#------------------------------------------------------------------------------
#$Date: 2019-11-03 15:49:18 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221797 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/87/4128722.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4128722
loop_
_publ_author_name
'Gao, Wen-Xi'
'Feng, Hui-Jun'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Covalent Post-assembly Modification Triggers Structural Transformations
 of Borromean Rings.
;
_journal_issue                   23
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9160
_journal_page_last               9164
_journal_paper_doi               10.1021/jacs.9b02985
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C104 H140 F12 N12 O38 Pd2 Rh4 S6'
_chemical_formula_weight         3211.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 93.396(4)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   42.412(9)
_cell_length_b                   24.783(5)
_cell_length_c                   37.548(8)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      26.65
_cell_measurement_theta_min      2.22
_cell_volume                     39397(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0896
_diffrn_reflns_av_unetI/netI     0.1009
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            129831
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.784
_diffrn_reflns_theta_min         0.952
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.296
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_description       block
_exptl_crystal_F_000             19536
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.440
_exptl_crystal_size_min          0.320
_refine_diff_density_max         2.278
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2012
_refine_ls_number_reflns         41408
_refine_ls_number_restraints     373
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1613
_refine_ls_R_factor_gt           0.0923
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1569P)²+377.0703P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2458
_refine_ls_wR_factor_ref         0.3084
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22783
_reflns_number_total             41408
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b02985_si_006.cif
_cod_data_source_block           mo_80506a_sq
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4128722
_shelx_shelxl_version_number     2014/7
_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. 
;
_shelx_estimated_absorpt_t_min   0.618
_shelx_estimated_absorpt_t_max   0.750
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'
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
Pd1 Pd 0.11247(2) 0.85709(3) 0.36721(2) 0.0500(2) Uani 1 1 d . . . . .
Pd2 Pd 0.78249(2) 0.50644(3) 0.13422(2) 0.0466(2) Uani 1 1 d . . . . .
Pd3 Pd 0.90285(2) 0.39373(3) 0.43310(2) 0.0513(2) Uani 1 1 d . . . . .
Rh1 Rh 0.03359(2) 0.78747(3) 0.46545(2) 0.0508(2) Uani 1 1 d . . . . .
Rh2 Rh 0.20056(2) 0.96219(3) 0.29456(2) 0.0494(2) Uani 1 1 d . . . . .
Rh3 Rh 0.84536(2) 0.65808(3) 0.21547(2) 0.0577(2) Uani 1 1 d . . . . .
Rh4 Rh 0.69298(2) 0.38661(3) 0.06023(2) 0.0490(2) Uani 1 1 d . . . . .
Rh5 Rh 0.86744(2) 0.56170(3) 0.51450(2) 0.0539(2) Uani 1 1 d . . . . .
Rh6 Rh 0.90939(2) 0.23771(4) 0.33193(3) 0.0647(3) Uani 1 1 d . . . . .
N1 N 0.0926(2) 0.8847(3) 0.4088(2) 0.049(2) Uani 1 1 d . . . . .
N2 N 0.13503(19) 0.9252(3) 0.3687(2) 0.0451(19) Uani 1 1 d . . . . .
N3 N 0.07890(19) 0.7590(3) 0.4855(2) 0.0477(19) Uani 1 1 d . . . . .
N4 N 0.1623(2) 0.7012(3) 0.5753(2) 0.0477(19) Uani 1 1 d . . . . .
N5 N 0.1832(2) 0.6771(3) 0.5981(2) 0.053(2) Uani 1 1 d . . . . .
N6 N 0.26486(19) 0.5669(3) 0.6673(2) 0.0448(18) Uani 1 1 d . . . . .
N7 N 0.7735(2) 0.5605(3) 0.1691(2) 0.054(2) Uani 1 1 d . . . . .
N8 N 0.7374(2) 0.4952(3) 0.1320(2) 0.049(2) Uani 1 1 d . . . . .
N9 N 0.8322(2) 0.7044(3) 0.1688(2) 0.049(2) Uani 1 1 d . . . . .
N10 N 0.8053(2) 0.8623(3) 0.0915(2) 0.053(2) Uani 1 1 d . . . . .
N11 N 0.8042(2) 0.9047(3) 0.0689(2) 0.054(2) Uani 1 1 d . . . . .
N12 N 0.81173(19) 1.0460(3) -0.0266(2) 0.0466(19) Uani 1 1 d . . . . .
N13 N 0.8772(2) 0.4575(3) 0.4285(2) 0.053(2) Uani 1 1 d . . . . .
N14 N 0.88606(19) 0.3792(3) 0.3845(2) 0.0475(19) Uani 1 1 d . . . . .
N15 N 0.83287(19) 0.5023(3) 0.5277(2) 0.0458(18) Uani 1 1 d . . . . .
N16 N 0.7325(2) 0.4209(3) 0.5622(2) 0.057(2) Uani 1 1 d . . . . .
N17 N 0.7089(2) 0.3970(3) 0.5771(2) 0.054(2) Uani 1 1 d . . . . .
N18 N 0.6312(2) 0.2932(3) 0.6448(2) 0.053(2) Uani 1 1 d . . . . .
O1 O 0.05840(16) 0.8589(3) 0.45118(19) 0.0520(17) Uani 1 1 d . . . . .
O2 O 0.05007(17) 0.7647(3) 0.41457(18) 0.0537(17) Uani 1 1 d . . . . .
O3 O 0.08386(17) 0.7904(3) 0.37514(19) 0.0541(17) Uani 1 1 d . . . . .
O4 O 0.17269(17) 0.9737(3) 0.33957(18) 0.0512(17) Uani 1 1 d . . . . .
O5 O 0.17835(16) 0.8852(3) 0.29842(18) 0.0505(16) Uani 1 1 d . . . . .
O6 O 0.13975(18) 0.8433(3) 0.32461(18) 0.0561(18) Uani 1 1 d . . . . .
O7 O 0.79920(17) 0.6236(3) 0.20683(18) 0.0527(17) Uani 1 1 d . . . . .
O8 O 0.85388(19) 0.5926(3) 0.1792(2) 0.0593(19) Uani 1 1 d . . . . .
O9 O 0.82889(16) 0.5319(3) 0.14429(18) 0.0510(16) Uani 1 1 d . . . . .
O10 O 0.69759(16) 0.4446(3) 0.10251(19) 0.0504(16) Uani 1 1 d . . . . .
O11 O 0.74260(16) 0.4035(3) 0.06290(19) 0.0523(17) Uani 1 1 d . . . . .
O12 O 0.78006(17) 0.4480(3) 0.09417(19) 0.0521(17) Uani 1 1 d . . . . .
O13 O 0.86099(17) 0.5306(3) 0.46104(18) 0.0545(17) Uani 1 1 d . . . . .
O14 O 0.89971(18) 0.4952(3) 0.5158(2) 0.0591(18) Uani 1 1 d . . . . .
O15 O 0.91396(18) 0.4247(3) 0.48413(19) 0.0584(18) Uani 1 1 d . . . . .
O16 O 0.88871(19) 0.3152(3) 0.3395(2) 0.0614(19) Uani 1 1 d . . . . .
O17 O 0.92631(18) 0.2561(3) 0.3855(2) 0.0612(19) Uani 1 1 d . . . . .
O18 O 0.92540(17) 0.3207(3) 0.42665(18) 0.0527(17) Uani 1 1 d . . . . .
O19 O 0.2481(4) 0.3581(5) 0.5465(4) 0.159(6) Uani 1 1 d . U . . .
O20 O 0.2313(4) 0.4459(5) 0.5655(3) 0.132(5) Uani 1 1 d . U . . .
O21 O 0.2796(4) 0.4125(7) 0.5901(5) 0.201(8) Uani 1 1 d D U . . .
O22 O 0.9392(4) 0.0878(7) 0.4090(5) 0.188(7) Uani 1 1 d D U . . .
O23 O 0.8923(4) 0.0318(7) 0.4103(5) 0.188(7) Uani 1 1 d D U . . .
O24 O 0.9066(5) 0.0863(5) 0.4555(5) 0.176(7) Uani 1 1 d . U . . .
S1 S 0.24688(13) 0.39777(14) 0.57352(12) 0.1051(16) Uani 1 1 d D . . . .
S2 S 0.91898(14) 0.0579(2) 0.43087(17) 0.1202(18) Uani 1 1 d D . . . .
F1 F 0.2028(4) 0.3473(8) 0.6010(4) 0.210(7) Uani 1 1 d . U . . .
F2 F 0.2482(3) 0.3246(5) 0.6239(4) 0.162(5) Uani 1 1 d . U . . .
F3 F 0.2286(5) 0.3998(6) 0.6378(4) 0.201(7) Uani 1 1 d . U . . .
F4 F 0.9653(6) 0.0197(8) 0.4588(7) 0.279(11) Uani 1 1 d . U . . .
F5 F 0.9232(6) -0.0252(8) 0.4662(6) 0.261(10) Uani 1 1 d . U . . .
F6 F 0.9454(4) -0.0308(6) 0.4169(5) 0.224(8) Uani 1 1 d D U . . .
C1 C 0.1035(3) 0.9359(4) 0.4188(3) 0.053(2) Uani 1 1 d . . . . .
C2 C 0.1265(3) 0.9593(4) 0.3976(3) 0.051(2) Uani 1 1 d . . . . .
C3 C 0.1390(3) 1.0093(4) 0.4045(3) 0.057(3) Uani 1 1 d . . . . .
H3 H 0.1543 1.0240 0.3902 0.068 Uiso 1 1 calc R U . . .
C4 C 0.1281(3) 1.0382(4) 0.4336(3) 0.065(3) Uani 1 1 d . . . . .
H4 H 0.1356 1.0733 0.4382 0.078 Uiso 1 1 calc R U . . .
C5 C 0.1065(3) 1.0157(5) 0.4557(4) 0.073(3) Uani 1 1 d . . . . .
H5 H 0.1002 1.0352 0.4755 0.088 Uiso 1 1 calc R U . . .
C6 C 0.0942(3) 0.9646(4) 0.4486(3) 0.061(3) Uani 1 1 d . . . . .
H6 H 0.0796 0.9494 0.4636 0.074 Uiso 1 1 calc R U . . .
C7 C 0.0729(2) 0.8521(4) 0.4231(3) 0.050(2) Uani 1 1 d . . . . .
C8 C 0.0687(3) 0.7981(4) 0.4025(3) 0.051(2) Uani 1 1 d . . . . .
C9 C 0.1553(2) 0.9328(4) 0.3444(3) 0.049(2) Uani 1 1 d . . . . .
C10 C 0.1579(3) 0.8824(4) 0.3208(3) 0.049(2) Uani 1 1 d . . . . .
C11 C 0.0951(2) 0.7850(4) 0.5134(3) 0.052(2) Uani 1 1 d . . . . .
H11 H 0.0882 0.8190 0.5207 0.063 Uiso 1 1 calc R U . . .
C12 C 0.1208(2) 0.7623(4) 0.5303(3) 0.050(2) Uani 1 1 d . . . . .
H12 H 0.1313 0.7811 0.5493 0.060 Uiso 1 1 calc R U . . .
C13 C 0.1321(2) 0.7120(4) 0.5206(3) 0.047(2) Uani 1 1 d . . . . .
C14 C 0.1172(3) 0.6881(4) 0.4906(3) 0.050(2) Uani 1 1 d . . . . .
H14 H 0.1250 0.6559 0.4812 0.060 Uiso 1 1 calc R U . . .
C15 C 0.0907(3) 0.7125(4) 0.4749(3) 0.052(2) Uani 1 1 d . . . . .
H15 H 0.0803 0.6951 0.4553 0.062 Uiso 1 1 calc R U . . .
C16 C 0.1578(2) 0.6839(4) 0.5419(3) 0.045(2) Uani 1 1 d . . . . .
C17 C 0.1753(3) 0.6413(5) 0.5292(3) 0.071(3) Uani 1 1 d . . . . .
H17 H 0.1723 0.6297 0.5054 0.085 Uiso 1 1 calc R U . . .
C18 C 0.1971(3) 0.6167(5) 0.5522(3) 0.069(3) Uani 1 1 d . . . . .
H18 H 0.2099 0.5883 0.5446 0.082 Uiso 1 1 calc R U . . .
C19 C 0.1997(2) 0.6354(4) 0.5874(2) 0.047(2) Uani 1 1 d . . . . .
C20 C 0.2499(3) 0.6127(4) 0.6730(3) 0.050(2) Uani 1 1 d . . . . .
H20 H 0.2539 0.6305 0.6949 0.060 Uiso 1 1 calc R U . . .
C21 C 0.2287(3) 0.6351(4) 0.6481(3) 0.057(3) Uani 1 1 d . . . . .
H21 H 0.2182 0.6671 0.6535 0.068 Uiso 1 1 calc R U . . .
C22 C 0.2229(2) 0.6106(3) 0.6149(2) 0.041(2) Uani 1 1 d . . . . .
C23 C 0.2386(3) 0.5618(4) 0.6097(3) 0.056(3) Uani 1 1 d . . . . .
H23 H 0.2349 0.5427 0.5882 0.067 Uiso 1 1 calc R U . . .
C24 C 0.2588(3) 0.5425(4) 0.6348(3) 0.052(3) Uani 1 1 d . . . . .
H24 H 0.2695 0.5103 0.6301 0.062 Uiso 1 1 calc R U . . .
C25 C 0.0042(2) 0.7353(4) 0.4943(3) 0.056(3) Uani 1 1 d . . . . .
C26 C 0.0080(3) 0.7863(5) 0.5127(3) 0.064(3) Uani 1 1 d . . . . .
C27 C -0.0044(2) 0.8278(5) 0.4890(3) 0.058(3) Uani 1 1 d . . . . .
C28 C -0.0159(2) 0.8041(5) 0.4562(3) 0.062(3) Uani 1 1 d . . . . .
C29 C -0.0110(2) 0.7465(5) 0.4601(3) 0.057(3) Uani 1 1 d . . . . .
C30 C 0.0133(3) 0.6812(5) 0.5089(4) 0.080(4) Uani 1 1 d . . . . .
H30A H 0.0192 0.6579 0.4896 0.120 Uiso 1 1 calc R U . . .
H30B H -0.0044 0.6654 0.5203 0.120 Uiso 1 1 calc R U . . .
H30C H 0.0310 0.6849 0.5262 0.120 Uiso 1 1 calc R U . . .
C31 C 0.0216(3) 0.7960(7) 0.5510(4) 0.088(4) Uani 1 1 d . . . . .
H31A H 0.0360 0.7670 0.5580 0.131 Uiso 1 1 calc R U . . .
H31B H 0.0045 0.7971 0.5671 0.131 Uiso 1 1 calc R U . . .
H31C H 0.0329 0.8301 0.5521 0.131 Uiso 1 1 calc R U . . .
C32 C -0.0040(4) 0.8868(6) 0.4970(5) 0.095(5) Uani 1 1 d . . . . .
H32A H 0.0005 0.9068 0.4756 0.142 Uiso 1 1 calc R U . . .
H32B H 0.0121 0.8944 0.5157 0.142 Uiso 1 1 calc R U . . .
H32C H -0.0245 0.8977 0.5048 0.142 Uiso 1 1 calc R U . . .
C33 C -0.0322(3) 0.8298(7) 0.4236(4) 0.094(5) Uani 1 1 d . . . . .
H33A H -0.0543 0.8358 0.4278 0.141 Uiso 1 1 calc R U . . .
H33B H -0.0306 0.8062 0.4032 0.141 Uiso 1 1 calc R U . . .
H33C H -0.0222 0.8641 0.4189 0.141 Uiso 1 1 calc R U . . .
C34 C -0.0189(3) 0.7060(6) 0.4323(4) 0.082(4) Uani 1 1 d . . . . .
H34A H -0.0131 0.6704 0.4412 0.124 Uiso 1 1 calc R U . . .
H34B H -0.0075 0.7138 0.4113 0.124 Uiso 1 1 calc R U . . .
H34C H -0.0415 0.7070 0.4261 0.124 Uiso 1 1 calc R U . . .
C35 C 0.1746(3) 1.0093(6) 0.2560(4) 0.073(4) Uani 1 1 d . . . . .
C36 C 0.1975(3) 1.0420(4) 0.2738(3) 0.064(3) Uani 1 1 d . . . . .
C37 C 0.2278(3) 1.0205(5) 0.2681(3) 0.065(3) Uani 1 1 d . . . . .
C38 C 0.2223(4) 0.9745(5) 0.2460(3) 0.072(4) Uani 1 1 d . . . . .
C39 C 0.1900(3) 0.9691(5) 0.2376(3) 0.070(4) Uani 1 1 d . . . . .
C40 C 0.1393(4) 1.0154(9) 0.2551(5) 0.128(8) Uani 1 1 d . . . . .
