#------------------------------------------------------------------------------
#$Date: 2022-04-06 01:25:24 +0300 (Wed, 06 Apr 2022) $
#$Revision: 274361 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/67/1566755.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_1566755
loop_
_publ_author_name
'Dang, Li-Long'
'Li, Ting-Ting'
'Zhang, Ting-Ting'
'Zhao, Ying'
'Chen, Tian'
'Gao, Xiang'
'Ma, Lufang'
'Jin, Guo-Xin'
_publ_section_title
;
 Highly selective synthesis and near-infrared photothermal conversion of
 metalla-Borromean ring and [2]catenane assemblies
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC00437B
_journal_year                    2022
_chemical_formula_moiety
'3(C108 H92 N8 O12 Rh4), C24 H42 O4 Rh2, 18[CF3SO3]'
_chemical_formula_sum            'C366 H318 F54 N24 O94 Rh14 S18'
_chemical_formula_weight         9600.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-01-15
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2022-01-17 deposited with the CCDC.	2022-04-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.086(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.474(5)
_cell_length_b                   34.090(9)
_cell_length_c                   38.801(10)
_cell_measurement_reflns_used    9171
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      51.81
_cell_measurement_theta_min      2.432
_cell_volume                     26148(12)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      193.00
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0776
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            137431
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.409
_diffrn_reflns_theta_min         2.248
_diffrn_source_current           2.86
_diffrn_source_power             0.19931339999999997
_diffrn_source_voltage           69.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.256
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.5048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1297 before and 0.0975 after correction.
The Ratio of minimum to maximum transmission is 0.6725.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'metallic dark black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_description       block
_exptl_crystal_F_000             9676
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.383
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1793
_refine_ls_number_reflns         47779
_refine_ls_number_restraints     5532
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.1552
_refine_ls_R_factor_gt           0.1024
_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)+(0.0100P)²+70.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2124
_refine_ls_wR_factor_ref         0.2336
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21753
_reflns_number_total             47779
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc00437b2.cif
_cod_data_source_block           p21c_CCDC1
_cod_original_cell_volume        26149(11)
_cod_database_code               1566755
_shelx_shelxl_version_number     2018/3
_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_max   0.562
_shelx_estimated_absorpt_t_min   0.521
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C164-C166 = C164-C162 = C162-C168
 1.39 with sigma of 0.02
 C167-C120
 2.65 with sigma of 0.02
 C17-C77
 2.65 with sigma of 0.02
 C159-C118 = C163-C116 = C21-C124 = C167-C122 = C141-C120
 1.53 with sigma of 0.02
 C167-C124
 2.65 with sigma of 0.02
 C162-C98
 2.39 with sigma of 0.02
 C123-C117 = C137-C113 = C39-C57 = C63-C115 = C61-C29 = C171-C77 = C17-C153 =
 C65-C19 = C35-C151 = C85-C75
 1.53 with sigma of 0.02
 C164-C100
 2.39 with sigma of 0.02
 C17-C19
 2.65 with sigma of 0.02
 C168-C164
 2.39 with sigma of 0.02
 C162-C166
 2.39 with sigma of 0.02
 C157-C101
 2.65 with sigma of 0.02
 C69-C51
 2.65 with sigma of 0.02
 C169-C13
 2.65 with sigma of 0.02
 C71-C67
 2.65 with sigma of 0.02
 C139-C25
 2.65 with sigma of 0.02
 C2-C67 = C71-C133 = C143-C33 = C81-C131 = C5-C135 = C161-C51 = C69-C101 =
 C157-C25 = C139-C13 = C169-C103
 1.53 with sigma of 0.02
 C161-C103
 2.65 with sigma of 0.02
 C143-C133
 2.65 with sigma of 0.02
 C71-C33
 2.65 with sigma of 0.02
 C143-C131
 2.65 with sigma of 0.02
 C161-C101
 2.65 with sigma of 0.02
 C81-C33
 2.65 with sigma of 0.02
 C69-C25
 2.65 with sigma of 0.02
 C81-C135
 2.65 with sigma of 0.02
 C157-C13
 2.65 with sigma of 0.02
 C5-C131
 2.65 with sigma of 0.02
 C139-C103
 2.65 with sigma of 0.02
 C5-C67
 2.65 with sigma of 0.02
 C169-C51
 2.65 with sigma of 0.02
 C2-C135
 2.65 with sigma of 0.02
 C2-C133
 2.65 with sigma of 0.02
 C171-C75
 2.65 with sigma of 0.02
 C35-C19
 2.65 with sigma of 0.02
 C137-C117
 2.65 with sigma of 0.02
 C65-C153
 2.65 with sigma of 0.02
 C39-C113
 2.65 with sigma of 0.02
 C85-C151
 2.65 with sigma of 0.02
 C39-C115
 2.65 with sigma of 0.02
 C137-C57
 2.65 with sigma of 0.02
 C63-C57
 2.65 with sigma of 0.02
 C171-C153
 2.65 with sigma of 0.02
 C63-C29
 2.65 with sigma of 0.02
 C61-C115
 2.65 with sigma of 0.02
 C65-C151
 2.65 with sigma of 0.02
 C61-C117
 2.65 with sigma of 0.02
 C35-C75
 2.65 with sigma of 0.02
 C123-C29
 2.65 with sigma of 0.02
 C85-C77
 2.65 with sigma of 0.02
 C123-C113
 2.65 with sigma of 0.02
 C117-C137
 2.65 with sigma of 0.02
 C83-C73
 2.65 with sigma of 0.02
 C165-C73
 2.65 with sigma of 0.02
 C141-C118
 2.65 with sigma of 0.02
 C79-C147
 2.65 with sigma of 0.02
 C41-C147
 2.65 with sigma of 0.02
 C159-C116
 2.65 with sigma of 0.02
 C165-C149
 2.65 with sigma of 0.02
 C163-C124
 2.65 with sigma of 0.02
 C41-C145
 2.65 with sigma of 0.02
 C122-C21
 2.65 with sigma of 0.02
 C83-C37
 2.65 with sigma of 0.02
 C83-C147 = C41-C73 = C79-C37 = C155-C149
 1.53 with sigma of 0.02
 C165-C145
 1.53 with sigma of 0.02
 C163-C118
 2.65 with sigma of 0.02
 C21-C116
 2.65 with sigma of 0.02
 C79-C149
 2.65 with sigma of 0.02
 C141-C122
 2.65 with sigma of 0.02
 C155-C37
 2.65 with sigma of 0.02
 C159-C120
 2.65 with sigma of 0.02
 C155-C145
 2.65 with sigma of 0.02
 C127-C55
 2.65 with sigma of 0.02
 C125-C27
 2.65 with sigma of 0.02
 C31-C109
 2.65 with sigma of 0.02
 C129-C53
 2.65 with sigma of 0.02
 C31-C107
 2.65 with sigma of 0.02
 C9-C107
 2.65 with sigma of 0.02
 C127-C27
 2.65 with sigma of 0.02
 C125-C53
 2.65 with sigma of 0.02
 C129-C109
 2.65 with sigma of 0.02
 C129-C55 = C127-C109 = C27-C31 = C125-C107 = C9-C53
 1.53 with sigma of 0.02
 C9-C55
 2.65 with sigma of 0.02
 O9-C43 = O19-C173
 1.43 with sigma of 0.02
 C173_$1-Rh3
 3.3 with sigma of 0.02
 C173_$1-Rh3_$1
 3.2 with sigma of 0.02
 H12J-H17G_$1
 2 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.01 and sigma
for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Me refined with riding coordinates:
 C17(H17A,H17B,H17C), C167(H16G,H16H,H16I), C173(H17G,H17H,H17I)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C8(H8), C10(H10), C16(H16), C18(H18), C22(H22), C24(H24),
 C30(H30), C32(H32), C34(H34), C38(H38), C40(H40), C42(H42), C44(H44), C48(H48),
  C50(H50), C70(H70), C72(H72), C76(H76), C78(H78), C82(H82), C92(H92),
 C94(H94), C104(H104), C114(H114), C132(H132), C136(H136), C138(H138),
 C146(H146), C148(H148), C152(H152), C154(H154), C160(H160), C162(H162),
 C164(H164), C87(H87), C45(H45), C23(H23), C3(H3), C97(H97), C49(H49), C99(H99),
  C111(H111), C7(H7), C59(H59), C119(H119), C15(H15)
6.c Fitted pentagon refined as free rotating group:
 C116(C118,C120,C122,C124), C25(C101,C51,C103,C13), C53(C107,C27,C109,C55),
 C113(C57,C115,C29,C117), C131(C33,C133,C67,C135), C145(C73,C147,C37,C149),
 C75(C151,C19,C153,C77)
6.d Fitted hexagon refined as free rotating group:
 N4(C1,C4,C6,C8,C10), N12(C16,C18,C20,C22,C24), N2(C32,C34,C36,C38,C40),
 N9(C42,C44,C46,C48,C50), C68(C70,C72,C74,C76,C78), C82(C84,C86,C88,C90,C92),
 C94(C96,C98,C100,C102,C104), C144(C146,C148,C150,C152,C154)
6.e Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C123(H12A,H12B,H12C), C31(H31A,H31B,H31C), C125(H12D,
 H12E,H12F), C63(H63A,H63B,H63C), C127(H12G,H12H,H12I), C2(H2A,H2B,H2C),
 C129(H12J,H12K,H12L), C65(H65A,H65B,H65C), C137(H13A,H13B,H13C), C69(H69A,H69B,
 H69C), C139(H13D,H13E,H13F), C35(H35A,H35B,H35C), C141(H14A,H14B,H14C),
 C71(H71A,H71B,H71C), C143(H14D,H14E,H14F), C9(H9A,H9B,H9C), C155(H15A,H15B,
 H15C), C39(H39A,H39B,H39C), C157(H15G,H15H,H15I), C79(H79A,H79B,H79C),
 C159(H15D,H15E,H15F), C5(H5A,H5B,H5C), C161(H16J,H16K,H16L), C81(H81A,H81B,
 H81C), C163(H16A,H16B,H16C), C41(H41A,H41B,H41C), C165(H16D,H16E,H16F),
 C83(H83A,H83B,H83C), C21(H21A,H21B,H21C), C169(H16M,H16N,H16O), C85(H85A,H85B,
 H85C), C171(H17D,H17E,H17F), C43(H43A,H43B,H43C)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 2548 electrons were 
found in a volume of 14290Å³ in 1 void per unit cell. 
