2 67.8 . . ?
C113 C114 C119 128.7 . . ?
C115 C114 Rh2 69.8 . . ?
C115 C114 C113 102.1 . . ?
C115 C114 C119 129.1 . . ?
C119 C114 Rh2 126.5 . . ?
C114 C115 Rh2 71.8 . . ?
C114 C115 C120 119.9 . . ?
C116 C115 Rh2 71.4 . . ?
C116 C115 C114 113.2 . . ?
C116 C115 C120 126.8 . . ?
C120 C115 Rh2 125.1 . . ?
C115 C116 Rh2 70.7 . . ?
C115 C116 C117 105.6 . . ?
C115 C116 C121 116.4 . . ?
C117 C116 Rh2 71.2 . . ?
C117 C116 C121 137.8 . . ?
C121 C116 Rh2 124.9 . . ?
C113 C117 Rh2 69.1 . . ?
C113 C117 C116 109.3 . . ?
C113 C117 C122 137.4 . . ?
C116 C117 Rh2 70.9 . . ?
C116 C117 C122 113.1 . . ?
C122 C117 Rh2 121.9 . . ?
C113 C118 H11J 109.5 . . ?
C113 C118 H11K 109.5 . . ?
C113 C118 H11L 109.5 . . ?
H11J C118 H11K 109.5 . . ?
H11J C118 H11L 109.5 . . ?
H11K C118 H11L 109.5 . . ?
C114 C119 H11M 109.5 . . ?
C114 C119 H11N 109.5 . . ?
C114 C119 H11O 109.5 . . ?
H11M C119 H11N 109.5 . . ?
H11M C119 H11O 109.5 . . ?
H11N C119 H11O 109.5 . . ?
C115 C120 H12A 109.5 . . ?
C115 C120 H12B 109.5 . . ?
C115 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C116 C121 H12D 109.5 . . ?
C116 C121 H12E 109.5 . . ?
C116 C121 H12F 109.5 . . ?
H12D C121 H12E 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C117 C122 H12G 109.5 . . ?
C117 C122 H12H 109.5 . . ?
C117 C122 H12I 109.5 . . ?
H12G C122 H12H 109.5 . . ?
H12G C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
C124 C123 Rh3 72.1 . . ?
C124 C123 C128 118.7 . . ?
C127 C123 Rh3 69.6 . . ?
C127 C123 C124 107.6 . . ?
C127 C123 C128 133.3 . . ?
C128 C123 Rh3 128.5 . . ?
C123 C124 Rh3 69.2 . . ?
C123 C124 C129 129.2 . . ?
C125 C124 Rh3 69.8 . . ?
C125 C124 C123 106.1 . . ?
C125 C124 C129 124.8 . . ?
C129 C124 Rh3 126.3 . . ?
C124 C125 Rh3 72.2 . . ?
C124 C125 C130 134.5 . . ?
C126 C125 Rh3 72.6 . . ?
C126 C125 C124 109.7 . . ?
C126 C125 C130 115.8 . . ?
C130 C125 Rh3 121.7 . . ?
C125 C126 Rh3 69.8 . . ?
C125 C126 C131 127.8 . . ?
C127 C126 Rh3 68.5 . . ?
C127 C126 C125 107.8 . . ?
C127 C126 C131 124.4 . . ?
C131 C126 Rh3 124.5 . . ?
C123 C127 Rh3 71.6 . . ?
C123 C127 C132 121.6 . . ?
C126 C127 Rh3 73.8 . . ?
C126 C127 C123 108.5 . . ?
C126 C127 C132 129.8 . . ?
C132 C127 Rh3 122.5 . . ?
C123 C128 H12J 109.5 . . ?
C123 C128 H12K 109.5 . . ?
C123 C128 H12L 109.5 . . ?
H12J C128 H12K 109.5 . . ?
H12J C128 H12L 109.5 . . ?
H12K C128 H12L 109.5 . . ?
C124 C129 H12M 109.5 . . ?
C124 C129 H12N 109.5 . . ?
C124 C129 H12O 109.5 . . ?
H12M C129 H12N 109.5 . . ?
H12M C129 H12O 109.5 . . ?
H12N C129 H12O 109.5 . . ?
C125 C130 H13G 109.5 . . ?
C125 C130 H13H 109.5 . . ?
C125 C130 H13I 109.5 . . ?
H13G C130 H13H 109.5 . . ?
H13G C130 H13I 109.5 . . ?
H13H C130 H13I 109.5 . . ?
C126 C131 H13J 109.5 . . ?
C126 C131 H13K 109.5 . . ?
C126 C131 H13L 109.5 . . ?
H13J C131 H13K 109.5 . . ?
H13J C131 H13L 109.5 . . ?
H13K C131 H13L 109.5 . . ?
C127 C132 H13M 109.5 . . ?
C127 C132 H13N 109.5 . . ?
C127 C132 H13O 109.5 . . ?
H13M C132 H13N 109.5 . . ?
H13M C132 H13O 109.5 . . ?
H13N C132 H13O 109.5 . . ?
C144 C143 Rh5 73.1 . . ?
C144 C143 C148 122.4 . . ?
C147 C143 Rh5 72.1 . . ?
C147 C143 C144 112.4 . . ?
C147 C143 C148 125.2 . . ?
C148 C143 Rh5 124.2 . . ?
C143 C144 Rh5 68.9 . . ?
C143 C144 C145 103.6 . . ?
C143 C144 C149 128.0 . . ?
C145 C144 Rh5 68.2 . . ?
C145 C144 C149 128.3 . . ?
C149 C144 Rh5 129.2 . . ?
C144 C145 Rh5 73.0 . . ?
C144 C145 C150 125.8 . . ?
C146 C145 Rh5 72.3 . . ?
C146 C145 C144 111.0 . . ?
C146 C145 C150 123.1 . . ?
C150 C145 Rh5 124.6 . . ?
C145 C146 Rh5 68.8 . . ?
C145 C146 C147 105.1 . . ?
C145 C146 C151 125.9 . . ?
C147 C146 Rh5 70.1 . . ?
C147 C146 C151 129.0 . . ?
C151 C146 Rh5 126.0 . . ?
C143 C147 Rh5 70.2 . . ?
C143 C147 C146 107.8 . . ?
C143 C147 C152 126.3 . . ?
C146 C147 Rh5 71.1 . . ?
C146 C147 C152 125.9 . . ?
C152 C147 Rh5 124.0 . . ?
C143 C148 H14J 109.5 . . ?
C143 C148 H14K 109.5 . . ?
C143 C148 H14L 109.5 . . ?
H14J C148 H14K 109.5 . . ?
H14J C148 H14L 109.5 . . ?
H14K C148 H14L 109.5 . . ?
C144 C149 H14M 109.5 . . ?
C144 C149 H14N 109.5 . . ?
C144 C149 H14O 109.5 . . ?
H14M C149 H14N 109.5 . . ?
H14M C149 H14O 109.5 . . ?
H14N C149 H14O 109.5 . . ?
C145 C150 H15A 109.5 . . ?
C145 C150 H15B 109.5 . . ?
C145 C150 H15C 109.5 . . ?
H15A C150 H15B 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C146 C151 H15D 109.5 . . ?
C146 C151 H15E 109.5 . . ?
C146 C151 H15F 109.5 . . ?
H15D C151 H15E 109.5 . . ?
H15D C151 H15F 109.5 . . ?
H15E C151 H15F 109.5 . . ?