H40A H 0.1295 0.9802 0.2521 0.193 Uiso 1 1 calc R U . . .
H40B H 0.1324 1.0386 0.2354 0.193 Uiso 1 1 calc R U . . .
H40C H 0.1333 1.0314 0.2773 0.193 Uiso 1 1 calc R U . . .
C41 C 0.1920(5) 1.0903(6) 0.2965(5) 0.117(6) Uani 1 1 d . . . . .
H41A H 0.2109 1.0981 0.3113 0.176 Uiso 1 1 calc R U . . .
H41B H 0.1746 1.0830 0.3115 0.176 Uiso 1 1 calc R U . . .
H41C H 0.1868 1.1211 0.2813 0.176 Uiso 1 1 calc R U . . .
C42 C 0.2581(4) 1.0436(7) 0.2801(4) 0.118(7) Uani 1 1 d . U . . .
H42A H 0.2635 1.0725 0.2641 0.177 Uiso 1 1 calc R U . . .
H42B H 0.2743 1.0159 0.2802 0.177 Uiso 1 1 calc R U . . .
H42C H 0.2568 1.0579 0.3040 0.177 Uiso 1 1 calc R U . . .
C43 C 0.2491(5) 0.9390(7) 0.2314(5) 0.122(7) Uani 1 1 d . U . . .
H43A H 0.2661 0.9351 0.2497 0.183 Uiso 1 1 calc R U . . .
H43B H 0.2571 0.9562 0.2106 0.183 Uiso 1 1 calc R U . . .
H43C H 0.2408 0.9037 0.2249 0.183 Uiso 1 1 calc R U . . .
C44 C 0.1749(6) 0.9211(7) 0.2151(4) 0.145(8) Uani 1 1 d . U . . .
H44A H 0.1787 0.9262 0.1901 0.218 Uiso 1 1 calc R U . . .
H44B H 0.1523 0.9203 0.2179 0.218 Uiso 1 1 calc R U . . .
H44C H 0.1842 0.8874 0.2234 0.218 Uiso 1 1 calc R U . . .
C45 C 0.7412(2) 0.5676(3) 0.1747(2) 0.044(2) Uani 1 1 d . . . . .
C46 C 0.7211(3) 0.5316(3) 0.1546(2) 0.049(2) Uani 1 1 d . . . . .
C47 C 0.6890(2) 0.5356(4) 0.1567(3) 0.048(2) Uani 1 1 d . . . . .
H47 H 0.6753 0.5125 0.1433 0.058 Uiso 1 1 calc R U . . .
C48 C 0.6771(3) 0.5740(4) 0.1789(3) 0.061(3) Uani 1 1 d . . . . .
H48 H 0.6551 0.5762 0.1807 0.073 Uiso 1 1 calc R U . . .
C49 C 0.6964(3) 0.6095(4) 0.1984(3) 0.055(3) Uani 1 1 d . . . . .
H49 H 0.6877 0.6358 0.2129 0.066 Uiso 1 1 calc R U . . .
C50 C 0.7287(3) 0.6058(4) 0.1963(3) 0.057(3) Uani 1 1 d . . . . .
H50 H 0.7421 0.6293 0.2097 0.068 Uiso 1 1 calc R U . . .
C51 C 0.7989(3) 0.5860(4) 0.1830(3) 0.052(2) Uani 1 1 d . . . . .
C52 C 0.8294(2) 0.5683(4) 0.1680(3) 0.044(2) Uani 1 1 d . . . . .
C53 C 0.7259(2) 0.4597(4) 0.1084(2) 0.044(2) Uani 1 1 d . . . . .
C54 C 0.7519(2) 0.4348(3) 0.0878(3) 0.042(2) Uani 1 1 d . . . . .
C55 C 0.8506(3) 0.7027(4) 0.1400(3) 0.055(3) Uani 1 1 d . . . . .
H55 H 0.8668 0.6768 0.1399 0.066 Uiso 1 1 calc R U . . .
C56 C 0.8467(3) 0.7362(4) 0.1116(3) 0.054(3) Uani 1 1 d . . . . .
H56 H 0.8604 0.7339 0.0928 0.065 Uiso 1 1 calc R U . . .
C57 C 0.8224(3) 0.7743(4) 0.1104(3) 0.048(2) Uani 1 1 d . . . . .
C58 C 0.8024(3) 0.7741(4) 0.1388(3) 0.056(3) Uani 1 1 d . . . . .
H58 H 0.7850 0.7976 0.1388 0.067 Uiso 1 1 calc R U . . .
C59 C 0.8088(3) 0.7388(4) 0.1668(3) 0.052(2) Uani 1 1 d . . . . .
H59 H 0.7952 0.7395 0.1857 0.062 Uiso 1 1 calc R U . . .
C60 C 0.8206(3) 0.8172(4) 0.0821(3) 0.048(2) Uani 1 1 d . . . . .
C61 C 0.8326(4) 0.8116(4) 0.0493(3) 0.077(4) Uani 1 1 d . . . . .
H61 H 0.8415 0.7787 0.0424 0.092 Uiso 1 1 calc R U . . .
C62 C 0.8314(3) 0.8547(5) 0.0269(3) 0.073(4) Uani 1 1 d . . . . .
H62 H 0.8395 0.8527 0.0042 0.087 Uiso 1 1 calc R U . . .
C63 C 0.8179(2) 0.9014(4) 0.0385(3) 0.045(2) Uani 1 1 d . . . . .
C64 C 0.8314(2) 1.0040(4) -0.0339(3) 0.051(2) Uani 1 1 d . . . . .
H64 H 0.8437 1.0069 -0.0539 0.061 Uiso 1 1 calc R U . . .
C65 C 0.8342(2) 0.9580(4) -0.0137(3) 0.047(2) Uani 1 1 d . . . . .
H65 H 0.8479 0.9304 -0.0203 0.056 Uiso 1 1 calc R U . . .
C66 C 0.8169(2) 0.9519(3) 0.0166(2) 0.0380(19) Uani 1 1 d . . . . .
C67 C 0.7981(2) 0.9960(3) 0.0252(3) 0.045(2) Uani 1 1 d . . . . .
H67 H 0.7866 0.9947 0.0459 0.054 Uiso 1 1 calc R U . . .
C68 C 0.7961(3) 1.0412(4) 0.0036(3) 0.049(2) Uani 1 1 d . . . . .
H68 H 0.7833 1.0700 0.0103 0.059 Uiso 1 1 calc R U . . .
C69 C 0.8647(4) 0.6309(5) 0.2659(4) 0.077(4) Uani 1 1 d . . . . .
C70 C 0.8879(4) 0.6493(6) 0.2458(3) 0.084(4) Uani 1 1 d . . . . .
C71 C 0.8825(3) 0.7050(4) 0.2376(3) 0.056(3) Uani 1 1 d . . . . .
C72 C 0.8546(3) 0.7197(4) 0.2538(3) 0.064(3) Uani 1 1 d . . . . .
C73 C 0.8432(4) 0.6746(6) 0.2719(3) 0.088(5) Uani 1 1 d . . . . .
C74 C 0.8627(5) 0.5749(7) 0.2815(5) 0.139(8) Uani 1 1 d . U . . .
H74A H 0.8412 0.5679 0.2877 0.208 Uiso 1 1 calc R U . . .
H74B H 0.8768 0.5723 0.3027 0.208 Uiso 1 1 calc R U . . .
H74C H 0.8688 0.5486 0.2641 0.208 Uiso 1 1 calc R U . . .
C75 C 0.9181(5) 0.6187(8) 0.2344(6) 0.146(8) Uani 1 1 d . U . . .
H75A H 0.9118 0.5873 0.2203 0.219 Uiso 1 1 calc R U . . .
H75B H 0.9306 0.6074 0.2555 0.219 Uiso 1 1 calc R U . . .
H75C H 0.9305 0.6426 0.2203 0.219 Uiso 1 1 calc R U . . .
C76 C 0.9025(4) 0.7429(6) 0.2180(4) 0.100(5) Uani 1 1 d . U . . .
H76A H 0.9008 0.7343 0.1928 0.151 Uiso 1 1 calc R U . . .
H76B H 0.9243 0.7396 0.2271 0.151 Uiso 1 1 calc R U . . .
H76C H 0.8953 0.7796 0.2215 0.151 Uiso 1 1 calc R U . . .
C77 C 0.8402(4) 0.7746(5) 0.2547(4) 0.087(4) Uani 1 1 d . . . . .
H77A H 0.8476 0.7928 0.2765 0.131 Uiso 1 1 calc R U . . .
H77B H 0.8174 0.7714 0.2540 0.131 Uiso 1 1 calc R U . . .
H77C H 0.8463 0.7952 0.2343 0.131 Uiso 1 1 calc R U . . .
C78 C 0.8146(5) 0.6718(9) 0.2907(4) 0.135(8) Uani 1 1 d . . . . .
H78A H 0.7966 0.6674 0.2737 0.203 Uiso 1 1 calc R U . . .
H78B H 0.8121 0.7049 0.3041 0.203 Uiso 1 1 calc R U . . .
H78C H 0.8157 0.6414 0.3069 0.203 Uiso 1 1 calc R U . . .
C79 C 0.6749(3) 0.3223(5) 0.0268(4) 0.075(4) Uani 1 1 d . . . . .
C80 C 0.6975(4) 0.3017(4) 0.0530(4) 0.075(4) Uani 1 1 d . . . . .
C81 C 0.6877(4) 0.3129(5) 0.0884(4) 0.086(4) Uani 1 1 d . . . . .
C82 C 0.6566(4) 0.3398(5) 0.0824(4) 0.076(4) Uani 1 1 d . . . . .
C83 C 0.6498(3) 0.3462(4) 0.0450(4) 0.069(3) Uani 1 1 d . . . . .
C84 C 0.6773(4) 0.3173(6) -0.0123(4) 0.098(5) Uani 1 1 d . . . . .
H84A H 0.6992 0.3212 -0.0180 0.147 Uiso 1 1 calc R U . . .
H84B H 0.6647 0.3453 -0.0243 0.147 Uiso 1 1 calc R U . . .
H84C H 0.6696 0.2822 -0.0201 0.147 Uiso 1 1 calc R U . . .
C85 C 0.7292(4) 0.2770(5) 0.0478(6) 0.128(7) Uani 1 1 d . . . . .
H85A H 0.7375 0.2612 0.0701 0.191 Uiso 1 1 calc R U . . .
H85B H 0.7436 0.3047 0.0403 0.191 Uiso 1 1 calc R U . . .
H85C H 0.7271 0.2492 0.0296 0.191 Uiso 1 1 calc R U . . .
C86 C 0.7030(6) 0.2986(7) 0.1237(5) 0.150(9) Uani 1 1 d . . . . .
H86A H 0.6998 0.3275 0.1405 0.225 Uiso 1 1 calc R U . . .
H86B H 0.7254 0.2933 0.1214 0.225 Uiso 1 1 calc R U . . .
H86C H 0.6937 0.2656 0.1323 0.225 Uiso 1 1 calc R U . . .
C87 C 0.6336(4) 0.3616(7) 0.1101(5) 0.110(6) Uani 1 1 d . . . . .
H87A H 0.6434 0.3578 0.1340 0.165 Uiso 1 1 calc R U . . .
H87B H 0.6141 0.3412 0.1081 0.165 Uiso 1 1 calc R U . . .
H87C H 0.6292 0.3994 0.1052 0.165 Uiso 1 1 calc R U . . .
C88 C 0.6214(4) 0.3676(7) 0.0269(5) 0.106(5) Uani 1 1 d . . . . .
H88A H 0.6245 0.3710 0.0016 0.159 Uiso 1 1 calc R U . . .
H88B H 0.6167 0.4027 0.0367 0.159 Uiso 1 1 calc R U . . .
H88C H 0.6039 0.3432 0.0303 0.159 Uiso 1 1 calc R U . . .
C89 C 0.8596(3) 0.4608(4) 0.3947(3) 0.054(3) Uani 1 1 d . . . . .
C90 C 0.8651(2) 0.4190(4) 0.3707(3) 0.049(2) Uani 1 1 d . . . . .
C91 C 0.8506(3) 0.4178(5) 0.3371(3) 0.068(3) Uani 1 1 d . . . . .
H91 H 0.8546 0.3898 0.3211 0.081 Uiso 1 1 calc R U . . .
C92 C 0.8296(3) 0.4600(6) 0.3274(4) 0.079(4) Uani 1 1 d . . . . .
H92 H 0.8191 0.4594 0.3047 0.095 Uiso 1 1 calc R U . . .
C93 C 0.8240(3) 0.5024(5) 0.3502(3) 0.068(3) Uani 1 1 d . . . . .
H93 H 0.8102 0.5305 0.3428 0.082 Uiso 1 1 calc R U . . .
C94 C 0.8390(3) 0.5031(5) 0.3843(3) 0.068(3) Uani 1 1 d . . . . .
H94 H 0.8355 0.5315 0.4001 0.081 Uiso 1 1 calc R U . . .
C95 C 0.8764(2) 0.4895(4) 0.4571(3) 0.045(2) Uani 1 1 d . . . . .
C96 C 0.8984(2) 0.4679(4) 0.4881(3) 0.051(2) Uani 1 1 d . . . . .
C97 C 0.8948(3) 0.3342(4) 0.3701(3) 0.057(3) Uani 1 1 d . . . . .
C98 C 0.9176(3) 0.3014(5) 0.3975(3) 0.058(3) Uani 1 1 d . . . . .
C99 C 0.8402(3) 0.4644(4) 0.5520(3) 0.055(3) Uani 1 1 d . . . . .
H99 H 0.8612 0.4618 0.5614 0.065 Uiso 1 1 calc R U . . .
C100 C 0.8181(2) 0.4288(4) 0.5637(3) 0.049(2) Uani 1 1 d . . . . .
H100 H 0.8242 0.4017 0.5802 0.058 Uiso 1 1 calc R U . . .
C101 C 0.7873(2) 0.4331(4) 0.5515(3) 0.045(2) Uani 1 1 d . . . . .
C102 C 0.7797(2) 0.4709(4) 0.5244(3) 0.051(2) Uani 1 1 d . . . . .
H102 H 0.7590 0.4733 0.5141 0.061 Uiso 1 1 calc R U . . .
C103 C 0.8033(3) 0.5045(4) 0.5131(3) 0.055(3) Uani 1 1 d . . . . .
H103 H 0.7985 0.5294 0.4948 0.066 Uiso 1 1 calc R U . . .
C104 C 0.7618(3) 0.4000(4) 0.5667(3) 0.051(2) Uani 1 1 d . . . . .
C105 C 0.7674(3) 0.3529(4) 0.5861(4) 0.070(3) Uani 1 1 d . . . . .
H105 H 0.7878 0.3384 0.5892 0.084 Uiso 1 1 calc R U . . .
C106 C 0.7426(3) 0.3286(4) 0.6003(3) 0.065(3) Uani 1 1 d . . . . .
H106 H 0.7452 0.2957 0.6126 0.078 Uiso 1 1 calc R U . . .
C107 C 0.7139(2) 0.3524(4) 0.5966(3) 0.047(2) Uani 1 1 d . . . . .
C108 C 0.6288(2) 0.3309(4) 0.6196(3) 0.052(2) Uani 1 1 d . . . . .
H108 H 0.6087 0.3443 0.6125 0.062 Uiso 1 1 calc R U . . .
C109 C 0.6548(2) 0.3511(4) 0.6034(3) 0.052(2) Uani 1 1 d . . . . .
H109 H 0.6522 0.3783 0.5861 0.062 Uiso 1 1 calc R U . . .
C110 C 0.6847(2) 0.3312(4) 0.6130(3) 0.045(2) Uani 1 1 d . . . . .
C111 C 0.6863(3) 0.2920(4) 0.6403(3) 0.052(2) Uani 1 1 d . . . . .
H111 H 0.7061 0.2788 0.6489 0.063 Uiso 1 1 calc R U . . .
C112 C 0.6596(3) 0.2734(4) 0.6542(3) 0.054(3) Uani 1 1 d . . . . .
H112 H 0.6613 0.2454 0.6711 0.065 Uiso 1 1 calc R U . . .
C113 C 0.8453(3) 0.6342(4) 0.5307(3) 0.060(3) Uani 1 1 d . . . . .
C114 C 0.8667(3) 0.6128(4) 0.5597(3) 0.059(3) Uani 1 1 d . . . . .
C115 C 0.8975(3) 0.6134(5) 0.5468(4) 0.064(3) Uani 1 1 d . . . . .
C116 C 0.8946(3) 0.6325(4) 0.5099(3) 0.059(3) Uani 1 1 d . . . . .