This is consistent with the presence of 
9[CF3SO3] per Asymmetric Unit 
which account for 2628 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Rh1 Rh 1.10813(3) -0.28401(2) -0.07461(2) 0.0895(2) Uani 1 1 d . U . . .
Rh4 Rh 1.84409(4) -0.10349(2) -0.19489(2) 0.1133(3) Uani 1 1 d . U . . .
Rh6 Rh 1.31838(4) -0.03567(2) -0.31060(2) 0.1142(3) Uani 1 1 d . U . . .
Rh7 Rh 1.03265(4) 0.18855(2) -0.16903(2) 0.1170(3) Uani 1 1 d . U . . .
Rh2 Rh 1.54482(6) 0.21131(3) -0.21344(2) 0.1583(4) Uani 1 1 d . U . . .
Rh5 Rh 1.59988(5) -0.33201(3) -0.03356(3) 0.1475(4) Uani 1 1 d . U . . .
Rh3 Rh 1.53146(6) -0.02924(3) -0.02029(4) 0.1929(6) Uani 1 1 d D U . . .
O1 O 1.1297(3) -0.25203(15) -0.02620(13) 0.0924(14) Uani 1 1 d . U . . .
O4 O 1.2112(3) -0.29520(16) -0.05335(14) 0.0993(14) Uani 1 1 d . U . . .
O6 O 1.6314(3) -0.16345(19) -0.21267(17) 0.123(2) Uani 1 1 d . U . . .
O8 O 1.1176(3) 0.17233(19) -0.18716(16) 0.1155(16) Uani 1 1 d . U . . .
O10 O 1.7467(3) -0.12684(17) -0.20620(15) 0.1099(15) Uani 1 1 d . U . . .
O12 O 1.3563(3) 0.09327(17) -0.26970(17) 0.1101(18) Uani 1 1 d . U . . .
O14 O 1.0232(3) 0.1291(2) -0.17161(17) 0.1263(17) Uani 1 1 d . U . . .
N1 N 1.2344(3) -0.27826(19) -0.02020(17) 0.0909(15) Uani 1 1 d . U . . .
O16 O 1.8463(3) -0.13770(17) -0.14908(15) 0.1068(15) Uani 1 1 d . U . . .
O18 O 1.3354(3) -0.3079(2) -0.01457(18) 0.129(2) Uani 1 1 d . U . . .
O20 O 1.3480(3) 0.02044(17) -0.29077(17) 0.1155(16) Uani 1 1 d . U . . .
O5 O 1.2563(3) -0.02572(18) -0.27422(17) 0.1186(17) Uani 1 1 d . U . . .
N4 N 1.1381(3) -0.23199(14) -0.09524(14) 0.1022(17) Uani 1 1 d G U . . .
C1 C 1.1109(3) -0.19649(17) -0.08811(15) 0.109(2) Uani 1 1 d G U . . .
H1 H 1.079450 -0.195943 -0.073927 0.131 Uiso 1 1 calc R U . . .
C4 C 1.1297(3) -0.16180(13) -0.10174(17) 0.120(2) Uani 1 1 d G U . . .
H4 H 1.111074 -0.137540 -0.096868 0.144 Uiso 1 1 calc R U . . .
C6 C 1.1757(3) -0.16260(15) -0.12249(17) 0.126(2) Uani 1 1 d G U . . .
C8 C 1.2029(3) -0.1981(2) -0.12962(17) 0.129(2) Uani 1 1 d G U . . .
H8 H 1.234404 -0.198651 -0.143805 0.155 Uiso 1 1 calc R U . . .
C10 C 1.1842(3) -0.23279(15) -0.11599(16) 0.120(2) Uani 1 1 d G U . . .
H10 H 1.202780 -0.257055 -0.120866 0.143 Uiso 1 1 calc R U . . .
N6 N 1.7390(4) -0.1513(2) -0.1794(2) 0.0994(16) Uani 1 1 d . U . . .
O11 O 1.5942(4) -0.2948(2) -0.07787(18) 0.1296(18) Uani 1 1 d . U . . .
O3 O 1.4427(3) -0.23264(19) 0.16090(17) 0.129(2) Uani 1 1 d . U . . .
O13 O 1.8036(4) -0.2625(2) -0.0138(2) 0.140(2) Uani 1 1 d . U . . .
C12 C 1.2999(5) -0.2869(3) -0.0008(2) 0.0978(19) Uani 1 1 d . U . . .
C14 C 1.6762(5) -0.1700(3) -0.1857(2) 0.1002(19) Uani 1 1 d . U . . .
N8 N 1.0730(4) 0.1126(2) -0.1861(2) 0.1131(17) Uani 1 1 d . U . . .
N10 N 1.3043(4) 0.0350(2) -0.2728(2) 0.1068(17) Uani 1 1 d . U . . .
N12 N 1.8024(3) -0.05885(14) -0.16954(16) 0.1157(19) Uani 1 1 d G U . . .
C16 C 1.7453(3) -0.03844(18) -0.18807(12) 0.116(2) Uani 1 1 d G U . . .
H16 H 1.723352 -0.045440 -0.211985 0.139 Uiso 1 1 calc R U . . .
C18 C 1.7202(3) -0.00780(17) -0.17162(17) 0.116(2) Uani 1 1 d G U . . .
H18 H 1.681186 0.006143 -0.184287 0.139 Uiso 1 1 calc R U . . .
C20 C 1.7523(3) 0.00243(15) -0.13664(17) 0.120(2) Uani 1 1 d G U . . .
C22 C 1.8095(3) -0.01797(19) -0.11810(13) 0.122(2) Uani 1 1 d G U . . .
H22 H 1.831440 -0.010974 -0.094193 0.147 Uiso 1 1 calc R U . . .
C24 C 1.8345(3) -0.04861(17) -0.13456(16) 0.120(2) Uani 1 1 d G U . . .
H24 H 1.873608 -0.062557 -0.121890 0.144 Uiso 1 1 calc R U . . .
N3 N 1.3434(5) -0.1994(2) 0.1504(2) 0.1140(18) Uani 1 1 d . U . . .
C26 C 1.2630(5) 0.0908(3) -0.2450(2) 0.0977(18) Uani 1 1 d . U . . .
C28 C 1.2150(5) 0.0651(3) -0.2362(2) 0.1005(18) Uani 1 1 d . U . . .
C30 C 1.2645(4) 0.1295(3) -0.2363(2) 0.098(2) Uani 1 1 d . U . . .
H30 H 1.297455 0.146224 -0.241850 0.117 Uiso 1 1 calc R U . . .
N7 N 1.6993(5) -0.2771(2) -0.0457(2) 0.1186(19) Uani 1 1 d . U . . .
O7 O 1.2462(4) -0.1630(2) 0.14269(18) 0.142(2) Uani 1 1 d . U . . .
N2 N 1.9052(3) -0.17926(18) 0.11762(12) 0.119(2) Uani 1 1 d G U . . .
C32 C 1.9285(3) -0.15544(18) 0.09427(17) 0.126(2) Uani 1 1 d G U . . .
H32 H 1.971282 -0.142931 0.102014 0.151 Uiso 1 1 calc R U . . .
C34 C 1.8891(4) -0.14992(18) 0.05957(15) 0.129(3) Uani 1 1 d G U . . .
H34 H 1.905038 -0.133638 0.043609 0.154 Uiso 1 1 calc R U . . .
C36 C 1.8265(3) -0.1682(2) 0.04824(13) 0.124(2) Uani 1 1 d G U . . .
C38 C 1.8033(3) -0.19204(19) 0.07160(18) 0.134(3) Uani 1 1 d G U . . .
H38 H 1.760497 -0.204543 0.063848 0.160 Uiso 1 1 calc R U . . .
C40 C 1.8426(3) -0.19756(17) 0.10629(16) 0.128(3) Uani 1 1 d G U . . .
H40 H 1.826741 -0.213837 0.122253 0.153 Uiso 1 1 calc R U . . .