C147 C152 H15G 109.5 . . ?
C147 C152 H15H 109.5 . . ?
C147 C152 H15I 109.5 . . ?
H15G C152 H15H 109.5 . . ?
H15G C152 H15I 109.5 . . ?
H15H C152 H15I 109.5 . . ?
C154 C153 Rh6 69.2 . . ?
C154 C153 C157 104.8 . . ?
C154 C153 C158 131.9 . . ?
C157 C153 Rh6 70.5 . . ?
C157 C153 C158 123.2 . . ?
C158 C153 Rh6 127.0 . . ?
C153 C154 Rh6 71.6 . . ?
C153 C154 C155 110.1 . . ?
C153 C154 C159 123.1 . . ?
C155 C154 Rh6 70.8 . . ?
C155 C154 C159 126.7 . . ?
C159 C154 Rh6 126.3 . . ?
C154 C155 Rh6 69.5 . . ?
C154 C155 C160 128.2 . . ?
C156 C155 Rh6 70.8 . . ?
C156 C155 C154 104.8 . . ?
C156 C155 C160 126.9 . . ?
C160 C155 Rh6 126.7 . . ?
C155 C156 Rh6 70.7 . . ?
C155 C156 C161 126.8 . . ?
C157 C156 Rh6 72.7 . . ?
C157 C156 C155 112.5 . . ?
C157 C156 C161 120.6 . . ?
C161 C156 Rh6 124.9 . . ?
C153 C157 Rh6 69.3 . . ?
C153 C157 C162 120.7 . . ?
C156 C157 Rh6 70.4 . . ?
C156 C157 C153 107.6 . . ?
C156 C157 C162 131.6 . . ?
C162 C157 Rh6 124.2 . . ?
C153 C158 H15J 109.5 . . ?
C153 C158 H15K 109.5 . . ?
C153 C158 H15L 109.5 . . ?
H15J C158 H15K 109.5 . . ?
H15J C158 H15L 109.5 . . ?
H15K C158 H15L 109.5 . . ?
C154 C159 H15M 109.5 . . ?
C154 C159 H15N 109.5 . . ?
C154 C159 H15O 109.5 . . ?
H15M C159 H15N 109.5 . . ?
H15M C159 H15O 109.5 . . ?
H15N C159 H15O 109.5 . . ?
C155 C160 H16A 109.5 . . ?
C155 C160 H16B 109.5 . . ?
C155 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C156 C161 H16D 109.5 . . ?
C156 C161 H16E 109.5 . . ?
C156 C161 H16F 109.5 . . ?
H16D C161 H16E 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
C157 C162 H16G 109.5 . . ?
C157 C162 H16H 109.5 . . ?
C157 C162 H16I 109.5 . . ?
H16G C162 H16H 109.5 . . ?
H16G C162 H16I 109.5 . . ?
H16H C162 H16I 109.5 . . ?
F1 C163 S1 115.4 . . ?
F1 C163 F2 109.2 . . ?
F1 C163 F3 105.1 . . ?
F2 C163 S1 110.2 . . ?
F3 C163 S1 110.4 . . ?
F3 C163 F2 106.0 . . ?
F10 C166 S4 111.4 . . ?
F10 C166 F11 99.6 . . ?
F11 C166 S4 115.3 . . ?
F12 C166 S4 115.8 . . ?
F12 C166 F10 116.5 . . ?
F12 C166 F11 96.3 . . ?
F13 C167 S5 106.4 . . ?
F14 C167 S5 116.3 . . ?
F14 C167 F13 103.6 . . ?
F14 C167 F15 101.0 . . ?
F15 C167 S5 109.6 . . ?
F15 C167 F13 120.4 . . ?
S11 O37 Ba1 141.5 . . ?
S21 O37 Ba1 173.5 . . ?
O37 S11 C173 105.7 . . ?
O37 S11 C174 107.4 . . ?
C174 S11 C173 103.8 . . ?
S11 C173 H17A 109.5 . . ?
S11 C173 H17B 109.5 . . ?
S11 C173 H17C 109.5 . . ?
H17A C173 H17B 109.5 . . ?
H17A C173 H17C 109.5 . . ?
H17B C173 H17C 109.5 . . ?
S11 C174 H17D 109.5 . . ?
S11 C174 H17E 109.5 . . ?
S11 C174 H17F 109.5 . . ?
H17D C174 H17E 109.5 . . ?
H17D C174 H17F 109.5 . . ?
H17E C174 H17F 109.5 . . ?
O37 S21 C273 110.0 . . ?
O37 S21 C274 122.9 . . ?
C274 S21 C273 105.4 . . ?
S21 C273 H27A 109.5 . . ?
S21 C273 H27B 109.5 . . ?
S21 C273 H27C 109.5 . . ?
H27A C273 H27B 109.5 . . ?
H27A C273 H27C 109.5 . . ?
H27B C273 H27C 109.5 . . ?
S21 C274 H27D 109.5 . . ?
S21 C274 H27E 109.5 . . ?
S21 C274 H27F 109.5 . . ?
H27D C274 H27E 109.5 . . ?
H27D C274 H27F 109.5 . . ?
H27E C274 H27F 109.5 . . ?
H17G C175 H17H 109.5 . . ?
H17G C175 H17I 109.5 . . ?
H17H C175 H17I 109.5 . . ?
O38 C175 H17G 109.5 . . ?
O38 C175 H17H 109.5 . . ?
O38 C175 H17I 109.5 . . ?
Ba1 O38 H38A 112.0 . . ?
C175 O38 Ba1 138.6 . . ?
C175 O38 H38A 109.4 . . ?
Ba1 O39 H39A 110.1 . . ?
Ba1 O39 H39B 110.1 . . ?
H39A O39 H39B 108.8 . . ?
C176 O40 Ba2 129.9 . . ?
C177 O41 Ba2 127.4 . . ?
C178 O42 Ba2 125.1 . . ?
C278 O42' Ba2 145.3 . . ?
H17J C179 H17K 109.5 . . ?
H17J C179 H17L 109.5 . . ?
H17K C179 H17L 109.5 . . ?
O44 C179 H17J 109.5 . . ?
O44 C179 H17K 109.5 . . ?
O44 C179 H17L 109.5 . . ?
C179 O44 H44A 109.5 . . ?

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
N14 H14 O7 0.88 2.02 2.873(5) 161.4 6_576
N15 H15 O10 0.88 2.08 2.929(6) 162.2 .
N15 H15 O10' 0.88 1.82 2.642(6) 155.1 .
N22 H22 O44 0.88 1.98 2.809(6) 155.8 .
O38 H38A O18 0.84 1.86 2.618 148.7 .
O39 H39B O13 0.89 2.15 2.867 136.9 1_565
O44 H44A O12 0.84 1.95 2.664 142.1 .
O44 H44A O12' 0.84 2.42 3.154 145.7 .

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
Ba1 O2 C57 N15 -68.4(15) . . . . ?
Ba1 O2 C57 C60 113.5(13) . . . . ?
Ba1 O4 C77 N19 -72.2(11) . . . . ?
Ba1 O4 C77 C80 106.3(10) . . . . ?
Ba1 O6 C97 N23 -59.1(11) . . . . ?
Ba1 O6 C97 C100 126.1(9) . . . . ?
Ba1 O19 S5 O20 12.6 . . . . ?
Ba1 O19 S5 O21 -127.5 . . . . ?
Ba1 O19 S5 C167 120.7 . . . . ?