C117 C 0.8632(3) 0.6458(5) 0.5005(3) 0.065(3) Uani 1 1 d . . . . .
C118 C 0.8111(3) 0.6452(5) 0.5329(4) 0.081(4) Uani 1 1 d . . . . .
H11A H 0.8081 0.6828 0.5390 0.122 Uiso 1 1 calc R U . . .
H11B H 0.8027 0.6225 0.5511 0.122 Uiso 1 1 calc R U . . .
H11C H 0.8002 0.6376 0.5100 0.122 Uiso 1 1 calc R U . . .
C119 C 0.8581(4) 0.5998(6) 0.5967(4) 0.089(4) Uani 1 1 d . . . . .
H11D H 0.8711 0.5701 0.6060 0.134 Uiso 1 1 calc R U . . .
H11E H 0.8360 0.5896 0.5964 0.134 Uiso 1 1 calc R U . . .
H11F H 0.8617 0.6311 0.6119 0.134 Uiso 1 1 calc R U . . .
C120 C 0.9266(4) 0.5958(6) 0.5670(6) 0.114(6) Uani 1 1 d . . . . .
H12A H 0.9427 0.6233 0.5656 0.170 Uiso 1 1 calc R U . . .
H12B H 0.9340 0.5624 0.5569 0.170 Uiso 1 1 calc R U . . .
H12C H 0.9222 0.5899 0.5918 0.170 Uiso 1 1 calc R U . . .
C121 C 0.9223(4) 0.6382(6) 0.4856(5) 0.103(5) Uani 1 1 d . . . . .
H12D H 0.9176 0.6187 0.4636 0.154 Uiso 1 1 calc R U . . .
H12E H 0.9413 0.6234 0.4976 0.154 Uiso 1 1 calc R U . . .
H12F H 0.9256 0.6760 0.4804 0.154 Uiso 1 1 calc R U . . .
C122 C 0.8502(4) 0.6671(6) 0.4660(4) 0.098(5) Uani 1 1 d . . . . .
H12G H 0.8575 0.7038 0.4629 0.147 Uiso 1 1 calc R U . . .
H12H H 0.8273 0.6667 0.4655 0.147 Uiso 1 1 calc R U . . .
H12I H 0.8572 0.6448 0.4468 0.147 Uiso 1 1 calc R U . . .
C123 C 0.9264(4) 0.1668(7) 0.3059(5) 0.084(4) Uani 1 1 d . . . . .
C124 C 0.9059(5) 0.1954(8) 0.2822(5) 0.108(6) Uani 1 1 d . . . . .
C125 C 0.9193(6) 0.2484(8) 0.2766(5) 0.124(7) Uani 1 1 d . . . . .
C126 C 0.9473(5) 0.2504(6) 0.2986(5) 0.112(6) Uani 1 1 d D . . . .
C127 C 0.9509(4) 0.1995(7) 0.3163(4) 0.094(5) Uani 1 1 d D . . . .
C128 C 0.9222(5) 0.1102(7) 0.3151(6) 0.142(9) Uani 1 1 d . . . . .
H12J H 0.9004 0.0998 0.3096 0.213 Uiso 1 1 calc R U . . .
H12K H 0.9274 0.1051 0.3404 0.213 Uiso 1 1 calc R U . . .
H12L H 0.9359 0.0880 0.3014 0.213 Uiso 1 1 calc R U . . .
C129 C 0.8758(5) 0.1745(10) 0.2636(5) 0.154(9) Uani 1 1 d . . . . .
H12M H 0.8810 0.1499 0.2447 0.231 Uiso 1 1 calc R U . . .
H12N H 0.8636 0.2045 0.2534 0.231 Uiso 1 1 calc R U . . .
H12O H 0.8635 0.1556 0.2806 0.231 Uiso 1 1 calc R U . . .
C130 C 0.9052(6) 0.2911(10) 0.2540(6) 0.160(9) Uani 1 1 d . U . . .
H13A H 0.9173 0.3240 0.2577 0.240 Uiso 1 1 calc R U . . .
H13B H 0.8836 0.2972 0.2602 0.240 Uiso 1 1 calc R U . . .
H13C H 0.9053 0.2803 0.2292 0.240 Uiso 1 1 calc R U . . .
C131 C 0.9716(7) 0.2966(10) 0.3023(7) 0.210(13) Uani 1 1 d D U . . .
H13D H 0.9843 0.2968 0.2816 0.316 Uiso 1 1 calc R U . . .
H13E H 0.9851 0.2914 0.3237 0.316 Uiso 1 1 calc R U . . .
H13F H 0.9606 0.3308 0.3037 0.316 Uiso 1 1 calc R U . . .
C132 C 0.9784(5) 0.1848(11) 0.3427(6) 0.165(9) Uani 1 1 d D U . . .
H13G H 0.9702 0.1708 0.3644 0.248 Uiso 1 1 calc R U . . .
H13H H 0.9910 0.2168 0.3482 0.248 Uiso 1 1 calc R U . . .
H13I H 0.9914 0.1576 0.3323 0.248 Uiso 1 1 calc R U . . .
C133 C 0.2312(4) 0.3646(7) 0.6110(5) 0.102(5) Uani 1 1 d . . . . .
C134 C 0.9406(6) 0.0018(8) 0.4455(6) 0.149(9) Uani 1 1 d D . . . .
C135 C 0.0723(5) 0.1816(6) 0.4290(5) 0.152(8) Uani 1 1 d D U . . .
O25 O 0.0527(3) 0.2711(5) 0.4478(5) 0.154(6) Uani 1 1 d D . . . .
F7 F 0.0573(6) 0.1846(9) 0.3973(6) 0.277(11) Uani 1 1 d D U . . .
F8 F 0.1001(5) 0.1561(7) 0.4245(7) 0.275(11) Uani 1 1 d D U . . .
F9 F 0.0574(5) 0.1552(7) 0.4541(6) 0.260(10) Uani 1 1 d D U . . .
S3 S 0.0838(3) 0.2463(4) 0.4462(4) 0.130(4) Uani 0.67(2) 1 d D U P A 1
O26 O 0.1072(6) 0.2407(7) 0.4757(7) 0.154(12) Uani 0.67(2) 1 d D U P A 1
O27 O 0.1016(6) 0.2714(8) 0.4177(6) 0.149(10) Uani 0.67(2) 1 d D U P A 1
S3' S 0.0798(5) 0.2374(10) 0.4572(8) 0.153(9) Uani 0.33(2) 1 d D U P A 2
O26' O 0.0760(14) 0.221(2) 0.4926(11) 0.18(2) Uani 0.33(2) 1 d D U P A 2
O27' O 0.1084(6) 0.2350(14) 0.4388(10) 0.091(13) Uani 0.33(2) 1 d D U P A 2
S4 S 0.2658(4) 0.2327(7) 0.9918(4) 0.167(4) Uani 0.5 1 d D U P . .
O28 O 0.2842(13) 0.212(2) 1.0213(13) 0.148(7) Uani 0.5 1 d D U P . .
O29 O 0.2451(7) 0.2016(12) 0.9693(9) 0.171(13) Uani 0.5 1 d D U P . .
O30 O 0.2823(5) 0.2737(10) 0.9724(7) 0.115(8) Uani 0.5 1 d D U P . .
C136 C 0.2622(7) 0.2174(11) 0.9920(7) 0.146(7) Uani 0.5 1 d D U P . .
F10 F 0.2874(10) 0.2215(19) 1.0175(12) 0.147(6) Uani 0.5 1 d D U P . .
F11 F 0.2623(7) 0.2322(11) 0.9563(5) 0.139(8) Uani 0.5 1 d D U P . .
F12 F 0.2404(6) 0.1779(8) 0.9956(7) 0.137(8) Uani 0.5 1 d D U P . .
S7 S 0.1647(3) 0.4398(5) 0.2966(3) 0.123(4) Uani 0.5 1 d D U P B 1
O37 O 0.1761(10) 0.4822(14) 0.2696(12) 0.087(8) Uani 0.5 1 d . U P B 1
C139 C 0.1251(11) 0.423(3) 0.312(2) 0.25(4) Uani 0.5 1 d D U P B 1
H139 H 0.1271 0.3938 0.3293 0.373 Uiso 0.5 1 calc R U P B 1
H13J H 0.1162 0.4543 0.3230 0.373 Uiso 0.5 1 calc R U P B 1
H13K H 0.1114 0.4116 0.2918 0.373 Uiso 0.5 1 calc R U P B 1
C140 C 0.1632(13) 0.3795(14) 0.2669(12) 0.161(15) Uani 0.5 1 d D U P B 1
H14A H 0.1562 0.3484 0.2801 0.241 Uiso 0.5 1 calc R U P B 1
H14B H 0.1485 0.3860 0.2466 0.241 Uiso 0.5 1 calc R U P B 1
H14C H 0.1841 0.3726 0.2587 0.241 Uiso 0.5 1 calc R U P B 1
S7' S 0.1561(7) 0.4347(12) 0.2730(7) 0.263(12) Uani 0.5 1 d D U P C 2
O37' O 0.1754(12) 0.4834(16) 0.2800(13) 0.126(16) Uani 0.5 1 d D U P C 2
C239 C 0.1203(9) 0.460(2) 0.2947(17) 0.17(2) Uani 0.5 1 d D U P C 2
H23A H 0.1039 0.4325 0.2929 0.258 Uiso 0.5 1 calc R U P C 2
H23B H 0.1257 0.4678 0.3196 0.258 Uiso 0.5 1 calc R U P C 2
H23C H 0.1127 0.4925 0.2827 0.258 Uiso 0.5 1 calc R U P C 2
C240 C 0.1724(11) 0.3936(15) 0.3100(10) 0.138(13) Uani 0.5 1 d D U P C 2
H24A H 0.1620 0.3587 0.3096 0.206 Uiso 0.5 1 calc R U P C 2
H24B H 0.1949 0.3886 0.3077 0.206 Uiso 0.5 1 calc R U P C 2
H24C H 0.1690 0.4116 0.3324 0.206 Uiso 0.5 1 calc R U P C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Pd1 N1 84.6(3) . .
N2 Pd1 O6 82.4(3) . .
N1 Pd1 O6 167.0(3) . .
N2 Pd1 O3 167.8(3) . .
N1 Pd1 O3 83.2(3) . .
O6 Pd1 O3 109.8(3) . .
N7 Pd2 N8 83.9(4) . .
N7 Pd2 O9 83.7(3) . .
N8 Pd2 O9 167.5(3) . .
N7 Pd2 O12 165.7(4) . .
N8 Pd2 O12 82.1(3) . .
O9 Pd2 O12 110.3(3) . .
N13 Pd3 N14 84.0(4) . .
N13 Pd3 O18 166.7(3) . .
N14 Pd3 O18 82.8(3) . .
N13 Pd3 O15 82.8(3) . .
N14 Pd3 O15 166.8(3) . .
O18 Pd3 O15 110.3(3) . .
C27 Rh1 C26 39.5(4) . .
C27 Rh1 C25 66.2(4) . .
C26 Rh1 C25 39.6(5) . .
C27 Rh1 N3 133.9(4) . .
C26 Rh1 N3 101.1(4) . .
C25 Rh1 N3 99.3(4) . .
C27 Rh1 O1 96.3(4) . .
C26 Rh1 O1 120.0(4) . .
C25 Rh1 O1 159.5(4) . .
N3 Rh1 O1 85.2(3) . .
C27 Rh1 C29 65.0(4) . .
C26 Rh1 C29 65.4(4) . .
C25 Rh1 C29 39.1(4) . .
N3 Rh1 C29 130.2(4) . .
O1 Rh1 C29 144.1(4) . .
C27 Rh1 O2 141.7(4) . .
C26 Rh1 O2 160.7(4) . .
C25 Rh1 O2 121.5(4) . .
N3 Rh1 O2 83.9(3) . .
O1 Rh1 O2 78.7(3) . .
C29 Rh1 O2 97.1(4) . .
C27 Rh1 C28 38.9(4) . .
C26 Rh1 C28 66.2(5) . .
C25 Rh1 C28 66.6(4) . .
N3 Rh1 C28 165.5(4) . .
O1 Rh1 C28 106.9(4) . .
C29 Rh1 C28 39.4(4) . .
O2 Rh1 C28 105.9(4) . .
C38 Rh2 N6 108.2(4) . 7_566
C38 Rh2 C35 64.3(5) . .
N6 Rh2 C35 164.3(5) 7_566 .
C38 Rh2 C36 64.5(4) . .
N6 Rh2 C36 126.1(4) 7_566 .
C35 Rh2 C36 38.6(5) . .
C38 Rh2 C37 39.0(5) . .
N6 Rh2 C37 100.0(4) 7_566 .
C35 Rh2 C37 65.2(5) . .
C36 Rh2 C37 38.9(5) . .
C38 Rh2 O5 113.9(4) . .
N6 Rh2 O5 86.6(3) 7_566 .
C35 Rh2 O5 109.0(5) . .
C36 Rh2 O5 146.9(4) . .
C37 Rh2 O5 152.8(4) . .
C38 Rh2 O4 162.3(4) . .
N6 Rh2 O4 84.5(3) 7_566 .
C35 Rh2 O4 100.2(4) . .
C36 Rh2 O4 98.1(4) . .
C37 Rh2 O4 128.2(4) . .
O5 Rh2 O4 78.4(2) . .
C38 Rh2 C39 38.0(5) . .
N6 Rh2 C39 142.2(5) 7_566 .
C35 Rh2 C39 38.1(5) . .
C36 Rh2 C39 63.9(5) . .
C37 Rh2 C39 64.6(4) . .
O5 Rh2 C39 94.1(4) . .
O4 Rh2 C39 132.7(4) . .
C70 Rh3 C71 40.1(5) . .
C70 Rh3 C72 65.5(5) . .
C71 Rh3 C72 39.1(5) . .
C70 Rh3 C69 37.5(5) . .
C71 Rh3 C69 65.2(4) . .
C72 Rh3 C69 65.0(5) . .
C70 Rh3 N9 132.7(5) . .
C71 Rh3 N9 100.4(4) . .
C72 Rh3 N9 101.4(4) . .
C69 Rh3 N9 165.1(4) . .
C70 Rh3 O7 142.5(5) . .
C71 Rh3 O7 160.4(4) . .
C72 Rh3 O7 121.4(4) . .
C69 Rh3 O7 108.0(4) . .
N9 Rh3 O7 84.1(3) . .
C70 Rh3 O8 95.4(5) . .
C71 Rh3 O8 121.2(4) . .
C72 Rh3 O8 159.6(4) . .
C69 Rh3 O8 104.6(5) . .
N9 Rh3 O8 86.1(3) . .
O7 Rh3 O8 77.9(3) . .
C70 Rh3 C73 64.6(6) . .
C71 Rh3 C73 65.2(5) . .
C72 Rh3 C73 38.4(5) . .
C69 Rh3 C73 39.2(6) . .
N9 Rh3 C73 132.5(5) . .
O7 Rh3 C73 97.6(5) . .
O8 Rh3 C73 140.9(5) . .
N12 Rh4 C81 166.8(5) 7_665 .
N12 Rh4 C80 135.7(4) 7_665 .
C81 Rh4 C80 39.6(5) . .
N12 Rh4 C83 99.3(4) 7_665 .
C81 Rh4 C83 67.4(5) . .
C80 Rh4 C83 65.5(5) . .
N12 Rh4 C82 128.5(5) 7_665 .
C81 Rh4 C82 40.6(6) . .
C80 Rh4 C82 65.6(5) . .
C83 Rh4 C82 39.0(5) . .
N12 Rh4 O10 85.1(3) 7_665 .
C81 Rh4 O10 102.4(5) . .
C80 Rh4 O10 138.7(4) . .
C83 Rh4 O10 123.5(4) . .
C82 Rh4 O10 96.4(4) . .
N12 Rh4 C79 102.8(4) 7_665 .
C81 Rh4 C79 66.9(5) . .
C80 Rh4 C79 39.0(5) . .
C83 Rh4 C79 39.0(5) . .
C82 Rh4 C79 65.4(5) . .
O10 Rh4 C79 161.3(4) . .
N12 Rh4 O11 86.0(3) 7_665 .
C81 Rh4 O11 106.1(5) . .
C80 Rh4 O11 95.9(4) . .
C83 Rh4 O11 158.2(4) . .
C82 Rh4 O11 144.8(5) . .
O10 Rh4 O11 77.8(3) . .
C79 Rh4 O11 119.3(4) . .
C116 Rh5 C114 66.7(4) . .
C116 Rh5 C113 64.9(4) . .
C114 Rh5 C113 40.5(5) . .
C116 Rh5 C115 40.4(5) . .
C114 Rh5 C115 39.0(4) . .
C113 Rh5 C115 65.8(5) . .
C116 Rh5 O14 106.8(4) . .