N9 N 1.5008(3) 0.16174(17) -0.19696(15) 0.122(2) Uani 1 1 d G U . . .
C42 C 1.4499(3) 0.16577(15) -0.17947(15) 0.126(2) Uani 1 1 d G U . . .
H42 H 1.438195 0.191054 -0.172712 0.151 Uiso 1 1 calc R U . . .
C44 C 1.4163(3) 0.1328(2) -0.17186(15) 0.126(2) Uani 1 1 d G U . . .
H44 H 1.381492 0.135550 -0.159900 0.152 Uiso 1 1 calc R U . . .
C46 C 1.4334(3) 0.09579(17) -0.18174(17) 0.130(2) Uani 1 1 d G U . . .
C48 C 1.4843(4) 0.09176(15) -0.19924(17) 0.132(2) Uani 1 1 d G U . . .
H48 H 1.496036 0.066476 -0.205993 0.158 Uiso 1 1 calc R U . . .
C50 C 1.5180(3) 0.1247(2) -0.20685(15) 0.130(2) Uani 1 1 d G U . . .
H50 H 1.552740 0.121979 -0.218806 0.156 Uiso 1 1 calc R U . . .
C52 C 1.1913(4) -0.2560(2) -0.0081(2) 0.0863(17) Uani 1 1 d . U . . .
C54 C 1.6494(6) -0.2758(3) -0.0736(3) 0.118(2) Uani 1 1 d . U . . .
O15 O 1.6922(4) -0.3035(2) -0.01918(19) 0.1383(19) Uani 1 1 d . U . . .
N5 N 1.3920(5) -0.0543(3) -0.2657(2) 0.126(2) Uani 1 1 d . U . . .
C56 C 1.7487(6) -0.1521(3) -0.0158(3) 0.124(3) Uani 1 1 d . U . . .
C58 C 1.1202(5) 0.1373(3) -0.1936(2) 0.1052(19) Uani 1 1 d . U . . .
C60 C 1.1675(5) 0.0805(3) -0.2188(2) 0.1005(18) Uani 1 1 d . U . . .
C62 C 1.3117(5) 0.0748(3) -0.2625(2) 0.1006(19) Uani 1 1 d . U . . .
O2 O 1.3640(4) -0.1872(2) 0.18581(17) 0.138(2) Uani 1 1 d . U . . .
C64 C 1.2107(5) 0.0245(3) -0.2465(2) 0.1079(19) Uani 1 1 d . U . . .
C66 C 1.7924(5) -0.1559(3) -0.1507(2) 0.0968(18) Uani 1 1 d . U . . .
C68 C 1.6256(3) -0.11632(17) -0.11518(12) 0.106(2) Uani 1 1 d G U . . .
C70 C 1.6899(3) -0.10046(15) -0.10233(16) 0.111(2) Uani 1 1 d G U . . .
H70 H 1.705740 -0.081130 -0.115822 0.134 Uiso 1 1 calc R U . . .
C72 C 1.7309(3) -0.11289(18) -0.06974(17) 0.114(2) Uani 1 1 d G U . . .
H72 H 1.774876 -0.102051 -0.060958 0.137 Uiso 1 1 calc R U . . .
C74 C 1.7077(3) -0.14117(18) -0.05000(12) 0.112(2) Uani 1 1 d G U . . .
C76 C 1.6434(3) -0.15703(15) -0.06285(16) 0.109(2) Uani 1 1 d G U . . .
H76 H 1.627529 -0.176357 -0.049361 0.130 Uiso 1 1 calc R U . . .
C78 C 1.6023(2) -0.14460(17) -0.09544(16) 0.105(2) Uani 1 1 d G U . . .
H78 H 1.558392 -0.155436 -0.104226 0.126 Uiso 1 1 calc R U . . .
C80 C 1.7832(5) -0.1829(2) -0.1238(2) 0.0949(17) Uani 1 1 d . U . . .
C82 C 1.6012(3) -0.24231(16) -0.13425(17) 0.107(2) Uani 1 1 d G U . . .
H82 H 1.559595 -0.255735 -0.136610 0.128 Uiso 1 1 calc R U . . .
C84 C 1.6544(3) -0.24800(15) -0.10406(14) 0.1030(18) Uani 1 1 d G U . . .
C86 C 1.7152(3) -0.22835(17) -0.10061(13) 0.0972(17) Uani 1 1 d G U . . .
C88 C 1.7229(2) -0.20301(15) -0.12735(16) 0.0930(17) Uani 1 1 d G U . . .
C90 C 1.6697(3) -0.19732(15) -0.15754(14) 0.1015(18) Uani 1 1 d G U . . .
C92 C 1.6088(3) -0.21697(18) -0.16099(13) 0.109(2) Uani 1 1 d G U . . .
H92 H 1.572489 -0.213074 -0.181627 0.131 Uiso 1 1 calc R U . . .
C94 C 1.1729(2) -0.21181(16) 0.03943(14) 0.098(2) Uani 1 1 d G U . . .
H94 H 1.128986 -0.205966 0.024902 0.118 Uiso 1 1 calc R U . . .
C96 C 1.2149(3) -0.23707(15) 0.02697(11) 0.0887(17) Uani 1 1 d G U . . .
C98 C 1.2792(3) -0.24563(15) 0.04822(15) 0.0944(18) Uani 1 1 d DG U . . .
C100 C 1.3015(2) -0.22893(17) 0.08193(14) 0.0982(18) Uani 1 1 d DG U . . .
C102 C 1.2594(3) -0.20367(16) 0.09438(11) 0.1014(19) Uani 1 1 d G U . . .
C104 C 1.1952(3) -0.19511(15) 0.07313(15) 0.103(2) Uani 1 1 d G U . . .
H104 H 1.166437 -0.177853 0.081649 0.124 Uiso 1 1 calc R U . . .
N11 N 1.4391(5) 0.2826(2) 0.0126(3) 0.127(2) Uani 1 1 d . U . . .
C106 C 1.1693(5) 0.1199(3) -0.2104(2) 0.1014(18) Uani 1 1 d . U . . .
C108 C 1.1190(5) 0.0558(3) -0.2104(2) 0.1077(19) Uani 1 1 d . U . . .
C110 C 1.2572(5) 0.0096(3) -0.2642(2) 0.1092(19) Uani 1 1 d . U . . .
O17 O 1.0266(4) 0.0529(2) -0.1856(2) 0.152(3) Uani 1 1 d . U . . .
C112 C 1.7696(5) -0.2325(3) -0.0679(3) 0.1033(18) Uani 1 1 d . U . . .
C114 C 1.2180(5) 0.1449(3) -0.2193(2) 0.105(2) Uani 1 1 d . U . . .
H114 H 1.218904 0.172084 -0.213732 0.126 Uiso 1 1 calc R U . . .
C116 C 1.0687(4) -0.34115(19) -0.0754(2) 0.150(2) Uani 1 1 d DG U . . .
C118 C 1.0757(4) -0.3318(2) -0.1099(2) 0.145(2) Uani 1 1 d DG U . . .
C120 C 1.0335(4) -0.2991(2) -0.12283(16) 0.137(2) Uani 1 1 d DG U . . .
C122 C 1.0005(3) -0.2882(2) -0.0963(2) 0.140(2) Uani 1 1 d DG U . . .
C124 C 1.0223(4) -0.3142(2) -0.06696(18) 0.149(2) Uani 1 1 d DG U . . .
C126 C 1.7804(6) -0.1618(3) 0.0118(3) 0.126(3) Uani 1 1 d . U . . .
C128 C 1.2796(6) -0.1861(3) 0.1329(3) 0.114(2) Uani 1 1 d . U . . .
C130 C 1.6709(6) 0.0913(3) -0.0932(3) 0.120(2) Uani 1 1 d . U . . .
C132 C 1.8331(5) -0.1871(3) -0.0922(3) 0.104(2) Uani 1 1 d . U . . .
H132 H 1.873430 -0.172230 -0.089332 0.125 Uiso 1 1 calc R U . . .
C134 C 1.3868(6) -0.2239(3) 0.1402(3) 0.113(2) Uani 1 1 d . U . . .
C136 C 1.4361(5) -0.1016(3) -0.2178(3) 0.119(2) Uani 1 1 d . U . . .
H136 H 1.429773 -0.124857 -0.205542 0.143 Uiso 1 1 calc R U . . .
C138 C 1.1610(5) 0.0023(3) -0.2368(3) 0.115(2) Uani 1 1 d . U . . .
H138 H 1.158307 -0.024997 -0.242119 0.138 Uiso 1 1 calc R U . . .
C140 C 1.0710(6) 0.0719(3) -0.1936(3) 0.118(2) Uani 1 1 d . U . . .
C142 C 1.6034(6) 0.1463(3) -0.0625(3) 0.124(2) Uani 1 1 d . U . . .
C144 C 1.3262(4) 0.00205(18) -0.16457(19) 0.129(2) Uani 1 1 d G U . . .
C146 C 1.2762(4) 0.00619(16) -0.14656(19) 0.144(3) Uani 1 1 d G U . . .
H146 H 1.266460 0.031334 -0.138570 0.173 Uiso 1 1 calc R U . . .