Ba1 O20 S5 O19 -12.4 . . . . ?
Ba1 O20 S5 O21 132.5 . . . . ?
Ba1 O20 S5 C167 -117.4 . . . . ?
Ba1 S5 C167 F13 6.1 . . . . ?
Ba1 S5 C167 F14 120.8 . . . . ?
Ba1 S5 C167 F15 -125.5 . . . . ?
Ba1 O37 S11 C173 108.3 . . . . ?
Ba1 O37 S11 C174 -141.3 . . . . ?
Ba2 O1 C48 N14 -68.5(9) . . . . ?
Ba2 O1 C48 C45 114.1(8) . . . . ?
Ba2 O3 C68 N18 -59.2(16) . . . . ?
Ba2 O3 C68 C65 119.5(14) . . . . ?
Ba2 O5 C88 N22 -79.7(13) . . . . ?
Ba2 O5 C88 C85 100.2(12) . . . . ?
Rh1 N1 C1 N4 -180.0(3) . . . . ?
Rh1 N1 C1 C2 -8.3(3) . . . . ?
Rh1 N1 C14 C9 178.8(5) . . . . ?
Rh1 N1 C14 C13 4.6(7) . . . . ?
Rh1 N2 C2 N3 -176.3(3) . . . . ?
Rh1 N2 C2 C1 12.7(3) . . . . ?
Rh1 N2 C3 C4 -6.6(7) . . . . ?
Rh1 N2 C3 C8 174.9(5) . . . . ?
Rh1 N24 C98 C99 176.78(15) . . . . ?
Rh1 N24 C102 C101 -176.09(16) . . . . ?
Rh1 C103 C104 C105 62.6(8) . . . . ?
Rh1 C103 C104 C109 -126.0(16) . . . . ?
Rh1 C103 C107 C106 -62.4(9) . . . . ?
Rh1 C103 C107 C112 120.3(17) . . . . ?
Rh1 C104 C105 C106 57.0(10) . . . . ?
Rh1 C104 C105 C110 -118.1(12) . . . . ?
Rh1 C105 C106 C107 61.3(8) . . . . ?
Rh1 C105 C106 C111 -124.7(15) . . . . ?
Rh1 C106 C107 C103 63.4(9) . . . . ?
Rh1 C106 C107 C112 -119.6(18) . . . . ?
Rh1 C203 C204 C205 60.3 . . . . ?
Rh1 C203 C204 C209 -119.8 . . . . ?
Rh1 C203 C207 C206 -56.7 . . . . ?
Rh1 C203 C207 C212 123.3 . . . . ?
Rh1 C204 C205 C206 65.8 . . . . ?
Rh1 C204 C205 C210 -114.1 . . . . ?
Rh1 C205 C206 C207 65.4 . . . . ?
Rh1 C205 C206 C211 -114.6 . . . . ?
Rh1 C206 C207 C203 59.6 . . . . ?
Rh1 C206 C207 C212 -120.4 . . . . ?
Rh2 N3 C2 N2 -177.5(3) . . . . ?
Rh2 N3 C2 C1 -6.4(3) . . . . ?
Rh2 N3 C8 C3 173.7(5) . . . . ?
Rh2 N3 C8 C7 -3.6(7) . . . . ?
Rh2 N4 C1 N1 -178.5(3) . . . . ?
Rh2 N4 C1 C2 10.0(3) . . . . ?
Rh2 N4 C9 C10 -4.8(8) . . . . ?
Rh2 N4 C9 C14 178.1(5) . . . . ?
Rh2 N13 C43 C44 -176.68(17) . . . . ?
Rh2 N13 C47 C46 179.12(14) . . . . ?
Rh2 C113 C114 C115 62.1 . . . . ?
Rh2 C113 C114 C119 -119.7 . . . . ?
Rh2 C113 C117 C116 -59.7 . . . . ?
Rh2 C113 C117 C122 114.8 . . . . ?
Rh2 C114 C115 C116 59.6 . . . . ?
Rh2 C114 C115 C120 -120.6 . . . . ?
Rh2 C115 C116 C117 63.1 . . . . ?
Rh2 C115 C116 C121 -120.2 . . . . ?
Rh2 C116 C117 C113 58.6 . . . . ?
Rh2 C116 C117 C122 -117.4 . . . . ?
Rh3 N5 C15 N8 -179.3(3) . . . . ?
Rh3 N5 C15 C16 8.9(4) . . . . ?
Rh3 N5 C28 C23 176.6(6) . . . . ?
Rh3 N5 C28 C27 -5.1(10) . . . . ?
Rh3 N6 C16 N7 -176.7(3) . . . . ?
Rh3 N6 C16 C15 -6.1(5) . . . . ?
Rh3 N6 C17 C18 -0.5(10) . . . . ?
Rh3 N6 C17 C22 174.3(6) . . . . ?
Rh3 N16 C58 C59 175.18(14) . . . . ?
Rh3 N16 C62 C61 -177.19(19) . . . . ?
Rh3 C123 C124 C125 60.4 . . . . ?
Rh3 C123 C124 C129 -120.5 . . . . ?
Rh3 C123 C127 C126 -65.0 . . . . ?
Rh3 C123 C127 C132 117.4 . . . . ?
Rh3 C124 C125 C126 63.4 . . . . ?
Rh3 C124 C125 C130 -117.3 . . . . ?
Rh3 C125 C126 C127 58.1 . . . . ?
Rh3 C125 C126 C131 -118.5 . . . . ?
Rh3 C126 C127 C123 63.6 . . . . ?
Rh3 C126 C127 C132 -119.1 . . . . ?
Rh4 N7 C16 N6 -176.7(4) . . . . ?
Rh4 N7 C16 C15 12.4(4) . . . . ?
Rh4 N7 C22 C17 172.6(6) . . . . ?
Rh4 N7 C22 C21 -11.2(9) . . . . ?
Rh4 N8 C15 N5 -179.9(3) . . . . ?
Rh4 N8 C15 C16 -8.4(4) . . . . ?
Rh4 N8 C23 C24 5.5(9) . . . . ?
Rh4 N8 C23 C28 -177.7(6) . . . . ?
Rh4 N17 C63 C64 -175.33(18) . . . . ?
Rh4 N17 C67 C66 177.08(18) . . . . ?
Rh4 C133 C134 C135 57.2 . . . . ?
Rh4 C133 C134 C139 -122.8 . . . . ?
Rh4 C133 C137 C136 -58.4 . . . . ?
Rh4 C133 C137 C142 121.7 . . . . ?
Rh4 C134 C135 C136 61.7 . . . . ?
Rh4 C134 C135 C140 -118.4 . . . . ?
Rh4 C135 C136 C137 65.7 . . . . ?
Rh4 C135 C136 C141 -114.2 . . . . ?
Rh4 C136 C137 C133 63.6 . . . . ?
Rh4 C136 C137 C142 -116.5 . . . . ?
Rh4 C233 C234 C235 62.2 . . . . ?
Rh4 C233 C234 C239 -117.9 . . . . ?
Rh4 C233 C237 C236 -67.7 . . . . ?
Rh4 C233 C237 C242 112.2 . . . . ?
Rh4 C234 C235 C236 56.4 . . . . ?
Rh4 C234 C235 C240 -123.5 . . . . ?
Rh4 C235 C236 C237 57.9 . . . . ?
Rh4 C235 C236 C241 -122.0 . . . . ?