C114 Rh5 O14 118.8(4) . .
C113 Rh5 O14 159.0(4) . .
C115 Rh5 O14 95.1(4) . .
C116 Rh5 O13 105.1(4) . .
C114 Rh5 O13 162.5(4) . .
C113 Rh5 O13 122.3(4) . .
C115 Rh5 O13 141.6(4) . .
O14 Rh5 O13 78.0(3) . .
C116 Rh5 C117 38.2(4) . .
C114 Rh5 C117 67.2(5) . .
C113 Rh5 C117 39.0(4) . .
C115 Rh5 C117 66.2(5) . .
O14 Rh5 C117 142.6(4) . .
O13 Rh5 C117 96.6(4) . .
C116 Rh5 N15 165.5(4) . .
C114 Rh5 N15 100.4(3) . .
C113 Rh5 N15 101.1(3) . .
C115 Rh5 N15 132.1(4) . .
O14 Rh5 N15 84.9(3) . .
O13 Rh5 N15 85.4(3) . .
C117 Rh5 N15 131.9(4) . .
C127 Rh6 C126 39.6(5) . .
C127 Rh6 N18 131.5(5) . 7_656
C126 Rh6 N18 163.9(5) . 7_656
C127 Rh6 O16 142.7(5) . .
C126 Rh6 O16 106.1(5) . .
N18 Rh6 O16 85.4(3) 7_656 .
C127 Rh6 C124 63.5(7) . .
C126 Rh6 C124 64.7(7) . .
N18 Rh6 C124 99.6(5) 7_656 .
O16 Rh6 C124 123.3(7) . .
C127 Rh6 O17 96.8(5) . .
C126 Rh6 O17 107.4(6) . .
N18 Rh6 O17 85.7(3) 7_656 .
O16 Rh6 O17 78.5(3) . .
C124 Rh6 O17 157.7(7) . .
C127 Rh6 C123 37.1(6) . .
C126 Rh6 C123 64.4(6) . .
N18 Rh6 C123 101.2(4) 7_656 .
O16 Rh6 C123 160.7(5) . .
C124 Rh6 C123 38.0(7) . .
O17 Rh6 C123 119.8(6) . .
C127 Rh6 C125 64.9(7) . .
C126 Rh6 C125 38.4(7) . .
N18 Rh6 C125 130.5(8) 7_656 .
O16 Rh6 C125 97.1(5) . .
C124 Rh6 C125 39.4(7) . .
O17 Rh6 C125 143.4(8) . .
C123 Rh6 C125 64.8(7) . .
C7 N1 C1 131.8(9) . .
C7 N1 Pd1 115.5(7) . .
C1 N1 Pd1 112.6(6) . .
C9 N2 C2 130.4(8) . .
C9 N2 Pd1 116.7(7) . .
C2 N2 Pd1 112.8(6) . .
C15 N3 C11 116.9(9) . .
C15 N3 Rh1 121.9(7) . .
C11 N3 Rh1 120.6(7) . .
C16 N4 N5 120.7(8) . .
C19 N5 N4 119.9(8) . .
C20 N6 C24 117.1(8) . .
C20 N6 Rh2 120.2(7) . 7_566
C24 N6 Rh2 122.5(6) . 7_566
C51 N7 C45 130.9(9) . .
C51 N7 Pd2 114.1(8) . .
C45 N7 Pd2 115.0(7) . .
C53 N8 C46 130.0(9) . .
C53 N8 Pd2 116.7(7) . .
C46 N8 Pd2 113.0(7) . .
C59 N9 C55 116.1(9) . .
C59 N9 Rh3 123.9(7) . .
C55 N9 Rh3 119.7(7) . .
C60 N10 N11 118.7(8) . .
C63 N11 N10 119.9(8) . .
C68 N12 C64 115.8(8) . .
C68 N12 Rh4 122.8(6) . 7_665
C64 N12 Rh4 121.4(6) . 7_665
C95 N13 C89 129.7(9) . .
C95 N13 Pd3 117.3(7) . .
C89 N13 Pd3 112.8(7) . .
C97 N14 C90 129.6(9) . .
C97 N14 Pd3 116.6(7) . .
C90 N14 Pd3 113.8(7) . .
C99 N15 C103 119.0(9) . .
C99 N15 Rh5 120.2(7) . .
C103 N15 Rh5 120.7(7) . .
N17 N16 C104 119.4(9) . .
N16 N17 C107 120.4(9) . .
C108 N18 C112 118.5(9) . .
C108 N18 Rh6 121.2(8) . 7_656
C112 N18 Rh6 120.2(7) . 7_656
C7 O1 Rh1 111.6(6) . .
C8 O2 Rh1 113.3(6) . .
C8 O3 Pd1 109.0(6) . .
C9 O4 Rh2 111.0(6) . .
C10 O5 Rh2 114.9(6) . .
C10 O6 Pd1 109.7(6) . .
C51 O7 Rh3 111.4(6) . .
C52 O8 Rh3 113.9(7) . .
C52 O9 Pd2 108.6(6) . .
C53 O10 Rh4 111.8(6) . .
C54 O11 Rh4 114.8(6) . .
C54 O12 Pd2 109.0(6) . .
C95 O13 Rh5 111.8(6) . .
C96 O14 Rh5 113.9(7) . .
C96 O15 Pd3 109.0(7) . .
C97 O16 Rh6 113.3(7) . .
C98 O17 Rh6 115.6(7) . .
C98 O18 Pd3 110.1(7) . .
O20 S1 O19 118.6(10) . .
O20 S1 O21 107.0(10) . .
O19 S1 O21 112.8(12) . .
O20 S1 C133 111.7(9) . .
O19 S1 C133 105.9(9) . .
O21 S1 C133 99.3(10) . .
O24 S2 O22 114.2(11) . .
O24 S2 O23 106.3(12) . .
O22 S2 O23 113.2(13) . .
O24 S2 C134 115.8(11) . .
O22 S2 C134 105.9(10) . .
O23 S2 C134 100.9(11) . .
N1 C1 C6 124.9(10) . .
N1 C1 C2 116.7(9) . .
C6 C1 C2 118.4(10) . .
C3 C2 C1 122.5(9) . .
C3 C2 N2 124.2(9) . .
C1 C2 N2 113.3(9) . .
C2 C3 C4 117.7(10) . .
C2 C3 H3 121.1 . .
C4 C3 H3 121.1 . .
C5 C4 C3 121.2(11) . .
C5 C4 H4 119.4 . .
C3 C4 H4 119.4 . .
C4 C5 C6 120.4(11) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C5 C6 C1 119.6(11) . .
C5 C6 H6 120.2 . .
C1 C6 H6 120.2 . .
O1 C7 N1 128.0(10) . .
O1 C7 C8 119.1(9) . .
N1 C7 C8 112.9(9) . .
O2 C8 O3 124.2(10) . .
O2 C8 C7 116.5(9) . .
O3 C8 C7 119.3(9) . .
O4 C9 N2 128.7(9) . .
O4 C9 C10 120.2(9) . .
N2 C9 C10 111.0(8) . .
O5 C10 O6 125.2(9) . .
O5 C10 C9 114.9(8) . .
O6 C10 C9 119.9(9) . .
C12 C11 N3 121.0(9) . .
C12 C11 H11 119.5 . .
N3 C11 H11 119.5 . .
C11 C12 C13 122.0(9) . .
C11 C12 H12 119.0 . .
C13 C12 H12 119.0 . .
C12 C13 C14 116.5(10) . .
C12 C13 C16 122.2(9) . .
C14 C13 C16 121.3(9) . .
C15 C14 C13 118.6(9) . .
C15 C14 H14 120.7 . .
C13 C14 H14 120.7 . .
N3 C15 C14 124.6(9) . .
N3 C15 H15 117.7 . .
C14 C15 H15 117.7 . .
N4 C16 C17 121.3(10) . .
N4 C16 C13 114.4(8) . .
C17 C16 C13 124.2(9) . .
C18 C17 C16 118.5(10) . .
C18 C17 H17 120.8 . .
C16 C17 H17 120.8 . .
C17 C18 C19 117.3(10) . .
C17 C18 H18 121.4 . .
C19 C18 H18 121.4 . .
N5 C19 C18 122.2(10) . .
N5 C19 C22 116.3(8) . .
C18 C19 C22 121.4(9) . .
N6 C20 C21 122.5(10) . .
N6 C20 H20 118.7 . .
C21 C20 H20 118.7 . .
C20 C21 C22 120.5(9) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C21 C22 C23 115.9(9) . .
C21 C22 C19 120.6(8) . .
C23 C22 C19 123.5(9) . .
C24 C23 C22 120.5(10) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C24 N6 123.4(9) . .
C23 C24 H24 118.3 . .
N6 C24 H24 118.3 . .
C29 C25 C26 107.0(10) . .
C29 C25 C30 126.7(12) . .
C26 C25 C30 126.3(11) . .
C29 C25 Rh1 70.8(5) . .
C26 C25 Rh1 70.2(5) . .
C30 C25 Rh1 125.8(8) . .
C27 C26 C25 107.5(10) . .
C27 C26 C31 124.8(12) . .
C25 C26 C31 127.7(12) . .
C27 C26 Rh1 70.1(6) . .
C25 C26 Rh1 70.3(6) . .
C31 C26 Rh1 126.5(8) . .
C28 C27 C26 109.5(11) . .
C28 C27 C32 125.3(12) . .
C26 C27 C32 125.2(12) . .
C28 C27 Rh1 71.2(6) . .
C26 C27 Rh1 70.4(6) . .
C32 C27 Rh1 123.0(8) . .
C27 C28 C29 106.3(10) . .
C27 C28 C33 130.0(12) . .
C29 C28 C33 123.6(12) . .
C27 C28 Rh1 69.9(6) . .
C29 C28 Rh1 70.2(6) . .
C33 C28 Rh1 127.4(9) . .
C25 C29 C28 109.7(10) . .
C25 C29 C34 125.1(11) . .
C28 C29 C34 125.2(11) . .
C25 C29 Rh1 70.1(6) . .
C28 C29 Rh1 70.4(6) . .
C34 C29 Rh1 123.6(8) . .
C25 C30 H30A 109.5 . .
C25 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C25 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C26 C31 H31A 109.5 . .
C26 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C26 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C27 C32 H32A 109.5 . .
C27 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C27 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C28 C33 H33A 109.5 . .
C28 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C28 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C29 C34 H34A 109.5 . .
C29 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C29 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C39 C35 C36 108.5(11) . .
C39 C35 C40 123.7(16) . .
C36 C35 C40 127.8(15) . .
C39 C35 Rh2 72.9(7) . .
C36 C35 Rh2 71.1(7) . .
C40 C35 Rh2 123.2(9) . .
C35 C36 C37 108.5(11) . .
C35 C36 C41 127.2(14) . .
C37 C36 C41 124.2(14) . .
C35 C36 Rh2 70.2(6) . .
C37 C36 Rh2 70.7(6) . .
C41 C36 Rh2 122.9(9) . .
C36 C37 C38 105.9(12) . .
C36 C37 C42 126.5(14) . .
C38 C37 C42 127.5(15) . .
C36 C37 Rh2 70.4(6) . .
C38 C37 Rh2 69.8(7) . .
C42 C37 Rh2 127.9(8) . .
C39 C38 C37 109.5(11) . .
C39 C38 C43 126.2(15) . .
C37 C38 C43 124.1(15) . .
C39 C38 Rh2 73.1(7) . .
C37 C38 Rh2 71.2(7) . .
C43 C38 Rh2 125.8(8) . .
C38 C39 C35 107.5(12) . .
C38 C39 C44 124.1(16) . .
C35 C39 C44 128.1(15) . .
C38 C39 Rh2 68.9(7) . .
C35 C39 Rh2 69.0(7) . .
C44 C39 Rh2 121.6(8) . .
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 . .
C50 C45 N7 125.9(10) . .
C50 C45 C46 120.4(10) . .
N7 C45 C46 113.7(8) . .
C47 C46 C45 119.4(9) . .
C47 C46 N8 126.1(10) . .
C45 C46 N8 114.4(9) . .
C46 C47 C48 118.9(11) . .
C46 C47 H47 120.5 . .
C48 C47 H47 120.5 . .
C47 C48 C49 122.2(11) . .
C47 C48 H48 118.9 . .
C49 C48 H48 118.9 . .
C50 C49 C48 119.1(10) . .
C50 C49 H49 120.4 . .
C48 C49 H49 120.4 . .
C45 C50 C49 120.0(11) . .
C45 C50 H50 120.0 . .
C49 C50 H50 120.0 . .
O7 C51 N7 126.2(10) . .
O7 C51 C52 119.7(9) . .
N7 C51 C52 114.1(9) . .
O8 C52 O9 123.8(10) . .
O8 C52 C51 116.6(9) . .
O9 C52 C51 119.5(9) . .
O10 C53 N8 128.4(9) . .
O10 C53 C54 120.2(9) . .
N8 C53 C54 111.4(9) . .
O12 C54 O11 123.9(9) . .
O12 C54 C53 120.8(9) . .
O11 C54 C53 115.1(9) . .
C56 C55 N9 123.6(10) . .
C56 C55 H55 118.2 . .
N9 C55 H55 118.2 . .
C55 C56 C57 119.7(10) . .
C55 C56 H56 120.2 . .
C57 C56 H56 120.2 . .
C56 C57 C58 116.9(9) . .
C56 C57 C60 120.5(9) . .
C58 C57 C60 122.2(9) . .
C59 C58 C57 118.9(10) . .
C59 C58 H58 120.6 . .
C57 C58 H58 120.6 . .
N9 C59 C58 124.7(10) . .
N9 C59 H59 117.7 . .
C58 C59 H59 117.7 . .
N10 C60 C61 122.0(9) . .
N10 C60 C57 114.0(8) . .
C61 C60 C57 124.0(9) . .
C62 C61 C60 118.3(10) . .
C62 C61 H61 120.9 . .
C60 C61 H61 120.9 . .
C61 C62 C63 118.1(10) . .
C61 C62 H62 121.0 . .
C63 C62 H62 121.0 . .
N11 C63 C62 122.7(9) . .
N11 C63 C66 115.3(8) . .
C62 C63 C66 122.0(9) . .
C65 C64 N12 123.7(9) . .
C65 C64 H64 118.2 . .
N12 C64 H64 118.2 . .
C64 C65 C66 120.5(9) . .
C64 C65 H65 119.8 . .
C66 C65 H65 119.8 . .
C65 C66 C67 116.0(8) . .
C65 C66 C63 122.6(8) . .
C67 C66 C63 121.3(8) . .
C68 C67 C66 120.6(9) . .
C68 C67 H67 119.7 . .
C66 C67 H67 119.7 . .
N12 C68 C67 123.3(9) . .
N12 C68 H68 118.4 . .
C67 C68 H68 118.4 . .
C70 C69 C73 108.7(12) . .
C70 C69 C74 125.8(17) . .
C73 C69 C74 125.4(16) . .
C70 C69 Rh3 69.5(7) . .
C73 C69 Rh3 71.7(7) . .
C74 C69 Rh3 127.5(9) . .
C69 C70 C71 109.4(14) . .
C69 C70 C75 128.4(15) . .
C71 C70 C75 122.1(15) . .
C69 C70 Rh3 73.0(9) . .
C71 C70 Rh3 70.1(7) . .
C75 C70 Rh3 126.6(11) . .
C72 C71 C70 106.5(11) . .
C72 C71 C76 124.6(12) . .
C70 C71 C76 128.7(14) . .
C72 C71 Rh3 71.5(6) . .
C70 C71 Rh3 69.8(7) . .
C76 C71 Rh3 126.4(9) . .
C71 C72 C73 109.0(12) . .
C71 C72 C77 126.9(11) . .
C73 C72 C77 124.0(14) . .
C71 C72 Rh3 69.4(6) . .
C73 C72 Rh3 72.6(7) . .
C77 C72 Rh3 127.9(9) . .
C72 C73 C78 126.6(17) . .
C72 C73 C69 106.5(13) . .
C78 C73 C69 126.8(15) . .
C72 C73 Rh3 69.0(7) . .
C78 C73 Rh3 123.8(11) . .
C69 C73 Rh3 69.1(7) . .
C69 C74 H74A 109.5 . .
C69 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C69 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C70 C75 H75A 109.5 . .
C70 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C70 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C71 C76 H76A 109.5 . .
C71 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C71 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C72 C77 H77A 109.5 . .
C72 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C72 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C73 C78 H78A 109.5 . .
C73 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C73 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C83 C79 C80 107.9(13) . .
C83 C79 C84 127.3(15) . .
C80 C79 C84 124.8(14) . .
C83 C79 Rh4 70.2(7) . .
C80 C79 Rh4 70.2(7) . .