C148 C 1.2403(3) -0.0265(2) -0.14025(19) 0.141(3) Uani 1 1 d G U . . .
H148 H 1.206076 -0.023636 -0.127942 0.169 Uiso 1 1 calc R U . . .
C150 C 1.2545(4) -0.06325(18) -0.1519(2) 0.136(2) Uani 1 1 d G U . . .
C152 C 1.3046(4) -0.06739(16) -0.16995(19) 0.135(3) Uani 1 1 d G U . . .
H152 H 1.314292 -0.092532 -0.177943 0.162 Uiso 1 1 calc R U . . .
C154 C 1.3405(3) -0.0347(2) -0.17626(18) 0.135(3) Uani 1 1 d G U . . .
H154 H 1.374676 -0.037562 -0.188572 0.162 Uiso 1 1 calc R U . . .
C156 C 1.5651(6) 0.1740(3) -0.0467(3) 0.123(2) Uani 1 1 d . U . . .
C158 C 1.4942(6) -0.0813(3) -0.2071(3) 0.120(2) Uani 1 1 d . U . . .
C160 C 1.1162(5) 0.0179(3) -0.2202(3) 0.116(2) Uani 1 1 d . U . . .
H160 H 1.082046 0.001609 -0.215336 0.139 Uiso 1 1 calc R U . . .
C162 C 1.3855(4) -0.2799(3) 0.0569(2) 0.115(2) Uani 1 1 d D U . . .
H162 H 1.414829 -0.296977 0.048559 0.138 Uiso 1 1 calc R U . . .
C164 C 1.4055(4) -0.2639(3) 0.0916(2) 0.118(2) Uani 1 1 d D U . . .
H164 H 1.448682 -0.270241 0.106757 0.141 Uiso 1 1 calc R U . . .
C166 C 1.3638(5) -0.2397(3) 0.1035(2) 0.1046(19) Uani 1 1 d D U . . .
C168 C 1.3214(4) -0.2702(3) 0.0348(2) 0.1021(19) Uani 1 1 d D U . . .
C170 C 1.5038(6) 0.2258(3) -0.0171(3) 0.129(2) Uani 1 1 d . U . . .
C172 C 1.3625(6) 0.0337(3) -0.1713(3) 0.137(3) Uani 1 1 d . U . . .
C174 C 1.5436(6) -0.0944(3) -0.1768(3) 0.125(3) Uani 1 1 d . U . . .
C87 C 1.6140(6) 0.1086(3) -0.1119(3) 0.131(3) Uani 1 1 d . U . . .
H87 H 1.597985 0.103200 -0.136650 0.157 Uiso 1 1 calc R U . . .
C11 C 1.7580(6) -0.2590(3) -0.0416(3) 0.117(2) Uani 1 1 d . U . . .
C89 C 1.7281(5) 0.0347(3) -0.1209(3) 0.121(2) Uani 1 1 d . U . . .
C45 C 1.4137(6) 0.2716(3) -0.0209(3) 0.136(3) Uani 1 1 d . U . . .
H45 H 1.372400 0.282903 -0.034204 0.164 Uiso 1 1 calc R U . . .
C91 C 1.3975(6) 0.0625(3) -0.1752(3) 0.142(3) Uani 1 1 d . U . . .
C23 C 1.8280(5) -0.2115(3) -0.0643(3) 0.105(2) Uani 1 1 d . U . . .
H23 H 1.864026 -0.213455 -0.043209 0.126 Uiso 1 1 calc R U . . .
C93 C 1.5813(5) -0.1029(3) -0.1489(3) 0.120(2) Uani 1 1 d . U . . .
C47 C 1.7059(5) 0.0611(3) -0.1070(3) 0.119(2) Uani 1 1 d . U . . .
C95 C 1.5336(6) 0.1954(3) -0.0352(3) 0.127(3) Uani 1 1 d . U . . .
C3 C 1.5779(6) 0.1340(3) -0.0965(3) 0.134(3) Uani 1 1 d . U . . .
H3 H 1.534780 0.142957 -0.109735 0.161 Uiso 1 1 calc R U . . .
C97 C 1.5272(6) 0.2377(3) 0.0157(3) 0.141(3) Uani 1 1 d . U . . .
H97 H 1.566909 0.225539 0.029855 0.170 Uiso 1 1 calc R U . . .
C49 C 1.3816(6) -0.0877(3) -0.2487(3) 0.127(3) Uani 1 1 d . U . . .
H49 H 1.340467 -0.101826 -0.256503 0.153 Uiso 1 1 calc R U . . .
C99 C 1.7010(6) 0.1039(3) -0.0569(3) 0.138(3) Uani 1 1 d . U . . .
H99 H 1.742599 0.093425 -0.043020 0.165 Uiso 1 1 calc R U . . .
C25 C 1.3247(4) -0.0839(2) -0.3444(2) 0.154(3) Uani 1 1 d DG U . . .
C101 C 1.3497(4) -0.0487(3) -0.3558(2) 0.160(3) Uani 1 1 d DG U . . .
C51 C 1.2955(5) -0.0215(2) -0.3650(2) 0.161(3) Uani 1 1 d DG U . . .
C103 C 1.2370(4) -0.0399(2) -0.3593(2) 0.166(3) Uani 1 1 d DG U . . .
C13 C 1.2550(4) -0.0784(2) -0.3466(2) 0.161(3) Uani 1 1 d DG U . . .
C105 C 1.2232(6) -0.0985(3) -0.1438(3) 0.136(3) Uani 1 1 d . U . . .
C53 C 1.5090(4) -0.0657(3) -0.0678(3) 0.192(3) Uani 1 1 d DG U . . .
C107 C 1.5416(5) -0.0852(2) -0.0355(3) 0.187(3) Uani 1 1 d DG U . . .
C27 C 1.6060(5) -0.0675(3) -0.0219(2) 0.193(3) Uani 1 1 d DG U . . .
C109 C 1.6132(4) -0.0372(3) -0.0457(3) 0.189(3) Uani 1 1 d DG U . . .
C55 C 1.5532(5) -0.0360(3) -0.0740(2) 0.200(3) Uani 1 1 d DG U . . .
C111 C 1.4460(6) 0.2437(3) -0.0374(3) 0.139(3) Uani 1 1 d . U . . .
H111 H 1.428428 0.237232 -0.061903 0.167 Uiso 1 1 calc R U . . .
C7 C 1.6648(6) 0.1327(3) -0.0433(3) 0.138(3) Uani 1 1 d . U . . .
H7 H 1.683771 0.142893 -0.020059 0.166 Uiso 1 1 calc R U . . .
C113 C 1.9472(4) -0.0964(2) -0.19406(18) 0.152(2) Uani 1 1 d DG U . . .
C57 C 1.9235(4) -0.1329(2) -0.2101(2) 0.151(2) Uani 1 1 d DG U . . .
C115 C 1.8699(4) -0.1253(2) -0.2409(2) 0.146(2) Uani 1 1 d DG U . . .
C29 C 1.8605(4) -0.0841(2) -0.24388(19) 0.146(2) Uani 1 1 d DG U . . .
C117 C 1.9083(4) -0.06619(18) -0.2150(2) 0.148(2) Uani 1 1 d DG U . . .
C59 C 1.5040(6) -0.0491(3) -0.2250(3) 0.135(3) Uani 1 1 d . U . . .
H59 H 1.545455 -0.035122 -0.217901 0.162 Uiso 1 1 calc R U . . .
C119 C 1.4537(6) -0.0366(3) -0.2535(3) 0.135(3) Uani 1 1 d . U . . .
H119 H 1.462291 -0.013874 -0.265837 0.162 Uiso 1 1 calc R U . . .
C15 C 1.4969(6) 0.2675(3) 0.0315(3) 0.140(3) Uani 1 1 d . U . . .
H15 H 1.517470 0.276493 0.055014 0.168 Uiso 1 1 calc R U . . .
C121 C 1.1971(6) -0.1268(3) -0.1365(3) 0.134(3) Uani 1 1 d . U . . .
C61 C 1.8077(6) -0.0645(4) -0.2761(3) 0.189(4) Uani 1 1 d D U . . .
H61A H 1.764918 -0.078971 -0.280814 0.283 Uiso 1 1 calc R U . . .
H61B H 1.825154 -0.065225 -0.297309 0.283 Uiso 1 1 calc R U . . .
H61C H 1.800230 -0.037252 -0.270141 0.283 Uiso 1 1 calc R U . . .
C123 C 1.9187(7) -0.0228(3) -0.2080(4) 0.202(5) Uani 1 1 d D U . . .
H12A H 1.874799 -0.009969 -0.210991 0.303 Uiso 1 1 calc R U . . .
H12B H 1.941859 -0.011604 -0.224841 0.303 Uiso 1 1 calc R U . . .
H12C H 1.946400 -0.018718 -0.183515 0.303 Uiso 1 1 calc R U . . .
C31 C 1.6619(7) -0.0728(4) 0.0123(3) 0.240(5) Uani 1 1 d D U . . .
H31A H 1.655082 -0.054313 0.030369 0.360 Uiso 1 1 calc R U . . .
H31B H 1.705860 -0.067775 0.007477 0.360 Uiso 1 1 calc R U . . .