Rh4 C236 C237 C233 64.8 . . . . ?
Rh4 C236 C237 C242 -115.1 . . . . ?
Rh5 N9 C30 N12 -176.4(3) . . . . ?
Rh5 N9 C30 C29 -9.8(3) . . . . ?
Rh5 N9 C36 C31 174.3(5) . . . . ?
Rh5 N9 C36 C35 -0.2(8) . . . . ?
Rh5 N10 C29 N11 -177.8(3) . . . . ?
Rh5 N10 C29 C30 15.4(4) . . . . ?
Rh5 N10 C37 C38 -10.3(8) . . . . ?
Rh5 N10 C37 C42 176.2(5) . . . . ?
Rh5 N20 C78 C79 179.27(16) . . . . ?
Rh5 N20 C82 C81 -178.40(15) . . . . ?
Rh5 C143 C144 C145 59.8 . . . . ?
Rh5 C143 C144 C149 -123.9 . . . . ?
Rh5 C143 C147 C146 -61.5 . . . . ?
Rh5 C143 C147 C152 118.2 . . . . ?
Rh5 C144 C145 C146 62.7 . . . . ?
Rh5 C144 C145 C150 -120.7 . . . . ?
Rh5 C145 C146 C147 61.2 . . . . ?
Rh5 C145 C146 C151 -119.8 . . . . ?
Rh5 C146 C147 C143 60.9 . . . . ?
Rh5 C146 C147 C152 -118.8 . . . . ?
Rh6 N11 C29 N10 -173.9(3) . . . . ?
Rh6 N11 C29 C30 -7.3(4) . . . . ?
Rh6 N11 C42 C37 170.5(5) . . . . ?
Rh6 N11 C42 C41 -9.3(8) . . . . ?
Rh6 N12 C30 N9 179.6(3) . . . . ?
Rh6 N12 C30 C29 12.6(3) . . . . ?
Rh6 N12 C31 C32 -5.6(8) . . . . ?
Rh6 N12 C31 C36 180(100) . . . . ?
Rh6 N21 C83 C84 -178.26(18) . . . . ?
Rh6 N21 C87 C86 177.08(15) . . . . ?
Rh6 C153 C154 C155 60.6 . . . . ?
Rh6 C153 C154 C159 -121.9 . . . . ?
Rh6 C153 C157 C156 -60.2 . . . . ?
Rh6 C153 C157 C162 118.3 . . . . ?
Rh6 C154 C155 C156 62.5 . . . . ?
Rh6 C154 C155 C160 -121.2 . . . . ?
Rh6 C155 C156 C157 60.8 . . . . ?
Rh6 C155 C156 C161 -119.6 . . . . ?
Rh6 C156 C157 C153 59.6 . . . . ?
Rh6 C156 C157 C162 -118.7 . . . . ?
N1 C1 C2 N2 -3.1(3) . . . . ?
N1 C1 C2 N3 -174.0(4) . . . . ?
N2 C3 C4 C5 -179.9(3) . . . . ?
N2 C3 C8 N3 1.2(3) . . . . ?
N2 C3 C8 C7 178.9(2) . . . . ?
N4 C1 C2 N2 168.2(4) . . . . ?
N4 C1 C2 N3 -2.8(4) . . . . ?
N4 C9 C10 C11 -176.5(3) . . . . ?
N4 C9 C14 N1 0.8(3) . . . . ?
N4 C9 C14 C13 175.6(2) . . . . ?
N5 C15 C16 N6 -2.1(5) . . . . ?
N5 C15 C16 N7 168.6(4) . . . . ?
N6 C17 C18 C19 173.9(4) . . . . ?
N6 C17 C22 N7 3.1(4) . . . . ?
N6 C17 C22 C21 -173.7(3) . . . . ?
N8 C15 C16 N6 -173.5(5) . . . . ?
N8 C15 C16 N7 -2.8(4) . . . . ?
N8 C23 C24 C25 -178.6(3) . . . . ?
N8 C23 C28 N5 -0.7(4) . . . . ?
N8 C23 C28 C27 -179.2(3) . . . . ?
N10 C29 C30 N9 -4.1(4) . . . . ?
N10 C29 C30 N12 162.5(4) . . . . ?
N10 C37 C38 C39 -174.5(3) . . . . ?
N10 C37 C42 N11 -1.9(3) . . . . ?
N10 C37 C42 C41 178.0(2) . . . . ?
N11 C29 C30 N9 -170.3(4) . . . . ?
N11 C29 C30 N12 -3.7(4) . . . . ?
N12 C31 C32 C33 -173.7(3) . . . . ?
N12 C31 C36 N9 0.6(3) . . . . ?
N12 C31 C36 C35 175.9(2) . . . . ?
N13 C43 C44 C45 -3.2(3) . . . . ?
N14 C49 C50 C51 -130.1(2) . . . . ?
N14 C49 C50 C55 51.3(2) . . . . ?
N15 C57 C60 C59 152.5(3) . . . . ?
N15 C57 C60 C61 -26.4(3) . . . . ?
N16 C58 C59 C60 4.5(3) . . . . ?
N17 C63 C64 C65 -1.7(3) . . . . ?
N18 C69 C70 C71 52.5(2) . . . . ?
N18 C69 C70 C75 -129.0(2) . . . . ?
N19 C77 C80 C79 154.3(2) . . . . ?
N19 C77 C80 C81 -33.1(2) . . . . ?
N20 C78 C79 C80 -0.9(3) . . . . ?
N21 C83 C84 C85 2.7(3) . . . . ?
N22 C89 C90 C91 -126.7(3) . . . . ?
N22 C89 C90 C95 56.9(3) . . . . ?
N23 C97 C100 C99 151.9(3) . . . . ?
N23 C97 C100 C101 -28.8(3) . . . . ?
N24 C98 C99 C100 1.4(3) . . . . ?
O2 C57 C60 C59 -29.3(3) . . . . ?
O2 C57 C60 C61 151.8(3) . . . . ?
O4 C77 C80 C79 -24.3(3) . . . . ?
O4 C77 C80 C81 148.4(3) . . . . ?
O6 C97 C100 C99 -32.9(2) . . . . ?
O6 C97 C100 C101 146.4(2) . . . . ?
C103 C104 C105 Rh1 -61.5(9) . . . . ?
C103 C104 C105 C106 -4.5(15) . . . . ?
C103 C104 C105 C110 -180(100) . . . . ?
C104 C103 C107 Rh1 60.9(11) . . . . ?
C104 C103 C107 C106 -1.5(17) . . . . ?
C104 C103 C107 C112 -178.8(16) . . . . ?
C104 C105 C106 Rh1 -57.8(9) . . . . ?
C104 C105 C106 C107 3.5(15) . . . . ?
C104 C105 C106 C111 177.5(12) . . . . ?
C105 C106 C107 Rh1 -64.6(9) . . . . ?
C105 C106 C107 C103 -1.2(15) . . . . ?
C105 C106 C107 C112 175.9(17) . . . . ?
C107 C103 C104 Rh1 -59.0(11) . . . . ?
C107 C103 C104 C105 3.6(16) . . . . ?
C107 C103 C104 C109 175.0(15) . . . . ?
C108 C103 C104 Rh1 120.9(14) . . . . ?
C108 C103 C104 C105 -176.5(13) . . . . ?
C108 C103 C104 C109 -5(2) . . . . ?
C108 C103 C107 Rh1 -119.0(16) . . . . ?