C84 C79 Rh4 126.9(8) . .
C79 C80 C81 110.3(13) . .
C79 C80 C85 128.7(15) . .
C81 C80 C85 120.6(15) . .
C79 C80 Rh4 70.8(7) . .
C81 C80 Rh4 70.1(7) . .
C85 C80 Rh4 120.4(9) . .
C80 C81 C82 104.6(13) . .
C80 C81 C86 129.9(18) . .
C82 C81 C86 125.4(17) . .
C80 C81 Rh4 70.4(6) . .
C82 C81 Rh4 70.0(7) . .
C86 C81 Rh4 126.5(11) . .
C83 C82 C81 108.9(12) . .
C83 C82 C87 121.2(14) . .
C81 C82 C87 129.8(14) . .
C83 C82 Rh4 70.3(6) . .
C81 C82 Rh4 69.4(7) . .
C87 C82 Rh4 124.4(9) . .
C79 C83 C82 108.3(12) . .
C79 C83 C88 123.4(15) . .
C82 C83 C88 128.1(14) . .
C79 C83 Rh4 70.8(7) . .
C82 C83 Rh4 70.6(7) . .
C88 C83 Rh4 129.1(9) . .
C79 C84 H84A 109.5 . .
C79 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C79 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C80 C85 H85A 109.5 . .
C80 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C80 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C81 C86 H86A 109.5 . .
C81 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C81 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C82 C87 H87A 109.5 . .
C82 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C82 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C83 C88 H88A 109.5 . .
C83 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C83 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C90 C89 C94 119.9(11) . .
C90 C89 N13 115.4(9) . .
C94 C89 N13 124.7(10) . .
C91 C90 C89 121.7(10) . .
C91 C90 N14 124.3(10) . .
C89 C90 N14 114.1(9) . .
C90 C91 C92 117.8(12) . .
C90 C91 H91 121.1 . .
C92 C91 H91 121.1 . .
C93 C92 C91 122.2(13) . .
C93 C92 H92 118.9 . .
C91 C92 H92 118.9 . .
C92 C93 C94 119.3(12) . .
C92 C93 H93 120.4 . .
C94 C93 H93 120.4 . .
C93 C94 C89 119.2(11) . .
C93 C94 H94 120.4 . .
C89 C94 H94 120.4 . .
O13 C95 N13 129.1(9) . .
O13 C95 C96 120.0(9) . .
N13 C95 C96 110.8(9) . .
O14 C96 O15 124.1(10) . .
O14 C96 C95 115.9(9) . .
O15 C96 C95 120.0(10) . .
O16 C97 N14 130.7(11) . .
O16 C97 C98 119.0(10) . .
N14 C97 C98 110.3(10) . .
O18 C98 O17 126.3(11) . .
O18 C98 C97 120.2(10) . .
O17 C98 C97 113.5(10) . .
N15 C99 C100 122.1(10) . .
N15 C99 H99 118.9 . .
C100 C99 H99 118.9 . .
C101 C100 C99 120.0(10) . .
C101 C100 H100 120.0 . .
C99 C100 H100 120.0 . .
C100 C101 C102 118.1(9) . .
C100 C101 C104 122.0(9) . .
C102 C101 C104 119.9(9) . .
C103 C102 C101 118.6(10) . .
C103 C102 H102 120.7 . .
C101 C102 H102 120.7 . .
N15 C103 C102 121.7(10) . .
N15 C103 H103 119.1 . .
C102 C103 H103 119.1 . .
N16 C104 C105 121.1(10) . .
N16 C104 C101 115.1(9) . .
C105 C104 C101 123.6(10) . .
C106 C105 C104 118.0(11) . .
C106 C105 H105 121.0 . .
C104 C105 H105 121.0 . .
C105 C106 C107 118.8(10) . .
C105 C106 H106 120.6 . .
C107 C106 H106 120.6 . .
N17 C107 C106 122.1(9) . .
N17 C107 C110 113.7(9) . .
C106 C107 C110 124.2(9) . .
N18 C108 C109 122.6(10) . .
N18 C108 H108 118.7 . .
C109 C108 H108 118.7 . .
C108 C109 C110 119.8(10) . .
C108 C109 H109 120.1 . .
C110 C109 H109 120.1 . .
C109 C110 C111 116.0(9) . .
C109 C110 C107 122.1(9) . .
C111 C110 C107 121.8(9) . .
C112 C111 C110 120.4(11) . .
C112 C111 H111 119.8 . .
C110 C111 H111 119.8 . .
N18 C112 C111 122.5(10) . .
N18 C112 H112 118.7 . .
C111 C112 H112 118.7 . .
C117 C113 C114 109.1(10) . .
C117 C113 C118 124.8(12) . .
C114 C113 C118 126.0(11) . .
C117 C113 Rh5 71.4(6) . .
C114 C113 Rh5 69.3(6) . .
C118 C113 Rh5 128.2(8) . .
C115 C114 C113 106.5(10) . .
C115 C114 C119 126.8(13) . .
C113 C114 C119 126.4(11) . .
C115 C114 Rh5 71.1(6) . .
C113 C114 Rh5 70.2(6) . .
C119 C114 Rh5 129.2(8) . .
C114 C115 C116 107.4(10) . .
C114 C115 C120 125.5(14) . .
C116 C115 C120 127.0(13) . .
C114 C115 Rh5 69.9(6) . .
C116 C115 Rh5 69.0(6) . .
C120 C115 Rh5 124.5(9) . .
C117 C116 C115 109.8(10) . .
C117 C116 C121 125.6(13) . .
C115 C116 C121 124.6(12) . .
C117 C116 Rh5 72.5(6) . .
C115 C116 Rh5 70.7(6) . .
C121 C116 Rh5 124.5(9) . .
C116 C117 C113 107.2(11) . .
C116 C117 C122 127.2(11) . .
C113 C117 C122 125.6(12) . .
C116 C117 Rh5 69.2(7) . .
C113 C117 Rh5 69.6(6) . .
C122 C117 Rh5 125.5(10) . .
C113 C118 H11A 109.5 . .
C113 C118 H11B 109.5 . .
H11A C118 H11B 109.5 . .
C113 C118 H11C 109.5 . .
H11A C118 H11C 109.5 . .
H11B C118 H11C 109.5 . .
C114 C119 H11D 109.5 . .
C114 C119 H11E 109.5 . .
H11D C119 H11E 109.5 . .
C114 C119 H11F 109.5 . .
H11D C119 H11F 109.5 . .
H11E C119 H11F 109.5 . .
C115 C120 H12A 109.5 . .
C115 C120 H12B 109.5 . .
H12A C120 H12B 109.5 . .
C115 C120 H12C 109.5 . .
H12A C120 H12C 109.5 . .
H12B C120 H12C 109.5 . .
C116 C121 H12D 109.5 . .
C116 C121 H12E 109.5 . .
H12D C121 H12E 109.5 . .
C116 C121 H12F 109.5 . .
H12D C121 H12F 109.5 . .
H12E C121 H12F 109.5 . .
C117 C122 H12G 109.5 . .
C117 C122 H12H 109.5 . .
H12G C122 H12H 109.5 . .
C117 C122 H12I 109.5 . .
H12G C122 H12I 109.5 . .
H12H C122 H12I 109.5 . .
C127 C123 C124 108.5(15) . .
C127 C123 C128 127.4(19) . .
C124 C123 C128 124.0(18) . .
C127 C123 Rh6 69.7(9) . .
C124 C123 Rh6 70.3(9) . .
C128 C123 Rh6 128.9(10) . .
C123 C124 C125 108.5(19) . .
C123 C124 C129 126.6(19) . .
C125 C124 C129 125(2) . .
C123 C124 Rh6 71.7(10) . .
C125 C124 Rh6 71.1(9) . .
C129 C124 Rh6 125.8(11) . .
C126 C125 C124 105.7(18) . .
C126 C125 C130 128(2) . .
C124 C125 C130 126(3) . .
C126 C125 Rh6 69.2(10) . .
C124 C125 Rh6 69.5(8) . .
C130 C125 Rh6 123.4(13) . .
C125 C126 C127 107.7(15) . .
C125 C126 C131 128(2) . .
C127 C126 C131 124(2) . .
C125 C126 Rh6 72.4(9) . .
C127 C126 Rh6 70.0(8) . .
C131 C126 Rh6 125.7(14) . .
C123 C127 C126 109.4(15) . .
C123 C127 C132 125.9(18) . .
C126 C127 C132 124.6(19) . .
C123 C127 Rh6 73.2(9) . .
C126 C127 Rh6 70.5(9) . .
C132 C127 Rh6 122.8(12) . .
C123 C128 H12J 109.5 . .
C123 C128 H12K 109.5 . .
H12J C128 H12K 109.5 . .
C123 C128 H12L 109.5 . .
H12J C128 H12L 109.5 . .
H12K C128 H12L 109.5 . .
C124 C129 H12M 109.5 . .
C124 C129 H12N 109.5 . .
H12M C129 H12N 109.5 . .
C124 C129 H12O 109.5 . .
H12M C129 H12O 109.5 . .
H12N C129 H12O 109.5 . .
C125 C130 H13A 109.5 . .
C125 C130 H13B 109.5 . .
H13A C130 H13B 109.5 . .
C125 C130 H13C 109.5 . .
H13A C130 H13C 109.5 . .
H13B C130 H13C 109.5 . .
C126 C131 H13D 109.5 . .
C126 C131 H13E 109.5 . .
H13D C131 H13E 109.5 . .
C126 C131 H13F 109.5 . .
H13D C131 H13F 109.5 . .
H13E C131 H13F 109.5 . .
C127 C132 H13G 109.5 . .
C127 C132 H13H 109.5 . .
H13G C132 H13H 109.5 . .
C127 C132 H13I 109.5 . .
H13G C132 H13I 109.5 . .
H13H C132 H13I 109.5 . .
F2 C133 F1 109.7(18) . .
F2 C133 F3 106.5(17) . .
F1 C133 F3 108.2(18) . .
F2 C133 S1 114.7(14) . .
F1 C133 S1 107.7(14) . .
F3 C133 S1 109.8(14) . .
F4 C134 F5 117(3) . .
F4 C134 F6 112(2) . .
F5 C134 F6 106.4(18) . .
F4 C134 S2 105.3(16) . .
F5 C134 S2 107.3(19) . .
F6 C134 S2 108.9(18) . .
F7 C135 F9 116(2) . .
F7 C135 F8 107(2) . .
F9 C135 F8 108(2) . .
F7 C135 S3' 124.0(18) . .
F9 C135 S3' 92.2(17) . .
F8 C135 S3' 108.3(15) . .
F7 C135 S3 112.6(16) . .
F9 C135 S3 108.4(15) . .
F8 C135 S3 104.0(13) . .
O26 S3 O25 126.2(16) . .
O26 S3 O27 103.7(19) . .
O25 S3 O27 110.6(14) . .
O26 S3 C135 110.5(12) . .
O25 S3 C135 99.4(11) . .
O27 S3 C135 104.9(12) . .
O26' S3' O27' 126(3) . .
O26' S3' O25 105(3) . .
O27' S3' O25 126(3) . .
O26' S3' C135 108(3) . .
O27' S3' C135 79(2) . .
O25 S3' C135 101.3(15) . .
F10 S4 F11 139(3) . .
F10 S4 O28 12(3) . .
F11 S4 O28 144(4) . .
F10 S4 O29 135(3) . .
F11 S4 O29 50.8(17) . .
O28 S4 O29 125(2) . .
F10 S4 O30 100(3) . .
F11 S4 O30 62.1(16) . .
O28 S4 O30 112.4(19) . .
O29 S4 O30 112.5(17) . .
F10 S4 S4 111(3) . 7_557
F11 S4 S4 108.5(19) . 7_557
O28 S4 S4 108(4) . 7_557
O29 S4 S4 91.0(18) . 7_557
O30 S4 S4 103.7(18) . 7_557
F10 S4 F12 101(2) . .
F11 S4 F12 92(2) . .
O28 S4 F12 89(2) . .
O29 S4 F12 42.1(16) . .
O30 S4 F12 154.5(17) . .
S4 S4 F12 82.2(15) 7_557 .
F10 S4 C136 110(3) . 7_557
F11 S4 C136 107.6(14) . 7_557
O28 S4 C136 109(3) . 7_557
O29 S4 C136 100.1(14) . 7_557
O30 S4 C136 92.1(16) . 7_557
S4 S4 C136 12.6(11) 7_557 7_557
F12 S4 C136 94.8(13) . 7_557
C136 O28 S4 16.7(15) . .
C136 O29 F12 72(2) . .
C136 O29 F11 73.1(18) . .
F12 O29 F11 144(3) . .
C136 O29 S4 14.3(17) . .
F12 O29 S4 84(2) . .
F11 O29 S4 61.3(16) . .
F11 O30 S4 54.9(12) . .
F11 O30 C136 49.0(10) . .
S4 O30 C136 6.9(14) . .
O29 C136 F12 55(2) . .
O29 C136 F11 54(2) . .
F12 C136 F11 109(3) . .
O29 C136 F10 162(4) . .
F12 C136 F10 119(3) . .
F11 C136 F10 127(3) . .
O29 C136 O28 155(4) . .
F12 C136 O28 106(2) . .
F11 C136 O28 138(4) . .
F10 C136 O28 12(3) . .
O29 C136 O30 105(2) . .
F12 C136 O30 159(2) . .
F11 C136 O30 51.5(16) . .
F10 C136 O30 82(2) . .
O28 C136 O30 95(2) . .
O29 C136 S4 95(3) . 7_557
F12 C136 S4 89.7(18) . 7_557
F11 C136 S4 100.4(18) . 7_557
F10 C136 S4 102(3) . 7_557
O28 C136 S4 102(3) . 7_557
O30 C136 S4 86.8(15) . 7_557
O29 C136 C136 100(3) . 7_557
F12 C136 C136 100(2) . 7_557
F11 C136 C136 96(2) . 7_557
F10 C136 C136 97(3) . 7_557
O28 C136 C136 99(4) . 7_557
O30 C136 C136 76.6(18) . 7_557
S4 C136 C136 10.7(10) 7_557 7_557
S4 F10 C136 17.0(16) . .
O29 F11 S4 67.9(15) . .
O29 F11 C136 53(2) . .
S4 F11 C136 17.1(15) . .
O29 F11 O30 130(2) . .
S4 F11 O30 63.0(15) . .
C136 F11 O30 79.5(19) . .
O29 F12 C136 53.5(19) . .
O29 F12 S4 53.6(12) . .
C136 F12 S4 5.1(17) . .
O37 S7 C139 133(3) . .
O37 S7 C140 99(2) . .
C139 S7 C140 90(3) . .
S7 C139 H139 109.5 . .
S7 C139 H13J 109.5 . .
H139 C139 H13J 109.5 . .
S7 C139 H13K 109.5 . .
H139 C139 H13K 109.5 . .
H13J C139 H13K 109.5 . .
S7 C140 H14A 109.5 . .
S7 C140 H14B 109.5 . .
H14A C140 H14B 109.5 . .
S7 C140 H14C 109.5 . .
H14A C140 H14C 109.5 . .
H14B C140 H14C 109.5 . .
O37' S7' C240 98(2) . .
O37' S7' C239 96(2) . .
C240 S7' C239 98(3) . .
S7' C239 H23A 109.5 . .
S7' C239 H23B 109.5 . .
H23A C239 H23B 109.5 . .
S7' C239 H23C 109.5 . .
H23A C239 H23C 109.5 . .
H23B C239 H23C 109.5 . .
S7' C240 H24A 109.5 . .
S7' C240 H24B 109.5 . .
H24A C240 H24B 109.5 . .
S7' C240 H24C 109.5 . .
H24A C240 H24C 109.5 . .
H24B C240 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N2 1.939(7) .
Pd1 N1 1.944(8) .
Pd1 O6 2.058(7) .
Pd1 O3 2.083(6) .
Pd2 N7 1.928(8) .
Pd2 N8 1.930(9) .
Pd2 O9 2.080(7) .
Pd2 O12 2.086(6) .
Pd3 N13 1.921(8) .
Pd3 N14 1.953(8) .
Pd3 O18 2.069(7) .
Pd3 O15 2.092(7) .
Rh1 C27 2.132(11) .
Rh1 C26 2.135(10) .
Rh1 C25 2.136(9) .
Rh1 N3 2.142(8) .
Rh1 O1 2.144(7) .
Rh1 C29 2.145(10) .
Rh1 O2 2.148(7) .
Rh1 C28 2.149(10) .
Rh2 C38 2.114(11) .
Rh2 N6 2.116(8) 7_566
Rh2 C35 2.117(11) .
Rh2 C36 2.128(10) .
Rh2 C37 2.132(11) .