H31C H 1.660881 -0.099694 0.021036 0.360 Uiso 1 1 calc R U . . .
C125 C 1.5036(7) -0.1185(4) -0.0239(4) 0.234(5) Uani 1 1 d D U . . .
H12D H 1.528952 -0.127751 -0.000229 0.351 Uiso 1 1 calc R U . . .
H12E H 1.498485 -0.140116 -0.041049 0.351 Uiso 1 1 calc R U . . .
H12F H 1.458872 -0.109379 -0.022729 0.351 Uiso 1 1 calc R U . . .
C63 C 1.8272(7) -0.1548(4) -0.2660(3) 0.199(5) Uani 1 1 d D U . . .
H63A H 1.834301 -0.180918 -0.255152 0.299 Uiso 1 1 calc R U . . .
H63B H 1.840281 -0.154912 -0.288533 0.299 Uiso 1 1 calc R U . . .
H63C H 1.779414 -0.147569 -0.270476 0.299 Uiso 1 1 calc R U . . .
C127 C 1.6713(6) -0.0112(4) -0.0462(4) 0.217(5) Uani 1 1 d D U . . .
H12G H 1.656422 0.016191 -0.047841 0.326 Uiso 1 1 calc R U . . .
H12H H 1.688395 -0.017768 -0.066807 0.326 Uiso 1 1 calc R U . . .
H12I H 1.707245 -0.015029 -0.024180 0.326 Uiso 1 1 calc R U . . .
C2 C 0.9080(6) 0.2061(4) -0.1318(3) 0.205(5) Uani 1 1 d D U . . .
H2A H 0.924781 0.222803 -0.110781 0.307 Uiso 1 1 calc R U . . .
H2B H 0.916104 0.178510 -0.124902 0.307 Uiso 1 1 calc R U . . .
H2C H 0.859353 0.210453 -0.141497 0.307 Uiso 1 1 calc R U . . .
C129 C 1.5425(9) -0.0088(5) -0.1063(4) 0.259(6) Uani 1 1 d D U . . .
H12J H 1.574211 0.013256 -0.100611 0.388 Uiso 1 1 calc DR U . . .
H12K H 1.495987 0.001234 -0.112464 0.388 Uiso 1 1 calc R U . . .
H12L H 1.550293 -0.023340 -0.126672 0.388 Uiso 1 1 calc R U . . .
C65 C 1.4809(6) -0.3645(4) 0.0013(4) 0.203(5) Uani 1 1 d D U . . .
H65A H 1.502972 -0.354110 0.025062 0.304 Uiso 1 1 calc R U . . .
H65B H 1.455326 -0.388164 0.003799 0.304 Uiso 1 1 calc R U . . .
H65C H 1.449998 -0.344704 -0.012286 0.304 Uiso 1 1 calc R U . . .
C131 C 0.9718(5) 0.2182(3) -0.21418(19) 0.177(3) Uani 1 1 d DG U . . .
C33 C 1.0118(4) 0.2468(2) -0.1916(2) 0.168(3) Uani 1 1 d DG U . . .
C133 C 0.9953(4) 0.2457(2) -0.1582(2) 0.163(3) Uani 1 1 d DG U . . .
C67 C 0.9452(4) 0.2163(3) -0.1602(2) 0.164(3) Uani 1 1 d DG U . . .
C135 C 0.9307(4) 0.1994(2) -0.1948(2) 0.176(3) Uani 1 1 d DG U . . .
C17 C 1.6360(7) -0.3817(4) 0.0384(3) 0.209(5) Uani 1 1 d D U . . .
H17A H 1.684819 -0.386199 0.043195 0.314 Uiso 1 1 calc R U . . .
H17B H 1.627879 -0.356556 0.048837 0.314 Uiso 1 1 calc R U . . .
H17C H 1.615370 -0.402889 0.048959 0.314 Uiso 1 1 calc R U . . .
C137 C 2.0049(6) -0.0912(4) -0.1598(3) 0.214(5) Uani 1 1 d D U . . .
H13A H 1.994238 -0.069247 -0.145859 0.321 Uiso 1 1 calc R U . . .
H13B H 2.047259 -0.085796 -0.166145 0.321 Uiso 1 1 calc R U . . .
H13C H 2.009707 -0.115281 -0.145534 0.321 Uiso 1 1 calc R U . . .
C69 C 1.4192(6) -0.0435(4) -0.3608(4) 0.218(5) Uani 1 1 d D U . . .
H69A H 1.437827 -0.018411 -0.350432 0.328 Uiso 1 1 calc R U . . .
H69B H 1.416986 -0.043852 -0.386290 0.328 Uiso 1 1 calc R U . . .
H69C H 1.448322 -0.064958 -0.348785 0.328 Uiso 1 1 calc R U . . .
C139 C 1.2149(7) -0.1079(4) -0.3295(4) 0.218(5) Uani 1 1 d D U . . .
H13D H 1.221233 -0.101379 -0.304213 0.327 Uiso 1 1 calc R U . . .
H13E H 1.231322 -0.134561 -0.331546 0.327 Uiso 1 1 calc R U . . .
H13F H 1.166669 -0.106357 -0.341859 0.327 Uiso 1 1 calc R U . . .
C35 C 1.4612(6) -0.3686(4) -0.0856(4) 0.233(5) Uani 1 1 d D U . . .
H35A H 1.439473 -0.344993 -0.079283 0.350 Uiso 1 1 calc R U . . .
H35B H 1.429874 -0.390764 -0.088352 0.350 Uiso 1 1 calc R U . . .
H35C H 1.473403 -0.364118 -0.108089 0.350 Uiso 1 1 calc R U . . .
C141 C 1.0242(7) -0.2801(4) -0.1591(3) 0.214(5) Uani 1 1 d D U . . .
H14A H 1.034867 -0.252093 -0.155999 0.322 Uiso 1 1 calc R U . . .
H14B H 0.977250 -0.283390 -0.173038 0.322 Uiso 1 1 calc R U . . .
H14C H 1.054564 -0.292574 -0.171608 0.322 Uiso 1 1 calc R U . . .
C71 C 1.0234(7) 0.2725(4) -0.1267(3) 0.219(5) Uani 1 1 d D U . . .
H71A H 1.013969 0.299875 -0.134149 0.328 Uiso 1 1 calc R U . . .
H71B H 1.072386 0.268674 -0.118136 0.328 Uiso 1 1 calc R U . . .
H71C H 1.002008 0.266410 -0.107517 0.328 Uiso 1 1 calc R U . . .
C143 C 1.0666(7) 0.2733(4) -0.1993(4) 0.244(6) Uani 1 1 d D U . . .
H14D H 1.101629 0.278210 -0.177145 0.366 Uiso 1 1 calc R U . . .
H14E H 1.046441 0.298333 -0.209177 0.366 Uiso 1 1 calc R U . . .
H14F H 1.086914 0.260459 -0.216605 0.366 Uiso 1 1 calc R U . . .
C9 C 1.4430(7) -0.0736(5) -0.0954(4) 0.240(5) Uani 1 1 d D U . . .
H9A H 1.418003 -0.094265 -0.086732 0.361 Uiso 1 1 calc R U . . .
H9B H 1.452444 -0.082097 -0.117764 0.361 Uiso 1 1 calc R U . . .
H9C H 1.415713 -0.049594 -0.099670 0.361 Uiso 1 1 calc R U . . .
C145 C 1.4740(5) 0.2575(3) -0.2427(2) 0.189(3) Uani 1 1 d DG U . . .
C73 C 1.5425(5) 0.2685(2) -0.2387(2) 0.197(3) Uani 1 1 d DG U . . .
C147 C 1.5737(4) 0.2390(3) -0.2548(2) 0.196(3) Uani 1 1 d DG U . . .
C37 C 1.5245(5) 0.2098(2) -0.2687(2) 0.181(3) Uani 1 1 d DG U . . .
C149 C 1.4629(4) 0.2212(3) -0.2613(2) 0.179(3) Uani 1 1 d DG U . . .
C75 C 1.5890(5) -0.3855(3) -0.0626(2) 0.190(3) Uani 1 1 d DG U . . .
C151 C 1.5253(4) -0.3777(3) -0.0559(2) 0.184(3) Uani 1 1 d DG U . . .
C19 C 1.5350(4) -0.3747(3) -0.0184(3) 0.174(3) Uani 1 1 d DG U . . .
C153 C 1.6047(5) -0.3807(3) -0.0019(2) 0.177(3) Uani 1 1 d DG U . . .
C77 C 1.6381(4) -0.3873(3) -0.0292(3) 0.184(3) Uani 1 1 d DG U . . .
C155 C 1.4007(6) 0.1949(4) -0.2739(4) 0.237(6) Uani 1 1 d D U . . .
H15A H 1.414192 0.167377 -0.269805 0.355 Uiso 1 1 calc R U . . .
H15B H 1.380473 0.199190 -0.299431 0.355 Uiso 1 1 calc R U . . .
H15C H 1.367553 0.201347 -0.260534 0.355 Uiso 1 1 calc R U . . .
C39 C 1.9453(7) -0.1735(3) -0.1958(4) 0.205(5) Uani 1 1 d D U . . .
H39A H 1.943990 -0.175083 -0.170792 0.308 Uiso 1 1 calc R U . . .