C108 C103 C107 C106 178.6(15) . . . . ?
C108 C103 C107 C112 1(3) . . . . ?
C109 C104 C105 Rh1 126.3(14) . . . . ?
C109 C104 C105 C106 -176.7(13) . . . . ?
C109 C104 C105 C110 8(2) . . . . ?
C110 C105 C106 Rh1 117.8(10) . . . . ?
C110 C105 C106 C107 179.2(10) . . . . ?
C110 C105 C106 C111 -7(2) . . . . ?
C111 C106 C107 Rh1 121.9(15) . . . . ?
C111 C106 C107 C103 -174.7(14) . . . . ?
C111 C106 C107 C112 2(3) . . . . ?
C203 C204 C205 Rh1 -65.9 . . . . ?
C203 C204 C205 C206 0.0 . . . . ?
C203 C204 C205 C210 -180(20) . . . . ?
C204 C203 C207 Rh1 56.7 . . . . ?
C204 C203 C207 C206 0.0 . . . . ?
C204 C203 C207 C212 -180(22) . . . . ?
C204 C205 C206 Rh1 -65.4 . . . . ?
C204 C205 C206 C207 0.0 . . . . ?
C204 C205 C206 C211 180(22) . . . . ?
C205 C206 C207 Rh1 -59.6 . . . . ?
C205 C206 C207 C203 0.0 . . . . ?
C205 C206 C207 C212 180(22) . . . . ?
C207 C203 C204 Rh1 -60.2 . . . . ?
C207 C203 C204 C205 0.0 . . . . ?
C207 C203 C204 C209 -180(20) . . . . ?
C208 C203 C204 Rh1 119.8 . . . . ?
C208 C203 C204 C205 -180(22) . . . . ?
C208 C203 C204 C209 0.0 . . . . ?
C208 C203 C207 Rh1 -123.3 . . . . ?
C208 C203 C207 C206 180(22) . . . . ?
C208 C203 C207 C212 0.0 . . . . ?
C209 C204 C205 Rh1 114.2 . . . . ?
C209 C204 C205 C206 180(20) . . . . ?
C209 C204 C205 C210 0.0 . . . . ?
C210 C205 C206 Rh1 114.5 . . . . ?
C210 C205 C206 C207 180(20) . . . . ?
C210 C205 C206 C211 -0.1 . . . . ?
C211 C206 C207 Rh1 120.4 . . . . ?
C211 C206 C207 C203 -180(22) . . . . ?
C211 C206 C207 C212 0.0 . . . . ?
C133 C134 C135 Rh4 -61.7 . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C133 C134 C135 C140 179.9 . . . . ?
C134 C133 C137 Rh4 58.3 . . . . ?
C134 C133 C137 C136 -0.1 . . . . ?
C134 C133 C137 C142 180.0 . . . . ?
C134 C135 C136 Rh4 -65.8 . . . . ?
C134 C135 C136 C137 -0.1 . . . . ?
C134 C135 C136 C141 180.0 . . . . ?
C135 C136 C137 Rh4 -63.5 . . . . ?
C135 C136 C137 C133 0.1 . . . . ?
C135 C136 C137 C142 -180.0 . . . . ?
C137 C133 C134 Rh4 -57.2 . . . . ?
C137 C133 C134 C135 0.1 . . . . ?
C137 C133 C134 C139 180.0 . . . . ?
C138 C133 C134 Rh4 122.7 . . . . ?
C138 C133 C134 C135 179.9 . . . . ?
C138 C133 C134 C139 -0.1 . . . . ?
C138 C133 C137 Rh4 -121.6 . . . . ?
C138 C133 C137 C136 -180.0 . . . . ?
C138 C133 C137 C142 0.1 . . . . ?
C139 C134 C135 Rh4 118.4 . . . . ?
C139 C134 C135 C136 -179.9 . . . . ?
C139 C134 C135 C140 0.0 . . . . ?
C140 C135 C136 Rh4 114.3 . . . . ?
C140 C135 C136 C137 180.0 . . . . ?
C140 C135 C136 C141 0.0 . . . . ?
C141 C136 C137 Rh4 116.5 . . . . ?
C141 C136 C137 C133 -179.9 . . . . ?
C141 C136 C137 C142 0.0 . . . . ?
C233 C234 C235 Rh4 -56.5 . . . . ?
C233 C234 C235 C236 -0.1 . . . . ?
C233 C234 C235 C240 180.0 . . . . ?
C234 C233 C237 Rh4 67.7 . . . . ?
C234 C233 C237 C236 0.0 . . . . ?
C234 C233 C237 C242 179.9 . . . . ?
C234 C235 C236 Rh4 -57.9 . . . . ?
C234 C235 C236 C237 0.1 . . . . ?
C234 C235 C236 C241 -179.9 . . . . ?
C235 C236 C237 Rh4 -64.8 . . . . ?
C235 C236 C237 C233 0.0 . . . . ?
C235 C236 C237 C242 -179.9 . . . . ?
C237 C233 C234 Rh4 -62.1 . . . . ?
C237 C233 C234 C235 0.1 . . . . ?
C237 C233 C234 C239 180.0 . . . . ?
C238 C233 C234 Rh4 117.8 . . . . ?
C238 C233 C234 C235 180.0 . . . . ?
C238 C233 C234 C239 -0.2 . . . . ?
C238 C233 C237 Rh4 -112.2 . . . . ?
C238 C233 C237 C236 -179.9 . . . . ?
C238 C233 C237 C242 0.0 . . . . ?
C239 C234 C235 Rh4 123.6 . . . . ?
C239 C234 C235 C236 -180.0 . . . . ?
C239 C234 C235 C240 0.1 . . . . ?
C240 C235 C236 Rh4 122.1 . . . . ?
C240 C235 C236 C237 -180.0 . . . . ?
C240 C235 C236 C241 0.0 . . . . ?
C241 C236 C237 Rh4 115.2 . . . . ?
C241 C236 C237 C233 180.0 . . . . ?
C241 C236 C237 C242 0.0 . . . . ?
O10 S2 C164 F4 -57.7 . . . . ?
O10 S2 C164 F5 68.8 . . . . ?
O10 S2 C164 F6 -177.0 . . . . ?
O11 S2 C164 F4 65.1 . . . . ?
O11 S2 C164 F5 -168.4 . . . . ?
O11 S2 C164 F6 -54.2 . . . . ?
O12 S2 C164 F4 -172.4 . . . . ?
O12 S2 C164 F5 -45.9 . . . . ?
O12 S2 C164 F6 68.2 . . . . ?
O13' S3' C265 F7' -59.5 . . . . ?
O13' S3' C265 F8' 148.5 . . . . ?
O13' S3' C265 F9' 43.7 . . . . ?
O14' S3' C265 F7' -167.6 . . . . ?
O14' S3' C265 F8' 40.4 . . . . ?
O14' S3' C265 F9' -64.4 . . . . ?
O15' S3' C265 F7' 77.5 . . . . ?
O15' S3' C265 F8' -74.4 . . . . ?
O15' S3' C265 F9' -179.3 . . . . ?
O22 S6 C168 F16 52.4 . . . . ?
O22 S6 C168 F17 -179.9 . . . . ?
O22 S6 C168 F18 -61.8 . . . . ?
O23 S6 O22 Ba2 -20.8 . . . . ?
O23 S6 C168 F16 162.3 . . . . ?
O23 S6 C168 F17 -70.0 . . . . ?