Rh2 O5 2.137(6) .
Rh2 O4 2.138(7) .
Rh2 C39 2.167(12) .
Rh3 C70 2.086(14) .
Rh3 C71 2.090(10) .
Rh3 C72 2.117(10) .
Rh3 C69 2.129(12) .
Rh3 N9 2.142(8) .
Rh3 O7 2.142(7) .
Rh3 O8 2.163(7) .
Rh3 C73 2.165(12) .
Rh4 N12 2.096(8) 7_665
Rh4 C81 2.129(12) .
Rh4 C80 2.133(11) .
Rh4 C83 2.134(12) .
Rh4 C82 2.138(11) .
Rh4 O10 2.141(7) .
Rh4 C79 2.142(13) .
Rh4 O11 2.142(7) .
Rh5 C116 2.112(10) .
Rh5 C114 2.120(10) .
Rh5 C113 2.132(11) .
Rh5 C115 2.135(11) .
Rh5 O14 2.141(7) .
Rh5 O13 2.152(7) .
Rh5 C117 2.155(12) .
Rh5 N15 2.157(8) .
Rh6 C127 2.113(14) .
Rh6 C126 2.119(15) .
Rh6 N18 2.120(8) 7_656
Rh6 O16 2.137(8) .
Rh6 C124 2.139(15) .
Rh6 O17 2.144(8) .
Rh6 C123 2.156(15) .
Rh6 C125 2.161(15) .
N1 C7 1.301(12) .
N1 C1 1.393(13) .
N2 C9 1.305(12) .
N2 C2 1.438(12) .
N3 C15 1.326(13) .
N3 C11 1.379(13) .
N4 C16 1.330(12) .
N4 N5 1.337(11) .
N5 C19 1.322(12) .
N6 C20 1.323(12) .
N6 C24 1.373(13) .
N6 Rh2 2.116(8) 7_566
N7 C51 1.331(13) .
N7 C45 1.408(13) .
N8 C53 1.321(13) .
N8 C46 1.444(12) .
N9 C59 1.308(13) .
N9 C55 1.373(13) .
N10 C60 1.349(12) .
N10 N11 1.350(11) .
N11 C63 1.313(12) .
N12 C68 1.351(12) .
N12 C64 1.374(12) .
N12 Rh4 2.096(8) 7_665
N13 C95 1.334(13) .
N13 C89 1.440(14) .
N14 C97 1.302(13) .
N14 C90 1.407(13) .
N15 C99 1.332(13) .
N15 C103 1.339(13) .
N16 N17 1.314(12) .
N16 C104 1.348(13) .
N17 C107 1.335(12) .
N18 C108 1.328(13) .
N18 C112 1.330(14) .
N18 Rh6 2.120(8) 7_656
O1 C7 1.263(12) .
O2 C8 1.248(12) .
O3 C8 1.257(12) .
O4 C9 1.273(12) .
O5 C10 1.245(11) .
O6 C10 1.252(12) .
O7 C51 1.291(12) .
O8 C52 1.252(11) .
O9 C52 1.267(11) .
O10 C53 1.266(12) .
O11 C54 1.260(11) .
O12 C54 1.247(11) .
O13 C95 1.224(11) .
O14 C96 1.241(13) .
O15 C96 1.271(12) .
O16 C97 1.255(13) .
O17 C98 1.274(13) .
O18 C98 1.221(13) .
O19 S1 1.416(13) .
O20 S1 1.388(11) .
O21 S1 1.529(13) .
O22 S2 1.429(12) .
O23 S2 1.480(11) .
O24 S2 1.296(14) .
S1 C133 1.791(18) .
S2 C134 1.74(3) .
F1 C133 1.31(2) .
F2 C133 1.303(19) .
F3 C133 1.34(2) .
F4 C134 1.22(3) .
F5 C134 1.29(2) .
F6 C134 1.369(17) .
C1 C6 1.400(15) .
C1 C2 1.419(14) .
C2 C3 1.367(14) .
C3 C4 1.408(15) .
C3 H3 0.9400 .
C4 C5 1.388(17) .
C4 H4 0.9400 .
C5 C6 1.391(16) .
C5 H5 0.9400 .
C6 H6 0.9400 .
C7 C8 1.551(14) .
C9 C10 1.537(14) .
C11 C12 1.350(14) .
C11 H11 0.9400 .
C12 C13 1.393(13) .
C12 H12 0.9400 .
C13 C14 1.393(14) .
C13 C16 1.487(14) .
C14 C15 1.374(15) .
C14 H14 0.9400 .
C15 H15 0.9400 .
C16 C17 1.388(14) .
C17 C18 1.372(16) .
C17 H17 0.9400 .
C18 C19 1.398(14) .
C18 H18 0.9400 .
C19 C22 1.513(13) .
C20 C21 1.372(15) .
C20 H20 0.9400 .
C21 C22 1.397(14) .
C21 H21 0.9400 .
C22 C23 1.401(13) .
C23 C24 1.325(15) .
C23 H23 0.9400 .
C24 H24 0.9400 .
C25 C29 1.431(15) .
C25 C26 1.445(17) .
C25 C30 1.491(16) .
C26 C27 1.443(16) .
C26 C31 1.535(18) .
C27 C28 1.424(17) .
C27 C32 1.492(18) .
C28 C29 1.447(16) .
C28 C33 1.511(17) .
C29 C34 1.473(17) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 H31C 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 H33C 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 H34C 0.9700 .
C35 C39 1.397(19) .
C35 C36 1.404(19) .
C35 C40 1.503(19) .
C36 C37 1.418(17) .
C36 C41 1.496(19) .
C37 C38 1.419(18) .
C37 C42 1.456(18) .
C38 C39 1.395(18) .
C38 C43 1.563(19) .
C39 C44 1.57(2) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C40 H40C 0.9700 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C41 H41C 0.9700 .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C42 H42C 0.9700 .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C43 H43C 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C44 H44C 0.9700 .
C45 C50 1.375(13) .
C45 C46 1.417(14) .
C46 C47 1.373(14) .
C47 C48 1.378(14) .
C47 H47 0.9400 .
C48 C49 1.384(16) .
C48 H48 0.9400 .
C49 C50 1.376(16) .
C49 H49 0.9400 .
C50 H50 0.9400 .
C51 C52 1.506(15) .
C53 C54 1.515(13) .
C55 C56 1.352(14) .
C55 H55 0.9400 .
C56 C57 1.397(14) .
C56 H56 0.9400 .
C57 C58 1.399(14) .
C57 C60 1.503(13) .
C58 C59 1.381(14) .
C58 H58 0.9400 .
C59 H59 0.9400 .
C60 C61 1.369(15) .
C61 C62 1.358(15) .
C61 H61 0.9400 .
C62 C63 1.373(14) .
C62 H62 0.9400 .
C63 C66 1.497(12) .
C64 C65 1.368(13) .
C64 H64 0.9400 .
C65 C66 1.398(13) .
C65 H65 0.9400 .
C66 C67 1.403(13) .
C67 C68 1.384(13) .
C67 H67 0.9400 .
C68 H68 0.9400 .
C69 C70 1.36(2) .
C69 C73 1.44(2) .
C69 C74 1.509(19) .
C70 C71 1.432(17) .
C70 C75 1.57(2) .
C71 C72 1.408(17) .
C71 C76 1.489(17) .
C72 C73 1.408(17) .
C72 C77 1.493(17) .
C73 C78 1.44(2) .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
C74 H74C 0.9700 .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C75 H75C 0.9700 .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C76 H76C 0.9700 .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C77 H77C 0.9700 .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C78 H78C 0.9700 .
C79 C83 1.427(18) .
C79 C80 1.427(19) .
C79 C84 1.481(18) .
C80 C81 1.44(2) .
C80 C85 1.50(2) .
C81 C82 1.48(2) .
C81 C86 1.49(2) .
C82 C83 1.427(19) .
C82 C87 1.56(2) .
C83 C88 1.450(19) .
C84 H84A 0.9700 .
C84 H84B 0.9700 .
C84 H84C 0.9700 .
C85 H85A 0.9700 .
C85 H85B 0.9700 .
C85 H85C 0.9700 .
C86 H86A 0.9700 .
C86 H86B 0.9700 .
C86 H86C 0.9700 .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C87 H87C 0.9700 .
C88 H88A 0.9700 .
C88 H88B 0.9700 .
C88 H88C 0.9700 .
C89 C90 1.401(15) .
C89 C94 1.402(15) .
C90 C91 1.368(16) .
C91 C92 1.407(18) .
C91 H91 0.9400 .
C92 C93 1.385(18) .
C92 H92 0.9400 .
C93 C94 1.397(17) .
C93 H93 0.9400 .
C94 H94 0.9400 .
C95 C96 1.545(14) .
C97 C98 1.591(16) .
C99 C100 1.379(14) .
C99 H99 0.9400 .
C100 C101 1.361(14) .
C100 H100 0.9400 .
C101 C102 1.406(14) .
C101 C104 1.500(14) .
C102 C103 1.388(14) .
C102 H102 0.9400 .
C103 H103 0.9400 .
C104 C105 1.389(15) .
C105 C106 1.349(15) .
C105 H105 0.9400 .
C106 C107 1.350(15) .
C106 H106 0.9400 .
C107 C110 1.513(14) .
C108 C109 1.382(13) .
C108 H108 0.9400 .
C109 C110 1.387(14) .
C109 H109 0.9400 .
C110 C111 1.411(14) .
C111 C112 1.356(15) .
C111 H111 0.9400 .
C112 H112 0.9400 .
C113 C117 1.430(16) .
C113 C114 1.473(17) .
C113 C118 1.483(17) .
C114 C115 1.420(15) .
C114 C119 1.493(17) .
C115 C116 1.465(17) .
C115 C120 1.47(2) .
C116 C117 1.399(17) .
C116 C121 1.534(16) .
C117 C122 1.476(19) .
C118 H11A 0.9700 .
C118 H11B 0.9700 .
C118 H11C 0.9700 .
C119 H11D 0.9700 .
C119 H11E 0.9700 .
C119 H11F 0.9700 .
C120 H12A 0.9700 .
C120 H12B 0.9700 .
C120 H12C 0.9700 .
C121 H12D 0.9700 .
C121 H12E 0.9700 .
C121 H12F 0.9700 .
C122 H12G 0.9700 .
C122 H12H 0.9700 .
C122 H12I 0.9700 .
C123 C127 1.36(2) .
C123 C124 1.40(3) .
C123 C128 1.46(2) .
C124 C125 1.45(2) .
C124 C129 1.51(3) .
C125 C126 1.41(3) .
C125 C130 1.46(3) .
C126 C127 1.432(16) .
C126 C131 1.541(16) .
C127 C132 1.529(17) .
C128 H12J 0.9700 .
C128 H12K 0.9700 .
C128 H12L 0.9700 .
C129 H12M 0.9700 .
C129 H12N 0.9700 .
C129 H12O 0.9700 .
C130 H13A 0.9700 .
C130 H13B 0.9700 .
C130 H13C 0.9700 .
C131 H13D 0.9700 .
C131 H13E 0.9700 .
C131 H13F 0.9700 .
C132 H13G 0.9700 .
C132 H13H 0.9700 .
C132 H13I 0.9700 .
C135 F7 1.320(16) .
C135 F9 1.334(16) .
C135 F8 1.359(16) .
C135 S3' 1.757(19) .
C135 S3 1.786(17) .
O25 S3' 1.446(18) .
O25 S3 1.459(14) .
S3 O26 1.450(15) .
S3 O27 1.483(15) .
S3' O26' 1.41(2) .
S3' O27' 1.435(19) .
S4 F10 1.32(3) .
S4 F11 1.33(3) .
S4 O28 1.409(17) .
S4 O29 1.410(16) .
S4 O30 1.454(16) .
S4 S4 1.73(4) 7_557
S4 F12 1.74(3) .
S4 C136 1.843(18) 7_557
O28 C136 1.41(4) .
O29 C136 1.15(4) .
O29 F12 1.17(4) .
O29 F11 1.18(3) .
O30 F11 1.44(3) .
O30 C136 1.81(3) .
C136 F12 1.359(19) .
C136 F11 1.390(19) .
C136 F10 1.394(19) .
C136 S4 1.843(18) 7_557
C136 C136 2.03(6) 7_557
S7 O37 1.56(4) .
S7 C139 1.85(3) .
S7 C140 1.86(2) .
C139 H139 0.9700 .
C139 H13J 0.9700 .
C139 H13K 0.9700 .
C140 H14A 0.9700 .
C140 H14B 0.9700 .
C140 H14C 0.9700 .
S7' O37' 1.47(3) .
S7' C240 1.82(3) .
S7' C239 1.87(3) .
C239 H23A 0.9700 .
C239 H23B 0.9700 .
C239 H23C 0.9700 .
C240 H24A 0.9700 .
C240 H24B 0.9700 .
C240 H24C 0.9700 .
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_4
C16 N4 N5 C19 -0.3(14) . .
C60 N10 N11 C63 -0.1(15) . .
C104 N16 N17 C107 0.1(15) . .
C7 N1 C1 C6 -1.0(19) . .
Pd1 N1 C1 C6 -177.6(9) . .
C7 N1 C1 C2 177.1(11) . .
Pd1 N1 C1 C2 0.5(12) . .
N1 C1 C2 C3 179.6(10) . .
C6 C1 C2 C3 -2.2(17) . .
N1 C1 C2 N2 -0.3(14) . .
C6 C1 C2 N2 177.9(10) . .
C9 N2 C2 C3 1.0(18) . .
Pd1 N2 C2 C3 -179.9(9) . .
C9 N2 C2 C1 -179.1(10) . .
Pd1 N2 C2 C1 0.0(11) . .
C1 C2 C3 C4 -0.5(17) . .
N2 C2 C3 C4 179.4(10) . .
C2 C3 C4 C5 2.8(18) . .
C3 C4 C5 C6 -2(2) . .
C4 C5 C6 C1 0(2) . .
N1 C1 C6 C5 -179.4(11) . .
C2 C1 C6 C5 2.6(17) . .
Rh1 O1 C7 N1 -172.7(9) . .
Rh1 O1 C7 C8 4.7(11) . .
C1 N1 C7 O1 -1.0(19) . .
Pd1 N1 C7 O1 175.5(8) . .
C1 N1 C7 C8 -178.5(10) . .
Pd1 N1 C7 C8 -2.0(11) . .
Rh1 O2 C8 O3 172.1(8) . .
Rh1 O2 C8 C7 -8.1(11) . .
Pd1 O3 C8 O2 -178.4(8) . .
Pd1 O3 C8 C7 1.7(11) . .
O1 C7 C8 O2 2.4(14) . .
N1 C7 C8 O2 -179.8(9) . .
O1 C7 C8 O3 -177.7(9) . .
N1 C7 C8 O3 0.0(14) . .
Rh2 O4 C9 N2 -179.2(9) . .
Rh2 O4 C9 C10 4.1(11) . .
C2 N2 C9 O4 -1.4(18) . .
Pd1 N2 C9 O4 179.5(8) . .
C2 N2 C9 C10 175.5(10) . .
Pd1 N2 C9 C10 -3.6(11) . .
Rh2 O5 C10 O6 171.7(8) . .
Rh2 O5 C10 C9 -6.8(11) . .
Pd1 O6 C10 O5 176.5(9) . .
Pd1 O6 C10 C9 -5.1(12) . .
O4 C9 C10 O5 1.8(14) . .
N2 C9 C10 O5 -175.4(9) . .
O4 C9 C10 O6 -176.8(9) . .
N2 C9 C10 O6 6.0(14) . .
C15 N3 C11 C12 -3.8(14) . .
Rh1 N3 C11 C12 168.2(8) . .
N3 C11 C12 C13 0.0(15) . .
C11 C12 C13 C14 5.2(15) . .
C11 C12 C13 C16 -172.4(9) . .
C12 C13 C14 C15 -6.5(14) . .
C16 C13 C14 C15 171.1(9) . .
C11 N3 C15 C14 2.3(15) . .
Rh1 N3 C15 C14 -169.5(8) . .
C13 C14 C15 N3 2.9(16) . .
N5 N4 C16 C17 -1.8(15) . .
N5 N4 C16 C13 175.6(8) . .
C12 C13 C16 N4 19.8(13) . .
C14 C13 C16 N4 -157.7(9) . .
C12 C13 C16 C17 -162.9(11) . .
C14 C13 C16 C17 19.6(15) . .
N4 C16 C17 C18 1.0(18) . .
C13 C16 C17 C18 -176.1(11) . .
C16 C17 C18 C19 1.6(19) . .
N4 N5 C19 C18 3.1(16) . .
N4 N5 C19 C22 -179.9(8) . .
C17 C18 C19 N5 -3.7(19) . .