H39B H 1.991448 -0.178518 -0.197552 0.308 Uiso 1 1 calc R U . . .
H39C H 1.914534 -0.193027 -0.209870 0.308 Uiso 1 1 calc R U . . .
C157 C 1.3621(7) -0.1222(3) -0.3360(4) 0.207(5) Uani 1 1 d D U . . .
H15G H 1.407639 -0.117280 -0.320741 0.311 Uiso 1 1 calc R U . . .
H15H H 1.365320 -0.134722 -0.358198 0.311 Uiso 1 1 calc R U . . .
H15I H 1.337618 -0.139499 -0.323476 0.311 Uiso 1 1 calc R U . . .
C79 C 1.5315(8) 0.1714(4) -0.2875(4) 0.240(5) Uani 1 1 d D U . . .
H79A H 1.556445 0.152389 -0.269976 0.361 Uiso 1 1 calc R U . . .
H79B H 1.556191 0.176045 -0.305635 0.361 Uiso 1 1 calc R U . . .
H79C H 1.486500 0.160961 -0.298934 0.361 Uiso 1 1 calc R U . . .
C159 C 1.1137(7) -0.3545(4) -0.1318(4) 0.236(6) Uani 1 1 d D U . . .
H15D H 1.137561 -0.336192 -0.143737 0.354 Uiso 1 1 calc R U . . .
H15E H 1.081671 -0.370103 -0.149808 0.354 Uiso 1 1 calc R U . . .
H15F H 1.146416 -0.371979 -0.116213 0.354 Uiso 1 1 calc R U . . .
C5 C 0.8753(7) 0.1690(4) -0.2054(4) 0.256(6) Uani 1 1 d D U . . .
H5A H 0.894895 0.143917 -0.209953 0.384 Uiso 1 1 calc R U . . .
H5B H 0.841916 0.177616 -0.227023 0.384 Uiso 1 1 calc R U . . .
H5C H 0.853185 0.165745 -0.185987 0.384 Uiso 1 1 calc R U . . .
C161 C 1.3014(8) 0.0200(3) -0.3794(4) 0.243(6) Uani 1 1 d D U . . .
H16J H 1.296080 0.039406 -0.361691 0.365 Uiso 1 1 calc R U . . .
H16K H 1.266050 0.023890 -0.401609 0.365 Uiso 1 1 calc R U . . .
H16L H 1.345951 0.023176 -0.384035 0.365 Uiso 1 1 calc R U . . .
C81 C 0.9818(9) 0.2111(5) -0.2521(3) 0.251(6) Uani 1 1 d D U . . .
H81A H 1.003622 0.185575 -0.252674 0.376 Uiso 1 1 calc R U . . .
H81B H 1.010300 0.231844 -0.257837 0.376 Uiso 1 1 calc R U . . .
H81C H 0.937655 0.211237 -0.269682 0.376 Uiso 1 1 calc R U . . .
C163 C 1.1024(8) -0.3750(3) -0.0520(4) 0.257(6) Uani 1 1 d D U . . .
H16A H 1.151209 -0.374514 -0.049727 0.385 Uiso 1 1 calc R U . . .
H16B H 1.083519 -0.399887 -0.062875 0.385 Uiso 1 1 calc R U . . .
H16C H 1.094238 -0.372587 -0.028297 0.385 Uiso 1 1 calc R U . . .
C41 C 1.5795(8) 0.3034(4) -0.2166(4) 0.258(6) Uani 1 1 d D U . . .
H41A H 1.546722 0.324039 -0.215669 0.388 Uiso 1 1 calc R U . . .
H41B H 1.613637 0.313658 -0.227826 0.388 Uiso 1 1 calc R U . . .
H41C H 1.601515 0.294540 -0.192331 0.388 Uiso 1 1 calc R U . . .
C165 C 1.4272(8) 0.2770(4) -0.2232(4) 0.246(5) Uani 1 1 d D U . . .
H16D H 1.430321 0.263362 -0.200602 0.370 Uiso 1 1 calc R U . . .
H16E H 1.380495 0.275831 -0.238050 0.370 Uiso 1 1 calc R U . . .
H16F H 1.440496 0.304520 -0.218352 0.370 Uiso 1 1 calc R U . . .
C83 C 1.6482(6) 0.2376(5) -0.2564(4) 0.250(5) Uani 1 1 d D U . . .
H83A H 1.677949 0.241544 -0.232393 0.375 Uiso 1 1 calc R U . . .
H83B H 1.656284 0.258280 -0.272288 0.375 Uiso 1 1 calc R U . . .
H83C H 1.657659 0.211951 -0.265482 0.375 Uiso 1 1 calc R U . . .
C167 C 0.9543(6) -0.2522(4) -0.1034(4) 0.221(5) Uani 1 1 d D U . . .
H16G H 0.934861 -0.247972 -0.083113 0.331 Uiso 1 1 calc R U . . .
H16H H 0.980553 -0.229039 -0.106545 0.331 Uiso 1 1 calc R U . . .
H16I H 0.917751 -0.256427 -0.125085 0.331 Uiso 1 1 calc R U . . .
C21 C 1.0039(7) -0.3121(5) -0.0308(3) 0.239(5) Uani 1 1 d D U . . .
H21A H 1.006819 -0.338418 -0.020256 0.359 Uiso 1 1 calc R U . . .
H21B H 0.957690 -0.302113 -0.034565 0.359 Uiso 1 1 calc R U . . .
H21C H 1.035480 -0.294558 -0.014590 0.359 Uiso 1 1 calc R U . . .
O9 O 1.5654(7) 0.0079(4) 0.0219(4) 0.267(4) Uani 1 1 d D U . . .
O19 O 1.4899(8) -0.0306(4) 0.0216(4) 0.261(4) Uani 1 1 d D U . . .
C169 C 1.1682(6) -0.0207(5) -0.3670(5) 0.253(6) Uani 1 1 d D U . . .
H16M H 1.148447 -0.025120 -0.346886 0.380 Uiso 1 1 calc R U . . .
H16N H 1.138690 -0.032120 -0.388705 0.380 Uiso 1 1 calc R U . . .
H16O H 1.172850 0.007534 -0.370432 0.380 Uiso 1 1 calc R U . . .
C85 C 1.6048(8) -0.3866(5) -0.0997(3) 0.256(6) Uani 1 1 d D U . . .
H85A H 1.564391 -0.395176 -0.117876 0.384 Uiso 1 1 calc R U . . .
H85B H 1.641833 -0.405083 -0.098954 0.384 Uiso 1 1 calc R U . . .
H85C H 1.617970 -0.360405 -0.105755 0.384 Uiso 1 1 calc R U . . .
C171 C 1.7097(6) -0.3998(4) -0.0258(4) 0.237(5) Uani 1 1 d D U . . .
H17D H 1.735610 -0.377492 -0.031262 0.356 Uiso 1 1 calc R U . . .
H17E H 1.710311 -0.421183 -0.042573 0.356 Uiso 1 1 calc R U . . .
H17F H 1.730089 -0.408755 -0.001382 0.356 Uiso 1 1 calc R U . . .
C43 C 1.6275(9) 0.0337(6) 0.0323(6) 0.295(7) Uani 1 1 d D U . . .
H43A H 1.667060 0.018795 0.029878 0.443 Uiso 1 1 calc R U . . .
H43B H 1.634600 0.042314 0.057052 0.443 Uiso 1 1 calc R U . . .
H43C H 1.621197 0.056639 0.016533 0.443 Uiso 1 1 calc R U . . .
C173 C 1.4941(12) -0.0562(5) 0.0539(5) 0.326(8) Uani 1 1 d D U . . .
H17G H 1.464157 -0.045724 0.067721 0.489 Uiso 1 1 calc R U . . .
H17H H 1.479999 -0.082984 0.046143 0.489 Uiso 1 1 calc R U . . .
H17I H 1.540723 -0.056592 0.068844 0.489 Uiso 1 1 calc R U . . .
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'
F F 0.0583 0.0400 '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 0.0241 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'
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
O1 Rh1 C118 157.9(3) . . ?
O1 Rh1 C120 146.5(3) . . ?
O1 Rh1 C122 109.7(2) . . ?
O1 Rh1 C124 96.6(2) . . ?
O4 Rh1 O1 77.7(2) . . ?
O4 Rh1 N4 86.5(2) . . ?
O4 Rh1 C116 100.4(2) . . ?
O4 Rh1 C118 103.2(2) . . ?
O4 Rh1 C120 135.7(3) . . ?
O4 Rh1 C122 165.7(2) . . ?
O4 Rh1 C124 130.0(3) . . ?
N4 Rh1 O1 83.6(2) . . ?
N4 Rh1 C116 157.5(3) . . ?
N4 Rh1 C118 118.4(3) . . ?
N4 Rh1 C120 94.7(2) . . ?
N4 Rh1 C122 106.2(3) . . ?
N4 Rh1 C124 142.8(3) . . ?
C116 Rh1 O1 118.7(3) . . ?
C116 Rh1 C118 39.27(11) . . ?
C116 Rh1 C120 65.40(13) . . ?
C116 Rh1 C122 65.37(13) . . ?
C116 Rh1 C124 39.24(11) . . ?