O23 S6 C168 F18 48.1 . . . . ?
O24 S6 O22 Ba2 -125.00(5) . . . . ?
O24 S6 C168 F16 -95.4 . . . . ?
O24 S6 C168 F17 32.3 . . . . ?
O24 S6 C168 F18 150.4 . . . . ?
C168 S6 O22 Ba2 91.2 . . . . ?
O22' S6' C268 F16' -57.7 . . . . ?
O22' S6' C268 F17' 66.1 . . . . ?
O22' S6' C268 F18' -161.8 . . . . ?
O23' S6' O22' Ba2 -69.1 . . . . ?
O23' S6' C268 F16' 175.4 . . . . ?
O23' S6' C268 F17' -60.7 . . . . ?
O23' S6' C268 F18' 71.4 . . . . ?
O24' S6' O22' Ba2 65.3 . . . . ?
O24' S6' C268 F16' 41.2 . . . . ?
O24' S6' C268 F17' 165.0 . . . . ?
O24' S6' C268 F18' -62.9 . . . . ?
C268 S6' O22' Ba2 170.0 . . . . ?
O7 S1 C163 F1 -174.3 . . . . ?
O7 S1 C163 F2 -50.0 . . . . ?
O7 S1 C163 F3 66.9 . . . . ?
O8 S1 C163 F1 -56.8 . . . . ?
O8 S1 C163 F2 67.5 . . . . ?
O8 S1 C163 F3 -175.7 . . . . ?
O9 S1 C163 F1 64.4 . . . . ?
O9 S1 C163 F2 -171.3 . . . . ?
O9 S1 C163 F3 -54.5 . . . . ?
O16 S4 C166 F10 62.6 . . . . ?
O16 S4 C166 F11 175.2 . . . . ?
O16 S4 C166 F12 -73.5 . . . . ?
O17 S4 C166 F10 -176.6 . . . . ?
O17 S4 C166 F11 -64.0 . . . . ?
O17 S4 C166 F12 47.3 . . . . ?
O18 S4 C166 F10 -49.5 . . . . ?
O18 S4 C166 F11 63.1 . . . . ?
O18 S4 C166 F12 174.4 . . . . ?
O19 S5 C167 F13 -46.5 . . . . ?
O19 S5 C167 F14 68.2 . . . . ?
O19 S5 C167 F15 -178.2 . . . . ?
O20 S5 C167 F13 62.4 . . . . ?
O20 S5 C167 F14 177.2 . . . . ?
O20 S5 C167 F15 -69.2 . . . . ?
O21 S5 C167 F13 -176.9 . . . . ?
O21 S5 C167 F14 -62.2 . . . . ?
O21 S5 C167 F15 51.4 . . . . ?
C1 N1 C14 C9 -0.2(3) . . . . ?
C1 N1 C14 C13 -174.46(10) . . . . ?
C1 N4 C9 C10 176.09(9) . . . . ?
C1 N4 C9 C14 -1.1(3) . . . . ?
C2 N2 C3 C4 176.76(9) . . . . ?
C2 N2 C3 C8 -1.7(3) . . . . ?
C2 N3 C8 C3 -0.2(3) . . . . ?
C2 N3 C8 C7 -177.46(9) . . . . ?
C3 N2 C2 N3 1.8(4) . . . . ?
C3 N2 C2 C1 -169.28(13) . . . . ?
C3 C4 C5 C6 1.8 . . . . ?
C4 C3 C8 N3 -177.4(2) . . . . ?
C4 C3 C8 C7 0.2 . . . . ?
C4 C5 C6 C7 -0.6 . . . . ?
C5 C6 C7 C8 -0.9 . . . . ?
C6 C7 C8 N3 178.0(3) . . . . ?
C6 C7 C8 C3 1.1 . . . . ?
C8 N3 C2 N2 -1.0(5) . . . . ?
C8 N3 C2 C1 170.07(14) . . . . ?
C8 C3 C4 C5 -1.6 . . . . ?
C9 N4 C1 N1 1.0(5) . . . . ?
C9 N4 C1 C2 -170.52(14) . . . . ?
C9 C10 C11 C12 0.9 . . . . ?
C10 C9 C14 N1 -176.7(2) . . . . ?
C10 C9 C14 C13 -1.9 . . . . ?
C10 C11 C12 C13 -0.6 . . . . ?
C11 C12 C13 C14 -0.9 . . . . ?
C12 C13 C14 N1 175.7(3) . . . . ?
C12 C13 C14 C9 2.2 . . . . ?
C14 N1 C1 N4 -0.5(4) . . . . ?
C14 N1 C1 C2 171.19(14) . . . . ?
C14 C9 C10 C11 0.3 . . . . ?
C15 N5 C28 C23 1.6(4) . . . . ?
C15 N5 C28 C27 179.87(10) . . . . ?
C15 N8 C23 C24 -177.37(13) . . . . ?
C15 N8 C23 C28 -0.5(4) . . . . ?
C16 N6 C17 C18 -177.53(11) . . . . ?
C16 N6 C17 C22 -2.7(4) . . . . ?
C16 N7 C22 C17 -2.0(4) . . . . ?
C16 N7 C22 C21 174.19(10) . . . . ?
C17 N6 C16 N7 1.6(6) . . . . ?
C17 N6 C16 C15 172.20(17) . . . . ?
C17 C18 C19 C20 1.3 . . . . ?
C18 C17 C22 N7 178.8(3) . . . . ?
C18 C17 C22 C21 2.0 . . . . ?
C18 C19 C20 C21 -3.9 . . . . ?
C19 C20 C21 C22 5.5 . . . . ?
C20 C21 C22 N7 179.5(3) . . . . ?
C20 C21 C22 C17 -4.7 . . . . ?
C22 N7 C16 N6 0.3(6) . . . . ?
C22 N7 C16 C15 -170.63(18) . . . . ?
C22 C17 C18 C19 -0.5 . . . . ?
C23 N8 C15 N5 1.8(6) . . . . ?
C23 N8 C15 C16 173.18(15) . . . . ?
C23 C24 C25 C26 -6.9 . . . . ?
C24 C23 C28 N5 176.3(3) . . . . ?
C24 C23 C28 C27 -2.2 . . . . ?
C24 C25 C26 C27 6.0 . . . . ?
C25 C26 C27 C28 -2.5 . . . . ?
C26 C27 C28 N5 -177.5(4) . . . . ?
C26 C27 C28 C23 0.6 . . . . ?
C28 N5 C15 N8 -2.2(6) . . . . ?
C28 N5 C15 C16 -173.93(19) . . . . ?
C28 C23 C24 C25 5.0 . . . . ?
C29 N10 C37 C38 175.15(10) . . . . ?
C29 N10 C37 C42 1.7(4) . . . . ?
C29 N11 C42 C37 1.3(4) . . . . ?
C29 N11 C42 C41 -178.57(12) . . . . ?
C30 N9 C36 C31 -0.9(3) . . . . ?
C30 N9 C36 C35 -175.37(9) . . . . ?
C30 N12 C31 C32 174.51(9) . . . . ?
C30 N12 C31 C36 -0.1(3) . . . . ?
C31 N12 C30 N9 -0.5(5) . . . . ?
C31 N12 C30 C29 -167.48(15) . . . . ?
C31 C32 C33 C34 -1.1 . . . . ?
C32 C31 C36 N9 -174.7(2) . . . . ?
C32 C31 C36 C35 0.5 . . . . ?