C17 C18 C19 C22 179.5(11) . .
C24 N6 C20 C21 1.0(14) . .
Rh2 N6 C20 C21 175.7(8) 7_566 .
N6 C20 C21 C22 -1.9(16) . .
C20 C21 C22 C23 2.7(15) . .
C20 C21 C22 C19 -179.7(9) . .
N5 C19 C22 C21 -7.2(14) . .
C18 C19 C22 C21 169.8(11) . .
N5 C19 C22 C23 170.2(9) . .
C18 C19 C22 C23 -12.8(15) . .
C21 C22 C23 C24 -2.9(14) . .
C19 C22 C23 C24 179.6(9) . .
C22 C23 C24 N6 2.2(16) . .
C20 N6 C24 C23 -1.1(15) . .
Rh2 N6 C24 C23 -175.8(8) 7_566 .
C29 C25 C26 C27 -1.1(11) . .
C30 C25 C26 C27 -179.1(10) . .
Rh1 C25 C26 C27 60.5(7) . .
C29 C25 C26 C31 176.9(10) . .
C30 C25 C26 C31 -1.0(17) . .
Rh1 C25 C26 C31 -121.5(11) . .
C29 C25 C26 Rh1 -61.6(7) . .
C30 C25 C26 Rh1 120.4(11) . .
C25 C26 C27 C28 0.1(11) . .
C31 C26 C27 C28 -178.0(10) . .
Rh1 C26 C27 C28 60.7(7) . .
C25 C26 C27 C32 -177.7(11) . .
C31 C26 C27 C32 4.2(17) . .
Rh1 C26 C27 C32 -117.1(11) . .
C25 C26 C27 Rh1 -60.6(7) . .
C31 C26 C27 Rh1 121.3(11) . .
C26 C27 C28 C29 0.9(11) . .
C32 C27 C28 C29 178.7(11) . .
Rh1 C27 C28 C29 61.1(7) . .
C26 C27 C28 C33 177.3(11) . .
C32 C27 C28 C33 -4.9(19) . .
Rh1 C27 C28 C33 -122.5(13) . .
C26 C27 C28 Rh1 -60.2(7) . .
C32 C27 C28 Rh1 117.6(11) . .
C26 C25 C29 C28 1.7(11) . .
C30 C25 C29 C28 179.6(10) . .
Rh1 C25 C29 C28 -59.5(7) . .
C26 C25 C29 C34 178.9(10) . .
C30 C25 C29 C34 -3.2(17) . .
Rh1 C25 C29 C34 117.7(11) . .
C26 C25 C29 Rh1 61.2(7) . .
C30 C25 C29 Rh1 -120.8(11) . .
C27 C28 C29 C25 -1.6(11) . .
C33 C28 C29 C25 -178.3(10) . .
Rh1 C28 C29 C25 59.3(7) . .
C27 C28 C29 C34 -178.8(10) . .
C33 C28 C29 C34 4.5(17) . .
Rh1 C28 C29 C34 -117.9(11) . .
C27 C28 C29 Rh1 -60.9(7) . .
C33 C28 C29 Rh1 122.4(11) . .
C39 C35 C36 C37 -3.1(12) . .
C40 C35 C36 C37 178.5(11) . .
Rh2 C35 C36 C37 60.7(7) . .
C39 C35 C36 C41 179.3(12) . .
C40 C35 C36 C41 1(2) . .
Rh2 C35 C36 C41 -116.9(12) . .
C39 C35 C36 Rh2 -63.8(8) . .
C40 C35 C36 Rh2 117.8(13) . .
C35 C36 C37 C38 0.8(12) . .
C41 C36 C37 C38 178.4(11) . .
Rh2 C36 C37 C38 61.2(7) . .
C35 C36 C37 C42 176.4(10) . .
C41 C36 C37 C42 -6.0(18) . .
Rh2 C36 C37 C42 -123.2(11) . .
C35 C36 C37 Rh2 -60.4(7) . .
C41 C36 C37 Rh2 117.3(12) . .
C36 C37 C38 C39 1.8(12) . .
C42 C37 C38 C39 -173.7(10) . .
Rh2 C37 C38 C39 63.4(8) . .
C36 C37 C38 C43 177.4(10) . .
C42 C37 C38 C43 1.9(18) . .
Rh2 C37 C38 C43 -121.0(11) . .
C36 C37 C38 Rh2 -61.6(7) . .
C42 C37 C38 Rh2 122.9(11) . .
C37 C38 C39 C35 -3.8(12) . .
C43 C38 C39 C35 -179.2(11) . .
Rh2 C38 C39 C35 58.4(8) . .
C37 C38 C39 C44 -176.9(11) . .
C43 C38 C39 C44 7.6(18) . .
Rh2 C38 C39 C44 -114.7(11) . .
C37 C38 C39 Rh2 -62.2(8) . .
C43 C38 C39 Rh2 122.3(11) . .
C36 C35 C39 C38 4.2(12) . .
C40 C35 C39 C38 -177.3(11) . .
Rh2 C35 C39 C38 -58.4(8) . .
C36 C35 C39 C44 177.0(11) . .
C40 C35 C39 C44 -4.5(19) . .
Rh2 C35 C39 C44 114.4(12) . .
C36 C35 C39 Rh2 62.6(8) . .
C40 C35 C39 Rh2 -118.9(12) . .
C51 N7 C45 C50 2.3(16) . .
Pd2 N7 C45 C50 -175.5(7) . .
C51 N7 C45 C46 -179.6(9) . .
Pd2 N7 C45 C46 2.6(9) . .
C50 C45 C46 C47 0.6(13) . .
N7 C45 C46 C47 -177.7(8) . .
C50 C45 C46 N8 177.5(8) . .
N7 C45 C46 N8 -0.7(11) . .
C53 N8 C46 C47 1.8(14) . .
Pd2 N8 C46 C47 175.3(7) . .
C53 N8 C46 C45 -174.9(8) . .
Pd2 N8 C46 C45 -1.4(9) . .
C45 C46 C47 C48 -1.1(13) . .
N8 C46 C47 C48 -177.6(8) . .
C46 C47 C48 C49 1.5(15) . .
C47 C48 C49 C50 -1.3(15) . .
N7 C45 C50 C49 177.6(9) . .
C46 C45 C50 C49 -0.4(14) . .
C48 C49 C50 C45 0.7(15) . .
Rh3 O7 C51 N7 -172.8(8) . .
Rh3 O7 C51 C52 5.7(10) . .
C45 N7 C51 O7 2.3(16) . .
Pd2 N7 C51 O7 -179.9(8) . .
C45 N7 C51 C52 -176.3(8) . .
Pd2 N7 C51 C52 1.5(10) . .
Rh3 O8 C52 O9 173.7(7) . .
Rh3 O8 C52 C51 -3.6(10) . .
Pd2 O9 C52 O8 -178.3(7) . .
Pd2 O9 C52 C51 -1.0(10) . .
O7 C51 C52 O8 -1.5(13) . .
N7 C51 C52 O8 177.2(8) . .
O7 C51 C52 O9 -179.0(8) . .
N7 C51 C52 O9 -0.3(12) . .
Rh4 O10 C53 N8 179.1(7) . .
Rh4 O10 C53 C54 -3.1(10) . .
C46 N8 C53 O10 -8.5(15) . .
Pd2 N8 C53 O10 178.2(7) . .
C46 N8 C53 C54 173.6(8) . .
Pd2 N8 C53 C54 0.3(9) . .
Pd2 O12 C54 O11 173.9(7) . .
Pd2 O12 C54 C53 -1.0(10) . .
Rh4 O11 C54 O12 177.9(7) . .
Rh4 O11 C54 C53 -6.9(9) . .
O10 C53 C54 O12 -177.6(8) . .
N8 C53 C54 O12 0.6(12) . .
O10 C53 C54 O11 7.0(12) . .
N8 C53 C54 O11 -174.8(8) . .
C59 N9 C55 C56 4.0(15) . .
Rh3 N9 C55 C56 -170.1(8) . .
N9 C55 C56 C57 -1.6(17) . .
C55 C56 C57 C58 -2.1(16) . .
C55 C56 C57 C60 170.9(10) . .
C56 C57 C58 C59 3.2(15) . .
C60 C57 C58 C59 -169.6(10) . .
C55 N9 C59 C58 -2.8(15) . .
Rh3 N9 C59 C58 171.1(8) . .
C57 C58 C59 N9 -0.8(17) . .
N11 N10 C60 C61 -5.4(17) . .
N11 N10 C60 C57 175.6(9) . .
C56 C57 C60 N10 -154.3(10) . .
C58 C57 C60 N10 18.3(15) . .
C56 C57 C60 C61 26.8(17) . .
C58 C57 C60 C61 -160.6(12) . .
N10 C60 C61 C62 6(2) . .
C57 C60 C61 C62 -175.5(12) . .
C60 C61 C62 C63 -1(2) . .
N10 N11 C63 C62 5.3(17) . .
N10 N11 C63 C66 -176.3(9) . .
C61 C62 C63 N11 -5(2) . .
C61 C62 C63 C66 176.7(12) . .
C68 N12 C64 C65 3.8(15) . .
Rh4 N12 C64 C65 -176.8(8) 7_665 .
N12 C64 C65 C66 -0.9(16) . .
C64 C65 C66 C67 -2.4(14) . .
C64 C65 C66 C63 176.8(9) . .
N11 C63 C66 C65 170.2(9) . .
C62 C63 C66 C65 -11.4(16) . .
N11 C63 C66 C67 -10.7(14) . .
C62 C63 C66 C67 167.7(11) . .
C65 C66 C67 C68 2.7(14) . .
C63 C66 C67 C68 -176.4(9) . .
C64 N12 C68 C67 -3.4(15) . .
Rh4 N12 C68 C67 177.2(8) 7_665 .
C66 C67 C68 N12 0.2(16) . .
C73 C69 C70 C71 -0.4(14) . .
C74 C69 C70 C71 -176.9(12) . .
Rh3 C69 C70 C71 61.0(8) . .
C73 C69 C70 C75 175.2(14) . .
C74 C69 C70 C75 -1(2) . .
Rh3 C69 C70 C75 -123.5(15) . .
C73 C69 C70 Rh3 -61.3(9) . .
C74 C69 C70 Rh3 122.1(13) . .
C69 C70 C71 C72 -0.3(13) . .
C75 C70 C71 C72 -176.1(12) . .
Rh3 C70 C71 C72 62.5(8) . .
C69 C70 C71 C76 176.2(12) . .
C75 C70 C71 C76 0(2) . .
Rh3 C70 C71 C76 -121.0(13) . .
C69 C70 C71 Rh3 -62.8(9) . .
C75 C70 C71 Rh3 121.4(13) . .
C70 C71 C72 C73 0.8(13) . .
C76 C71 C72 C73 -175.9(11) . .
Rh3 C71 C72 C73 62.2(8) . .
C70 C71 C72 C77 176.1(11) . .
C76 C71 C72 C77 -0.6(19) . .
Rh3 C71 C72 C77 -122.5(12) . .
C70 C71 C72 Rh3 -61.4(7) . .
C76 C71 C72 Rh3 121.9(12) . .
C71 C72 C73 C78 -177.3(13) . .
C77 C72 C73 C78 7(2) . .
Rh3 C72 C73 C78 -117.1(15) . .
C71 C72 C73 C69 -1.0(13) . .
C77 C72 C73 C69 -176.4(11) . .
Rh3 C72 C73 C69 59.2(8) . .
C71 C72 C73 Rh3 -60.2(8) . .
C77 C72 C73 Rh3 124.4(12) . .
C70 C69 C73 C72 0.8(14) . .
C74 C69 C73 C72 177.4(12) . .
Rh3 C69 C73 C72 -59.1(8) . .
C70 C69 C73 C78 177.1(14) . .
C74 C69 C73 C78 -6(2) . .
Rh3 C69 C73 C78 117.2(15) . .
C70 C69 C73 Rh3 60.0(9) . .
C74 C69 C73 Rh3 -123.5(13) . .
C83 C79 C80 C81 -1.2(13) . .
C84 C79 C80 C81 -179.2(11) . .
Rh4 C79 C80 C81 59.1(8) . .
C83 C79 C80 C85 -174.4(12) . .
C84 C79 C80 C85 8(2) . .
Rh4 C79 C80 C85 -114.1(13) . .
C83 C79 C80 Rh4 -60.3(8) . .
C84 C79 C80 Rh4 121.7(12) . .
C79 C80 C81 C82 2.5(13) . .
C85 C80 C81 C82 176.4(10) . .
Rh4 C80 C81 C82 62.1(7) . .
C79 C80 C81 C86 178.8(13) . .
C85 C80 C81 C86 -7(2) . .
Rh4 C80 C81 C86 -121.7(15) . .
C79 C80 C81 Rh4 -59.6(8) . .
C85 C80 C81 Rh4 114.3(11) . .
C80 C81 C82 C83 -3.0(12) . .
C86 C81 C82 C83 -179.4(12) . .
Rh4 C81 C82 C83 59.4(8) . .
C80 C81 C82 C87 179.5(12) . .
C86 C81 C82 C87 3(2) . .
Rh4 C81 C82 C87 -118.1(13) . .
C80 C81 C82 Rh4 -62.4(7) . .
C86 C81 C82 Rh4 121.2(14) . .
C80 C79 C83 C82 -0.7(12) . .
C84 C79 C83 C82 177.2(11) . .
Rh4 C79 C83 C82 -61.0(8) . .
C80 C79 C83 C88 -174.9(11) . .
C84 C79 C83 C88 3.0(19) . .
Rh4 C79 C83 C88 124.8(12) . .
C80 C79 C83 Rh4 60.3(8) . .
C84 C79 C83 Rh4 -121.8(12) . .
C81 C82 C83 C79 2.3(12) . .
C87 C82 C83 C79 -179.9(11) . .
Rh4 C82 C83 C79 61.1(8) . .
C81 C82 C83 C88 176.1(12) . .
C87 C82 C83 C88 -6.1(19) . .
Rh4 C82 C83 C88 -125.0(13) . .
C81 C82 C83 Rh4 -58.8(8) . .
C87 C82 C83 Rh4 119.0(11) . .
C95 N13 C89 C90 -177.2(10) . .
Pd3 N13 C89 C90 -2.7(11) . .
C95 N13 C89 C94 5.5(17) . .
Pd3 N13 C89 C94 -180.0(9) . .
C94 C89 C90 C91 -0.7(16) . .
N13 C89 C90 C91 -178.1(9) . .
C94 C89 C90 N14 -179.9(9) . .
N13 C89 C90 N14 2.7(13) . .
C97 N14 C90 C91 -3.2(17) . .
Pd3 N14 C90 C91 179.4(8) . .
C97 N14 C90 C89 175.9(10) . .
Pd3 N14 C90 C89 -1.5(10) . .
C89 C90 C91 C92 -0.5(16) . .
N14 C90 C91 C92 178.6(10) . .
C90 C91 C92 C93 1.6(19) . .
C91 C92 C93 C94 -1(2) . .
C92 C93 C94 C89 0.1(18) . .
C90 C89 C94 C93 0.9(17) . .
N13 C89 C94 C93 178.0(10) . .
Rh5 O13 C95 N13 176.3(9) . .
Rh5 O13 C95 C96 -3.1(11) . .
C89 N13 C95 O13 -2.5(18) . .
Pd3 N13 C95 O13 -176.8(8) . .
C89 N13 C95 C96 176.9(9) . .
Pd3 N13 C95 C96 2.6(10) . .
Rh5 O14 C96 O15 -175.0(8) . .
Rh5 O14 C96 C95 5.2(11) . .
Pd3 O15 C96 O14 179.0(8) . .
Pd3 O15 C96 C95 -1.3(11) . .
O13 C95 C96 O14 -1.5(14) . .
N13 C95 C96 O14 179.0(9) . .
O13 C95 C96 O15 178.7(9) . .
N13 C95 C96 O15 -0.7(13) . .
Rh6 O16 C97 N14 -178.8(9) . .
Rh6 O16 C97 C98 3.1(11) . .
C90 N14 C97 O16 5.0(18) . .
Pd3 N14 C97 O16 -177.6(9) . .
C90 N14 C97 C98 -176.7(9) . .
Pd3 N14 C97 C98 0.7(10) . .
Pd3 O18 C98 O17 -177.8(9) . .
Pd3 O18 C98 C97 3.6(11) . .
Rh6 O17 C98 O18 -177.0(9) . .
Rh6 O17 C98 C97 1.7(11) . .
O16 C97 C98 O18 175.5(10) . .
N14 C97 C98 O18 -3.1(14) . .
O16 C97 C98 O17 -3.3(14) . .
N14 C97 C98 O17 178.2(9) . .
C103 N15 C99 C100 -3.1(15) . .