C118 Rh1 C120 38.87(11) . . ?
C118 Rh1 C122 65.12(13) . . ?
C118 Rh1 C124 65.56(13) . . ?
C120 Rh1 C122 38.61(11) . . ?
C124 Rh1 C120 65.10(13) . . ?
C124 Rh1 C122 38.83(11) . . ?
O10 Rh4 O16 77.1(2) . . ?
O10 Rh4 N12 83.9(2) . . ?
O10 Rh4 C113 160.4(3) . . ?
O10 Rh4 C57 121.4(3) . . ?
O10 Rh4 C115 97.1(2) . . ?
O10 Rh4 C29 107.2(3) . . ?
O10 Rh4 C117 143.4(3) . . ?
O16 Rh4 C113 104.3(3) . . ?
O16 Rh4 C57 97.0(2) . . ?
O16 Rh4 C115 123.8(3) . . ?
O16 Rh4 C29 162.0(3) . . ?
N12 Rh4 O16 85.9(2) . . ?
N12 Rh4 C113 115.7(3) . . ?
N12 Rh4 C57 154.6(3) . . ?
N12 Rh4 C115 149.8(3) . . ?
N12 Rh4 C29 111.7(3) . . ?
N12 Rh4 C117 95.9(2) . . ?
C113 Rh4 C57 39.15(12) . . ?
C113 Rh4 C115 65.61(14) . . ?
C113 Rh4 C29 65.66(14) . . ?
C57 Rh4 C115 39.09(11) . . ?
C29 Rh4 C57 65.59(14) . . ?
C29 Rh4 C115 39.10(12) . . ?
C117 Rh4 O16 139.5(3) . . ?
C117 Rh4 C113 39.19(12) . . ?
C117 Rh4 C57 65.66(14) . . ?
C117 Rh4 C115 65.62(14) . . ?
C117 Rh4 C29 39.16(12) . . ?
O20 Rh6 O5 77.3(2) . . ?
O20 Rh6 C25 151.0(3) . . ?
O20 Rh6 C51 97.3(3) . . ?
O20 Rh6 C103 117.6(3) . . ?
O20 Rh6 C13 155.3(3) . . ?
O5 Rh6 C103 97.5(3) . . ?
O5 Rh6 C13 99.7(3) . . ?
N5 Rh6 O20 83.9(3) . . ?
N5 Rh6 O5 85.5(3) . . ?
N5 Rh6 C25 97.6(3) . . ?
N5 Rh6 C51 146.7(3) . . ?
N5 Rh6 C103 158.5(3) . . ?
N5 Rh6 C13 120.6(3) . . ?
C25 Rh6 O5 131.7(3) . . ?
C25 Rh6 C103 64.52(15) . . ?
C25 Rh6 C13 38.31(12) . . ?
C101 Rh6 O20 112.6(3) . . ?
C101 Rh6 O5 162.7(3) . . ?
C101 Rh6 N5 109.1(3) . . ?
C101 Rh6 C25 39.52(13) . . ?
C101 Rh6 C51 39.86(13) . . ?
C101 Rh6 C103 65.52(15) . . ?
C101 Rh6 C13 65.17(15) . . ?
C51 Rh6 O5 127.4(3) . . ?
C51 Rh6 C25 65.86(15) . . ?
C51 Rh6 C103 38.77(13) . . ?
C51 Rh6 C13 64.70(15) . . ?
C103 Rh6 C13 37.93(12) . . ?
O8 Rh7 C131 101.9(3) . . ?
O8 Rh7 C33 101.5(3) . . ?
O8 Rh7 C133 131.3(3) . . ?
O8 Rh7 C67 165.7(3) . . ?
O14 Rh7 O8 78.4(2) . . ?
O14 Rh7 N2 85.6(3) . 3_855 ?
O14 Rh7 C131 113.9(3) . . ?
O14 Rh7 C33 152.4(3) . . ?
O14 Rh7 C133 150.2(3) . . ?
O14 Rh7 C67 112.2(3) . . ?
O14 Rh7 C135 94.7(3) . . ?
N2 Rh7 O8 85.9(2) 3_855 . ?
N2 Rh7 C131 160.0(3) 3_855 . ?
N2 Rh7 C33 122.0(3) 3_855 . ?
N2 Rh7 C133 96.2(3) 3_855 . ?
N2 Rh7 C67 104.0(3) 3_855 . ?
N2 Rh7 C135 139.8(3) 3_855 . ?
C131 Rh7 C33 38.63(14) . . ?
C131 Rh7 C133 64.66(16) . . ?
C131 Rh7 C67 65.39(17) . . ?
C33 Rh7 C133 38.19(13) . . ?
C67 Rh7 C33 64.61(16) . . ?
C67 Rh7 C133 38.52(13) . . ?
C135 Rh7 O8 133.6(3) . . ?
C135 Rh7 C131 39.30(15) . . ?
C135 Rh7 C33 65.13(17) . . ?
C135 Rh7 C133 65.04(16) . . ?
C135 Rh7 C67 39.22(14) . . ?
O3 Rh2 C145 98.4(3) 3_855 . ?
O3 Rh2 C73 96.2(3) 3_855 . ?
O3 Rh2 C149 129.8(3) 3_855 . ?
N9 Rh2 O3 86.4(2) . 3_855 ?
N9 Rh2 C145 116.7(3) . . ?
N9 Rh2 C73 154.2(3) . . ?
N9 Rh2 C149 95.1(2) . . ?
O2 Rh2 O3 76.7(3) 3_855 3_855 ?
O2 Rh2 N9 85.6(2) 3_855 . ?
O2 Rh2 C145 157.1(3) 3_855 . ?
O2 Rh2 C73 120.0(3) 3_855 . ?
O2 Rh2 C147 100.4(3) 3_855 . ?
O2 Rh2 C37 115.9(3) 3_855 . ?
O2 Rh2 C149 153.4(3) 3_855 . ?
C73 Rh2 C145 37.48(13) . . ?
C73 Rh2 C149 63.65(16) . . ?
C147 Rh2 O3 126.9(3) . 3_855 ?
C147 Rh2 N9 146.7(3) . . ?
C147 Rh2 C145 64.22(16) . . ?
C147 Rh2 C73 38.93(13) . . ?
C147 Rh2 C37 39.99(15) . . ?
C147 Rh2 C149 65.30(15) . . ?
C37 Rh2 O3 160.9(3) . 3_855 ?
C37 Rh2 N9 108.0(3) . . ?
C37 Rh2 C145 64.19(15) . . ?
C37 Rh2 C73 65.33(16) . . ?
C37 Rh2 C149 38.87(13) . . ?
C149 Rh2 C145 37.46(13) . . ?
O11 Rh5 N11 83.6(3) . 3_855 ?
O11 Rh5 C75 96.1(3) . . ?
O11 Rh5 C151 102.6(3) . . ?
O11 Rh5 C19 136.0(3) . . ?
O15 Rh5 O11 77.9(3) . . ?
O15 Rh5 N11 86.1(3) . 3_855 ?
O15 Rh5 C75 120.6(3) . . ?
O15 Rh5 C151 158.8(3) . . ?
O15 Rh5 C19 146.0(3) . . ?
N11 Rh5 C75 152.8(4) 3_855 . ?
N11 Rh5 C151 115.0(4) 3_855 . ?
N11 Rh5 C19 96.4(3) 3_855 . ?
C75 Rh5 C151 38.35(14) . . ?
C75 Rh5 C19 65.00(17) . . ?
C19 Rh5 C151 38.11(14) . . ?
C153 Rh5 O11 162.8(3) . . ?
C153 Rh5 O15 108.6(3) . . ?
C153 Rh5 N11 112.2(3) . 3_855 ?
C153 Rh5 C75 66.77(17) . . ?
C153 Rh5 C151 65.41(17) . . ?
C153 Rh5 C19 39.39(14) . . ?
C77 Rh5 O11 124.2(3) . . ?
C77 Rh5 O15 96.2(3) . . ?
C77 Rh5 N11 152.0(4) . 3_855 ?
C77 Rh5 C75 39.89(15) . . ?
C77 Rh5 C151 65.72(17) . . ?
C77 Rh5 C19 66.53(17) . . ?
C77 Rh5 C153 40.70(16) . . ?
C53 Rh3 Rh3 142.5(2) . 3_855 ?
C53 Rh3 C55 37.38(13) . . ?
C107 Rh3 Rh3 149.6(3) . 3_855 ?
C107 Rh3 C53 39.41(14) . . ?
C107 Rh3 C109 66.38(15) . . ?
C107 Rh3 C55 64.72(16) . . ?
C107 Rh3 O9 141.2(5) . . ?
C107 Rh3 O9 119.1(5) . 3_855 ?
C107 Rh3 O19 162.2(5) . 3_855 ?
C107 Rh3 O19 108.1(4) . . ?
C27 Rh3 Rh3 150.2(3) . 3_855 ?
C27 Rh3 C53 66.37(15) . . ?
C27 Rh3 C107 41.10(15) . . ?
C27 Rh3 C109 39.42(14) . . ?
C27 Rh3 C55 64.72(16) . . ?
C27 Rh3 O9 108.9(5) . . ?