C32 C33 C34 C35 1.1 . . . . ?
C33 C34 C35 C36 -0.2 . . . . ?
C34 C35 C36 N9 173.5(3) . . . . ?
C34 C35 C36 C31 -0.5 . . . . ?
C36 N9 C30 N12 0.9(5) . . . . ?
C36 N9 C30 C29 167.54(14) . . . . ?
C36 C31 C32 C33 0.2 . . . . ?
C37 N10 C29 N11 -0.9(5) . . . . ?
C37 N10 C29 C30 -167.69(16) . . . . ?
C37 C38 C39 C40 -0.5 . . . . ?
C38 C37 C42 N11 -176.2(3) . . . . ?
C38 C37 C42 C41 3.7 . . . . ?
C38 C39 C40 C41 0.9 . . . . ?
C39 C40 C41 C42 0.9 . . . . ?
C40 C41 C42 N11 176.7(3) . . . . ?
C40 C41 C42 C37 -3.2 . . . . ?
C42 N11 C29 N10 -0.3(5) . . . . ?
C42 N11 C29 C30 166.33(18) . . . . ?
C42 C37 C38 C39 -1.7 . . . . ?
C43 N13 C47 C46 0.4(5) . . . . ?
C43 C44 C45 C46 2.1 . . . . ?
C43 C44 C45 C48 -175.1 . . . . ?
C44 C45 C46 C47 0.1 . . . . ?
C44 C45 C48 N14 -28.6(3) . . . . ?
C44 C45 C48 O1 149.0(2) . . . . ?
C45 C46 C47 N13 -1.4(3) . . . . ?
C46 C45 C48 N14 154.2(3) . . . . ?
C46 C45 C48 O1 -28.2(2) . . . . ?
C47 N13 C43 C44 2.0(5) . . . . ?
C48 N14 C49 C50 -96.6(4) . . . . ?
C48 C45 C46 C47 177.4 . . . . ?
C49 N14 C48 O1 1.6(6) . . . . ?
C49 N14 C48 C45 178.9(3) . . . . ?
C49 C50 C51 C52 -179.4 . . . . ?
C49 C50 C55 C54 179.7 . . . . ?
C50 C51 C52 C53 1.0 . . . . ?
C51 C50 C55 C54 1.1 . . . . ?
C51 C52 C53 C54 -1.5 . . . . ?
C51 C52 C53 C56 -178.2 . . . . ?
C52 C53 C54 C55 1.8 . . . . ?
C52 C53 C56 N15 -131.4(2) . . . . ?
C53 C54 C55 C50 -1.7 . . . . ?
C54 C53 C56 N15 52.0(2) . . . . ?
C55 C50 C51 C52 -0.7 . . . . ?
C56 N15 C57 O2 -0.9(6) . . . . ?
C56 N15 C57 C60 177.3(3) . . . . ?
C56 C53 C54 C55 178.5 . . . . ?
C57 N15 C56 C53 -96.5(4) . . . . ?
C57 C60 C61 C62 -179.0 . . . . ?
C58 N16 C62 C61 0.6(6) . . . . ?
C58 C59 C60 C57 177.0 . . . . ?
C58 C59 C60 C61 -4.1 . . . . ?
C59 C60 C61 C62 2.1 . . . . ?
C60 C61 C62 N16 -0.3(3) . . . . ?
C62 N16 C58 C59 -2.7(6) . . . . ?
C63 N17 C67 C66 0.1(6) . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C63 C64 C65 C68 -176.0 . . . . ?
C64 C65 C66 C67 1.6 . . . . ?
C64 C65 C68 N18 -32.0(2) . . . . ?
C64 C65 C68 O3 149.2(3) . . . . ?
C65 C66 C67 N17 -1.7(3) . . . . ?
C66 C65 C68 N18 152.0(2) . . . . ?
C66 C65 C68 O3 -26.8(3) . . . . ?
C67 N17 C63 C64 1.7(6) . . . . ?
C68 N18 C69 C70 -95.7(4) . . . . ?
C68 C65 C66 C67 177.7 . . . . ?
C69 N18 C68 O3 -5.8(6) . . . . ?
C69 N18 C68 C65 175.5(3) . . . . ?
C69 C70 C71 C72 -178.5 . . . . ?
C69 C70 C75 C74 -179.1 . . . . ?
C70 C71 C72 C73 -3.1 . . . . ?
C71 C70 C75 C74 -0.5 . . . . ?
C71 C72 C73 C74 0.9 . . . . ?
C71 C72 C73 C76 -179.5 . . . . ?
C72 C73 C74 C75 1.4 . . . . ?
C72 C73 C76 N19 54.0(2) . . . . ?
C73 C74 C75 C70 -1.6 . . . . ?
C74 C73 C76 N19 -126.4(2) . . . . ?
C75 C70 C71 C72 2.9 . . . . ?
C76 N19 C77 O4 -4.0(6) . . . . ?
C76 N19 C77 C80 177.5(2) . . . . ?
C76 C73 C74 C75 -178.2 . . . . ?
C77 N19 C76 C73 -95.7(4) . . . . ?
C77 C80 C81 C82 -173.6 . . . . ?
C78 N20 C82 C81 1.6(5) . . . . ?
C78 C79 C80 C77 174.6 . . . . ?
C78 C79 C80 C81 1.7 . . . . ?
C79 C80 C81 C82 -0.9 . . . . ?
C80 C81 C82 N20 -0.8(3) . . . . ?
C82 N20 C78 C79 -0.8(5) . . . . ?
C83 N21 C87 C86 2.6(5) . . . . ?
C83 C84 C85 C86 0.2 . . . . ?
C83 C84 C85 C88 -177.4 . . . . ?
C84 C85 C86 C87 -1.5 . . . . ?
C84 C85 C88 N22 -27.3(3) . . . . ?
C84 C85 C88 O5 152.8(3) . . . . ?
C85 C86 C87 N21 0.1(3) . . . . ?
C86 C85 C88 N22 155.2(3) . . . . ?
C86 C85 C88 O5 -24.8(3) . . . . ?
C87 N21 C83 C84 -4.0(5) . . . . ?
C88 N22 C89 C90 -99.2(4) . . . . ?
C88 C85 C86 C87 176.2 . . . . ?
C89 N22 C88 O5 -1.2(6) . . . . ?
C89 N22 C88 C85 178.8(3) . . . . ?
C89 C90 C91 C92 -177.7 . . . . ?
C89 C90 C95 C94 179.2 . . . . ?
C90 C91 C92 C93 0.2 . . . . ?
C91 C90 C95 C94 2.7 . . . . ?
C91 C92 C93 C94 -0.4 . . . . ?
C91 C92 C93 C96 -179.6 . . . . ?
C92 C93 C94 C95 1.8 . . . . ?
C92 C93 C96 N23 -129.6(2) . . . . ?
C93 C94 C95 C90 -2.9 . . . . ?
C94 C93 C96 N23 51.1(2) . . . . ?
C95 C90 C91 C92 -1.4 . . . . ?
C96 N23 C97 O6 1.5(7) . . . . ?
C96 N23 C97 C100 176.4(3) . . . . ?
C96 C93 C94 C95 -179.0 . . . . ?
C97 N23 C96 C93 -98.3(5) . . . . ?
C97 C100 C101 C102 -176.7 . . . . ?
C98 N24 C102 C101 2.1(5) . . . . ?
C98 C99 C100 C97 177.4 . . . . ?