Rh5 N15 C99 C100 173.7(7) . .
N15 C99 C100 C101 -2.4(15) . .
C99 C100 C101 C102 6.0(14) . .
C99 C100 C101 C104 -172.4(9) . .
C100 C101 C102 C103 -4.4(14) . .
C104 C101 C102 C103 174.1(9) . .
C99 N15 C103 C102 4.7(15) . .
Rh5 N15 C103 C102 -172.0(7) . .
C101 C102 C103 N15 -1.0(15) . .
N17 N16 C104 C105 1.4(16) . .
N17 N16 C104 C101 -174.6(9) . .
C100 C101 C104 N16 156.6(10) . .
C102 C101 C104 N16 -21.8(13) . .
C100 C101 C104 C105 -19.3(16) . .
C102 C101 C104 C105 162.4(11) . .
N16 C104 C105 C106 0.2(18) . .
C101 C104 C105 C106 175.9(11) . .
C104 C105 C106 C107 -3.3(19) . .
N16 N17 C107 C106 -3.3(16) . .
N16 N17 C107 C110 177.7(9) . .
C105 C106 C107 N17 4.9(18) . .
C105 C106 C107 C110 -176.2(11) . .
C112 N18 C108 C109 -1.5(15) . .
Rh6 N18 C108 C109 -178.8(7) 7_656 .
N18 C108 C109 C110 1.2(15) . .
C108 C109 C110 C111 -2.4(14) . .
C108 C109 C110 C107 -179.2(9) . .
N17 C107 C110 C109 10.6(13) . .
C106 C107 C110 C109 -168.3(11) . .
N17 C107 C110 C111 -166.0(9) . .
C106 C107 C110 C111 15.1(15) . .
C109 C110 C111 C112 4.0(14) . .
C107 C110 C111 C112 -179.2(9) . .
C108 N18 C112 C111 3.3(15) . .
Rh6 N18 C112 C111 -179.4(7) 7_656 .
C110 C111 C112 N18 -4.6(15) . .
C117 C113 C114 C115 1.7(12) . .
C118 C113 C114 C115 -174.9(10) . .
Rh5 C113 C114 C115 62.2(7) . .
C117 C113 C114 C119 174.8(11) . .
C118 C113 C114 C119 -1.8(17) . .
Rh5 C113 C114 C119 -124.6(11) . .
C117 C113 C114 Rh5 -60.5(8) . .
C118 C113 C114 Rh5 122.9(11) . .
C113 C114 C115 C116 -2.6(12) . .
C119 C114 C115 C116 -175.7(11) . .
Rh5 C114 C115 C116 59.0(8) . .
C113 C114 C115 C120 179.6(12) . .
C119 C114 C115 C120 6.5(19) . .
Rh5 C114 C115 C120 -118.8(13) . .
C113 C114 C115 Rh5 -61.6(7) . .
C119 C114 C115 Rh5 125.3(12) . .
C114 C115 C116 C117 2.7(13) . .
C120 C115 C116 C117 -179.5(12) . .
Rh5 C115 C116 C117 62.4(8) . .
C114 C115 C116 C121 -178.7(11) . .
C120 C115 C116 C121 -1.0(19) . .
Rh5 C115 C116 C121 -119.1(11) . .
C114 C115 C116 Rh5 -59.6(7) . .
C120 C115 C116 Rh5 118.1(13) . .
C115 C116 C117 C113 -1.6(12) . .
C121 C116 C117 C113 179.9(11) . .
Rh5 C116 C117 C113 59.6(8) . .
C115 C116 C117 C122 179.3(12) . .
C121 C116 C117 C122 1(2) . .
Rh5 C116 C117 C122 -119.5(13) . .
C115 C116 C117 Rh5 -61.2(8) . .
C121 C116 C117 Rh5 120.3(12) . .
C114 C113 C117 C116 0.0(12) . .
C118 C113 C117 C116 176.6(10) . .
Rh5 C113 C117 C116 -59.3(8) . .
C114 C113 C117 C122 179.0(12) . .
C118 C113 C117 C122 -4.4(19) . .
Rh5 C113 C117 C122 119.8(13) . .
C114 C113 C117 Rh5 59.2(7) . .
C118 C113 C117 Rh5 -124.1(11) . .
C127 C123 C124 C125 2.4(16) . .
C128 C123 C124 C125 -173.9(13) . .
Rh6 C123 C124 C125 61.9(9) . .
C127 C123 C124 C129 179.1(14) . .
C128 C123 C124 C129 3(2) . .
Rh6 C123 C124 C129 -121.4(15) . .
C127 C123 C124 Rh6 -59.5(10) . .
C128 C123 C124 Rh6 124.2(13) . .
C123 C124 C125 C126 -2.2(17) . .
C129 C124 C125 C126 -178.9(15) . .
Rh6 C124 C125 C126 60.0(12) . .
C123 C124 C125 C130 -179.3(16) . .
C129 C124 C125 C130 4(2) . .
Rh6 C124 C125 C130 -117.0(18) . .
C123 C124 C125 Rh6 -62.2(10) . .
C129 C124 C125 Rh6 121.0(15) . .
C124 C125 C126 C127 1.2(18) . .
C130 C125 C126 C127 178.2(17) . .
Rh6 C125 C126 C127 61.4(11) . .
C124 C125 C126 C131 177.7(17) . .
C130 C125 C126 C131 -5(3) . .
Rh6 C125 C126 C131 -122(2) . .
C124 C125 C126 Rh6 -60.2(10) . .
C130 C125 C126 Rh6 116.8(19) . .
C124 C123 C127 C126 -1.6(17) . .
C128 C123 C127 C126 174.5(14) . .
Rh6 C123 C127 C126 -61.5(11) . .
C124 C123 C127 C132 178.6(15) . .
C128 C123 C127 C132 -5(2) . .
Rh6 C123 C127 C132 118.7(16) . .
C124 C123 C127 Rh6 59.9(10) . .
C128 C123 C127 Rh6 -124.0(15) . .
C125 C126 C127 C123 0.2(18) . .
C131 C126 C127 C123 -176.5(16) . .
Rh6 C126 C127 C123 63.2(11) . .
C125 C126 C127 C132 180.0(15) . .
C131 C126 C127 C132 3(3) . .
Rh6 C126 C127 C132 -117.0(16) . .
C125 C126 C127 Rh6 -63.0(12) . .
C131 C126 C127 Rh6 120.3(18) . .
O20 S1 C133 F2 -168.1(15) . .
O19 S1 C133 F2 61.4(18) . .
O21 S1 C133 F2 -55.6(18) . .
O20 S1 C133 F1 69.4(18) . .
O19 S1 C133 F1 -61.0(18) . .
O21 S1 C133 F1 -178.0(16) . .
O20 S1 C133 F3 -48.3(18) . .
O19 S1 C133 F3 -178.7(15) . .
O21 S1 C133 F3 64.3(17) . .
O24 S2 C134 F4 -75(2) . .
O22 S2 C134 F4 53(2) . .
O23 S2 C134 F4 171(2) . .
O24 S2 C134 F5 51(2) . .
O22 S2 C134 F5 178.3(19) . .
O23 S2 C134 F5 -64(2) . .
O24 S2 C134 F6 165.3(16) . .
O22 S2 C134 F6 -67.0(19) . .
O23 S2 C134 F6 51.1(18) . .
F7 C135 S3 O26 -164(2) . .
F9 C135 S3 O26 66(2) . .
F8 C135 S3 O26 -49(2) . .
F7 C135 S3 O25 61(2) . .
F9 C135 S3 O25 -68.7(19) . .
F8 C135 S3 O25 176.3(17) . .
F7 C135 S3 O27 -53(2) . .
F9 C135 S3 O27 176.9(19) . .
F8 C135 S3 O27 62(2) . .
F7 C135 S3' O26' 142(3) . .
F9 C135 S3' O26' 18(3) . .
F8 C135 S3' O26' -92(3) . .
F7 C135 S3' O27' -94(3) . .
F9 C135 S3' O27' 142(2) . .
F8 C135 S3' O27' 32(2) . .
F7 C135 S3' O25 31(3) . .
F9 C135 S3' O25 -93(2) . .
F8 C135 S3' O25 157(2) . .
F10 S4 O28 C136 -153(29) . .
F11 S4 O28 C136 -76(7) . .
O29 S4 O28 C136 -7(6) . .
O30 S4 O28 C136 -149(7) . .
S4 S4 O28 C136 97(6) 7_557 .
F12 S4 O28 C136 16(5) . .
C136 S4 O28 C136 110(6) 7_557 .
F10 S4 O29 C136 19(8) . .
F11 S4 O29 C136 144(9) . .
O28 S4 O29 C136 10(9) . .
O30 S4 O29 C136 152(9) . .
S4 S4 O29 C136 -102(8) 7_557 .
F12 S4 O29 C136 -25(8) . .
C136 S4 O29 C136 -111(8) 7_557 .
F10 S4 O29 F12 45(5) . .
F11 S4 O29 F12 170(4) . .
O28 S4 O29 F12 35(5) . .
O30 S4 O29 F12 178(2) . .
S4 S4 O29 F12 -77(2) 7_557 .
C136 S4 O29 F12 -86(2) 7_557 .
F10 S4 O29 F11 -125(5) . .
O28 S4 O29 F11 -134(4) . .
O30 S4 O29 F11 8(2) . .
S4 S4 O29 F11 113(2) 7_557 .
F12 S4 O29 F11 -170(4) . .
C136 S4 O29 F11 104(2) 7_557 .
F10 S4 O30 F11 141(3) . .
O28 S4 O30 F11 140(4) . .
O29 S4 O30 F11 -7(2) . .
S4 S4 O30 F11 -104(2) 7_557 .
F12 S4 O30 F11 -3(4) . .
C136 S4 O30 F11 -108.8(16) 7_557 .
F10 S4 O30 C136 111(13) . .
F11 S4 O30 C136 -30(12) . .
O28 S4 O30 C136 110(13) . .
O29 S4 O30 C136 -37(12) . .
S4 S4 O30 C136 -134(13) 7_557 .
F12 S4 O30 C136 -33(10) . .
C136 S4 O30 C136 -139(12) 7_557 .
F11 O29 C136 F12 -174(3) . .
S4 O29 C136 F12 153(8) . .
F12 O29 C136 F11 174(3) . .
S4 O29 C136 F11 -32(8) . .
F12 O29 C136 F10 75(11) . .
F11 O29 C136 F10 -100(11) . .
S4 O29 C136 F10 -132(16) . .
F12 O29 C136 O28 46(10) . .
F11 O29 C136 O28 -128(10) . .
S4 O29 C136 O28 -160(16) . .
F12 O29 C136 O30 -174(2) . .
F11 O29 C136 O30 11(3) . .
S4 O29 C136 O30 -21(7) . .
F12 O29 C136 S4 -86.3(19) . 7_557
F11 O29 C136 S4 99.4(18) . 7_557
S4 O29 C136 S4 67(8) . 7_557
F12 O29 C136 C136 -96(2) . 7_557
F11 O29 C136 C136 90(2) . 7_557
S4 O29 C136 C136 58(8) . 7_557
S4 O28 C136 O29 163(13) . .
S4 O28 C136 F12 -159(7) . .
S4 O28 C136 F11 55(6) . .
S4 O28 C136 F10 25(27) . .
S4 O28 C136 O30 22(5) . .
S4 O28 C136 S4 -65(6) . 7_557
S4 O28 C136 C136 -55(5) . 7_557
F11 O30 C136 O29 -12(3) . .
S4 O30 C136 O29 135(14) . .
F11 O30 C136 F12 -25(6) . .
S4 O30 C136 F12 122(16) . .
S4 O30 C136 F11 147(13) . .
F11 O30 C136 F10 152(3) . .
S4 O30 C136 F10 -62(12) . .
F11 O30 C136 O28 152(4) . .
S4 O30 C136 O28 -61(12) . .
F11 O30 C136 S4 -105.9(19) . 7_557
S4 O30 C136 S4 41(12) . 7_557
F11 O30 C136 C136 -109(2) . 7_557
S4 O30 C136 C136 38(11) . 7_557
F11 S4 F10 C136 -91(7) . .
O28 S4 F10 C136 27(28) . .
O29 S4 F10 C136 -13(6) . .
O30 S4 F10 C136 -150(7) . .
S4 S4 F10 C136 101(6) 7_557 .
F12 S4 F10 C136 15(5) . .
C136 S4 F10 C136 114(6) 7_557 .
O29 C136 F10 S4 138(14) . .
F12 C136 F10 S4 -158(7) . .
F11 C136 F10 S4 51(5) . .
O28 C136 F10 S4 -154(28) . .
O30 C136 F10 S4 24(5) . .
S4 C136 F10 S4 -61(6) 7_557 .
C136 C136 F10 S4 -52(5) 7_557 .
C136 O29 F11 S4 -9(3) . .
F12 O29 F11 S4 -18(6) . .
F12 O29 F11 C136 -9(5) . .
S4 O29 F11 C136 9(3) . .
C136 O29 F11 O30 -18(4) . .
F12 O29 F11 O30 -28(8) . .
S4 O29 F11 O30 -10(3) . .
F10 S4 F11 O29 116(5) . .
O28 S4 F11 O29 98(4) . .
O30 S4 F11 O29 -172(3) . .
S4 S4 F11 O29 -76(2) 7_557 .
F12 S4 F11 O29 7(2) . .
C136 S4 F11 O29 -89(2) 7_557 .
F10 S4 F11 C136 92(7) . .
O28 S4 F11 C136 74(8) . .
O29 S4 F11 C136 -24(7) . .
O30 S4 F11 C136 164(7) . .
S4 S4 F11 C136 -100(6) 7_557 .
F12 S4 F11 C136 -17(6) . .
C136 S4 F11 C136 -113(6) 7_557 .
F10 S4 F11 O30 -72(4) . .
O28 S4 F11 O30 -90(4) . .
O29 S4 F11 O30 172(3) . .
S4 S4 F11 O30 96(2) 7_557 .
F12 S4 F11 O30 178.6(18) . .
C136 S4 F11 O30 82.8(18) 7_557 .
F12 C136 F11 O29 5(3) . .
F10 C136 F11 O29 158(5) . .
O28 C136 F11 O29 151(6) . .
O30 C136 F11 O29 -166(3) . .
S4 C136 F11 O29 -88(3) 7_557 .
C136 C136 F11 O29 -98(3) 7_557 .
O29 C136 F11 S4 152(8) . .
F12 C136 F11 S4 157(8) . .
F10 C136 F11 S4 -50(6) . .
O28 C136 F11 S4 -58(7) . .
O30 C136 F11 S4 -14(6) . .
S4 C136 F11 S4 63(6) 7_557 .
C136 C136 F11 S4 53(5) 7_557 .
O29 C136 F11 O30 166(3) . .
F12 C136 F11 O30 171(2) . .
F10 C136 F11 O30 -36(4) . .
O28 C136 F11 O30 -44(5) . .
S4 C136 F11 O30 77.5(18) 7_557 .
C136 C136 F11 O30 67(2) 7_557 .
S4 O30 F11 O29 10(3) . .
C136 O30 F11 O29 15(4) . .
C136 O30 F11 S4 5(2) . .
S4 O30 F11 C136 -5(2) . .
F11 O29 F12 C136 9(5) . .
S4 O29 F12 C136 -6(2) . .
C136 O29 F12 S4 6(2) . .
F11 O29 F12 S4 16(5) . .
F11 C136 F12 O29 -5(2) . .
F10 C136 F12 O29 -161(5) . .
O28 C136 F12 O29 -162(5) . .
O30 C136 F12 O29 16(6) . .
S4 C136 F12 O29 96(3) 7_557 .
C136 C136 F12 O29 95(3) 7_557 .
O29 C136 F12 S4 -89(16) . .
F11 C136 F12 S4 -93(16) . .
F10 C136 F12 S4 111(16) . .
O28 C136 F12 S4 110(16) . .
O30 C136 F12 S4 -73(16) . .
S4 C136 F12 S4 7(15) 7_557 .
C136 C136 F12 S4 7(14) 7_557 .
F10 S4 F12 O29 -149(4) . .
F11 S4 F12 O29 -8(3) . .
O28 S4 F12 O29 -152(4) . .
O30 S4 F12 O29 -5(5) . .
S4 S4 F12 O29 100(2) 7_557 .
C136 S4 F12 O29 100(2) 7_557 .
F10 S4 F12 C136 -62(16) . .
F11 S4 F12 C136 80(15) . .
O28 S4 F12 C136 -64(16) . .
O29 S4 F12 C136 88(16) . .
O30 S4 F12 C136 82(16) . .
S4 S4 F12 C136 -172(16) 7_557 .
C136 S4 F12 C136 -173(15) 7_557 .