C98 C99 C100 C101 -2.0 . . . . ?
C99 C100 C101 C102 2.6 . . . . ?
C100 C101 C102 N24 -2.7(3) . . . . ?
C102 N24 C98 C99 -1.4(5) . . . . ?
C113 C114 C115 Rh2 -60.6 . . . . ?
C113 C114 C115 C116 -1.1 . . . . ?
C113 C114 C115 C120 178.8 . . . . ?
C114 C113 C117 Rh2 63.3 . . . . ?
C114 C113 C117 C116 3.6 . . . . ?
C114 C113 C117 C122 178.2 . . . . ?
C114 C115 C116 Rh2 -59.8 . . . . ?
C114 C115 C116 C117 3.3 . . . . ?
C114 C115 C116 C121 180.0 . . . . ?
C115 C116 C117 Rh2 -62.8 . . . . ?
C115 C116 C117 C113 -4.1 . . . . ?
C115 C116 C117 C122 179.9 . . . . ?
C117 C113 C114 Rh2 -63.7 . . . . ?
C117 C113 C114 C115 -1.6 . . . . ?
C117 C113 C114 C119 176.6 . . . . ?
C118 C113 C114 Rh2 129.0 . . . . ?
C118 C113 C114 C115 -169.0 . . . . ?
C118 C113 C114 C119 9.2 . . . . ?
C118 C113 C117 Rh2 -127.2 . . . . ?
C118 C113 C117 C116 173.1 . . . . ?
C118 C113 C117 C122 -12.4 . . . . ?
C119 C114 C115 Rh2 121.2 . . . . ?
C119 C114 C115 C116 -179.2 . . . . ?
C119 C114 C115 C120 0.6 . . . . ?
C120 C115 C116 Rh2 120.4 . . . . ?
C120 C115 C116 C117 -176.6 . . . . ?
C120 C115 C116 C121 0.1 . . . . ?
C121 C116 C117 Rh2 121.6 . . . . ?
C121 C116 C117 C113 -179.8 . . . . ?
C121 C116 C117 C122 4.2 . . . . ?
C123 C124 C125 Rh3 -60.0 . . . . ?
C123 C124 C125 C126 3.4 . . . . ?
C123 C124 C125 C130 -177.3 . . . . ?
C124 C123 C127 Rh3 62.4 . . . . ?
C124 C123 C127 C126 -2.6 . . . . ?
C124 C123 C127 C132 179.8 . . . . ?
C124 C125 C126 Rh3 -63.2 . . . . ?
C124 C125 C126 C127 -5.1 . . . . ?
C124 C125 C126 C131 178.3 . . . . ?
C125 C126 C127 Rh3 -58.9 . . . . ?
C125 C126 C127 C123 4.7 . . . . ?
C125 C126 C127 C132 -178.0 . . . . ?
C127 C123 C124 Rh3 -60.9 . . . . ?
C127 C123 C124 C125 -0.5 . . . . ?
C127 C123 C124 C129 178.6 . . . . ?
C128 C123 C124 Rh3 124.7 . . . . ?
C128 C123 C124 C125 -175.0 . . . . ?
C128 C123 C124 C129 4.2 . . . . ?
C128 C123 C127 Rh3 -124.2 . . . . ?
C128 C123 C127 C126 170.7 . . . . ?
C128 C123 C127 C132 -6.8 . . . . ?
C129 C124 C125 Rh3 120.8 . . . . ?
C129 C124 C125 C126 -175.8 . . . . ?
C129 C124 C125 C130 3.5 . . . . ?
C130 C125 C126 Rh3 117.4 . . . . ?
C130 C125 C126 C127 175.5 . . . . ?
C130 C125 C126 C131 -1.2 . . . . ?
C131 C126 C127 Rh3 117.9 . . . . ?
C131 C126 C127 C123 -178.5 . . . . ?
C131 C126 C127 C132 -1.2 . . . . ?
C143 C144 C145 Rh5 -60.3 . . . . ?
C143 C144 C145 C146 2.4 . . . . ?
C143 C144 C145 C150 179.0 . . . . ?
C144 C143 C147 Rh5 62.4 . . . . ?
C144 C143 C147 C146 0.9 . . . . ?
C144 C143 C147 C152 -179.4 . . . . ?
C144 C145 C146 Rh5 -63.1 . . . . ?
C144 C145 C146 C147 -2.0 . . . . ?
C144 C145 C146 C151 177.1 . . . . ?
C145 C146 C147 Rh5 -60.3 . . . . ?
C145 C146 C147 C143 0.7 . . . . ?
C145 C146 C147 C152 -179.1 . . . . ?
C147 C143 C144 Rh5 -61.8 . . . . ?
C147 C143 C144 C145 -2.0 . . . . ?
C147 C143 C144 C149 174.3 . . . . ?
C148 C143 C144 Rh5 120.2 . . . . ?
C148 C143 C144 C145 180.0 . . . . ?
C148 C143 C144 C149 -3.7 . . . . ?
C148 C143 C147 Rh5 -119.7 . . . . ?
C148 C143 C147 C146 178.8 . . . . ?
C148 C143 C147 C152 -1.4 . . . . ?
C149 C144 C145 Rh5 123.4 . . . . ?
C149 C144 C145 C146 -173.8 . . . . ?
C149 C144 C145 C150 2.7 . . . . ?
C150 C145 C146 Rh5 120.2 . . . . ?
C150 C145 C146 C147 -178.7 . . . . ?
C150 C145 C146 C151 0.4 . . . . ?
C151 C146 C147 Rh5 120.7 . . . . ?
C151 C146 C147 C143 -178.3 . . . . ?
C151 C146 C147 C152 1.9 . . . . ?
C153 C154 C155 Rh6 -61.1 . . . . ?
C153 C154 C155 C156 1.4 . . . . ?
C153 C154 C155 C160 177.7 . . . . ?
C154 C153 C157 Rh6 61.1 . . . . ?
C154 C153 C157 C156 0.9 . . . . ?
C154 C153 C157 C162 179.4 . . . . ?
C154 C155 C156 Rh6 -61.6 . . . . ?
C154 C155 C156 C157 -0.8 . . . . ?
C154 C155 C156 C161 178.8 . . . . ?
C155 C156 C157 Rh6 -59.7 . . . . ?
C155 C156 C157 C153 -0.1 . . . . ?
C155 C156 C157 C162 -178.4 . . . . ?
C157 C153 C154 Rh6 -62.0 . . . . ?
C157 C153 C154 C155 -1.4 . . . . ?
C157 C153 C154 C159 176.1 . . . . ?
C158 C153 C154 Rh6 121.6 . . . . ?
C158 C153 C154 C155 -177.8 . . . . ?
C158 C153 C154 C159 -0.4 . . . . ?
C158 C153 C157 Rh6 -122.0 . . . . ?
C158 C153 C157 C156 177.7 . . . . ?
C158 C153 C157 C162 -3.8 . . . . ?
C159 C154 C155 Rh6 121.5 . . . . ?
C159 C154 C155 C156 -176.0 . . . . ?
C159 C154 C155 C160 0.4 . . . . ?
C160 C155 C156 Rh6 122.0 . . . . ?
C160 C155 C156 C157 -177.2 . . . . ?
C160 C155 C156 C161 2.3 . . . . ?
C161 C156 C157 Rh6 120.8 . . . . ?
C161 C156 C157 C153 -179.7 . . . . ?
C161 C156 C157 C162 2.1 . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