C27 Rh3 O9 159.8(5) . 3_855 ?
C27 Rh3 O19 119.3(5) . . ?
C27 Rh3 O19 141.8(5) . 3_855 ?
C109 Rh3 Rh3 143.3(2) . 3_855 ?
C109 Rh3 C53 63.97(16) . . ?
C109 Rh3 C55 37.39(13) . . ?
C55 Rh3 Rh3 139.6(2) . 3_855 ?
O9 Rh3 Rh3 43.7(4) . 3_855 ?
O9 Rh3 Rh3 42.4(3) 3_855 3_855 ?
O9 Rh3 C53 100.5(4) 3_855 . ?
O9 Rh3 C53 171.1(5) . . ?
O9 Rh3 C109 149.8(5) 3_855 . ?
O9 Rh3 C109 107.5(5) . . ?
O9 Rh3 C55 114.8(5) 3_855 . ?
O9 Rh3 C55 134.2(5) . . ?
O9 Rh3 O9 86.0(6) . 3_855 ?
O9 Rh3 O19 55.8(5) . 3_855 ?
O19 Rh3 Rh3 41.7(3) 3_855 3_855 ?
O19 Rh3 Rh3 43.3(4) . 3_855 ?
O19 Rh3 C53 122.9(5) 3_855 . ?
O19 Rh3 C53 128.9(5) . . ?
O19 Rh3 C109 153.9(5) . . ?
O19 Rh3 C109 107.0(4) 3_855 . ?
O19 Rh3 C55 165.2(5) . . ?
O19 Rh3 C55 99.7(4) 3_855 . ?
O19 Rh3 O9 56.0(5) . 3_855 ?
O19 Rh3 O9 58.0(4) 3_855 3_855 ?
O19 Rh3 O9 59.8(5) . . ?
O19 Rh3 O19 85.0(6) . 3_855 ?
C52 O1 Rh1 112.3(5) . . ?
N1 O4 Rh1 111.1(4) . . ?
C58 O8 Rh7 114.0(6) . . ?
N6 O10 Rh4 111.3(5) . . ?
N8 O14 Rh7 110.4(5) . . ?
O4 N1 C12 117.8(7) . . ?
C52 N1 O4 117.8(7) . . ?
C52 N1 C12 124.3(8) . . ?
C66 O16 Rh4 113.9(6) . . ?
N10 O20 Rh6 110.8(5) . . ?
C110 O5 Rh6 112.7(6) . . ?
C1 N4 Rh1 119.1(3) . . ?
C1 N4 C10 120.0 . . ?
C10 N4 Rh1 120.9(3) . . ?
N4 C1 H1 120.0 . . ?
C4 C1 N4 120.0 . . ?
C4 C1 H1 120.0 . . ?
C1 C4 H4 120.0 . . ?
C1 C4 C6 120.0 . . ?
C6 C4 H4 120.0 . . ?
C4 C6 C121 121.2(6) . . ?
C8 C6 C4 120.0 . . ?
C8 C6 C121 118.8(6) . . ?
C6 C8 H8 120.0 . . ?
C10 C8 C6 120.0 . . ?
C10 C8 H8 120.0 . . ?
N4 C10 H10 120.0 . . ?
C8 C10 N4 120.0 . . ?
C8 C10 H10 120.0 . . ?
O10 N6 C14 115.2(8) . . ?
C66 N6 O10 117.9(8) . . ?
C66 N6 C14 126.8(9) . . ?
C54 O11 Rh5 109.8(7) . . ?
C134 O3 Rh2 113.5(7) . 3_855 ?
N1 C12 C168 116.3(8) . . ?
O18 C12 N1 118.9(8) . . ?
O18 C12 C168 124.8(9) . . ?
O6 C14 N6 121.2(9) . . ?
O6 C14 C90 124.1(9) . . ?
N6 C14 C90 114.7(8) . . ?
O14 N8 C140 119.4(8) . . ?
C58 N8 O14 117.7(8) . . ?
C58 N8 C140 122.9(9) . . ?
O20 N10 C62 117.3(7) . . ?
O20 N10 C110 118.6(8) . . ?
C110 N10 C62 124.0(9) . . ?
C16 N12 Rh4 120.5(4) . . ?
C16 N12 C24 120.0 . . ?
C24 N12 Rh4 119.4(4) . . ?
N12 C16 H16 120.0 . . ?
N12 C16 C18 120.0 . . ?
C18 C16 H16 120.0 . . ?
C16 C18 H18 120.0 . . ?
C16 C18 C20 120.0 . . ?
C20 C18 H18 120.0 . . ?
C18 C20 C89 119.3(7) . . ?
C22 C20 C18 120.0 . . ?
C22 C20 C89 120.7(7) . . ?
C20 C22 H22 120.0 . . ?
C20 C22 C24 120.0 . . ?
C24 C22 H22 120.0 . . ?
N12 C24 H24 120.0 . . ?
C22 C24 N12 120.0 . . ?
C22 C24 H24 120.0 . . ?
C128 N3 O2 113.1(9) . . ?
C134 N3 O2 114.8(9) . . ?
C134 N3 C128 132.0(9) . . ?
C28 C26 C62 118.7(9) . . ?
C30 C26 C28 120.7(9) . . ?
C30 C26 C62 120.5(8) . . ?
C26 C28 C64 121.7(9) . . ?
C60 C28 C26 119.2(8) . . ?
C60 C28 C64 119.0(9) . . ?
C26 C30 H30 119.7 . . ?
C26 C30 C114 120.6(9) . . ?
C114 C30 H30 119.7 . . ?
C54 N7 O15 115.4(10) . . ?
C54 N7 C11 125.7(11) . . ?
C11 N7 O15 118.5(10) . . ?
C32 N2 Rh7 118.9(4) . 3_855 ?
C32 N2 C40 120.0 . . ?
C40 N2 Rh7 121.0(4) . 3_855 ?
N2 C32 H32 120.0 . . ?
C34 C32 N2 120.0 . . ?
C34 C32 H32 120.0 . . ?
C32 C34 H34 120.0 . . ?
C32 C34 C36 120.0 . . ?
C36 C34 H34 120.0 . . ?
C34 C36 C38 120.0 . . ?
C34 C36 C126 122.4(7) . . ?
C38 C36 C126 117.5(7) . . ?
C36 C38 H38 120.0 . . ?
C40 C38 C36 120.0 . . ?
C40 C38 H38 120.0 . . ?
N2 C40 H40 120.0 . . ?
C38 C40 N2 120.0 . . ?
C38 C40 H40 120.0 . . ?
C42 N9 Rh2 120.4(4) . . ?
C50 N9 Rh2 119.3(4) . . ?
C50 N9 C42 120.0 . . ?
N9 C42 H42 120.0 . . ?
C44 C42 N9 120.0 . . ?
C44 C42 H42 120.0 . . ?
C42 C44 H44 120.0 . . ?
C42 C44 C46 120.0 . . ?
C46 C44 H44 120.0 . . ?
C44 C46 C91 120.0(8) . . ?
C48 C46 C44 120.0 . . ?
C48 C46 C91 119.9(8) . . ?
C46 C48 H48 120.0 . . ?
C46 C48 C50 120.0 . . ?
C50 C48 H48 120.0 . . ?
N9 C50 H50 120.0 . . ?
C48 C50 N9 120.0 . . ?
C48 C50 H50 120.0 . . ?
O1 C52 N1 121.0(7) . . ?
O1 C52 C96 120.0(7) . . ?
N1 C52 C96 119.0(7) . . ?
O11 C54 N7 125.3(11) . . ?
O11 C54 C84 116.5(10) . . ?
N7 C54 C84 118.2(10) . . ?
N7 O15 Rh5 111.5(6) . . ?
C49 N5 Rh6 119.4(8) . . ?
C49 N5 C119 116.6(10) . . ?
C119 N5 Rh6 123.8(7) . . ?
C126 C56 C74 177.9(14) . . ?
O8 C58 N8 119.1(9) . . ?
O8 C58 C106 124.0(9) . . ?
N8 C58 C106 116.8(9) . . ?
C106 C60 C28 119.4(8) . . ?
C106 C60 C108 120.4(9) . . ?
C108 C60 C28 120.2(9) . . ?
O12 C62 N10 118.1(9) . . ?
O12 C62 C26 124.6(9) . . ?
N10 C62 C26 117.2(9) . . ?
N3 O2 Rh2 113.3(6) . 3_855 ?
C110 C64 C28 118.9(9) . . ?
C138 C64 C28 116.5(9) . . ?
C138 C64 C110 124.6(9) . . ?
O16 C66 N6 119.7(9) . . ?
O16 C66 C80 124.1(9) . . ?
N6 C66 C80 116.2(9) . . ?
C70 C68 C78 120.0 . . ?
C70 C68 C93 120.6(6) . . ?
C78 C68 C93 119.4(6) . . ?
C68 C70 H70 120.0 . . ?
C68 C70 C72 120.0 . . ?
C72 C70 H70 120.0 . . ?
C70 C72 H72 120.0 . . ?
C74 C72 C70 120.0 . . ?
C74 C72 H72 120.0 . . ?
C72 C74 C56 119.5(7) . . ?
C72 C74 C76 120.0 . . ?
C76 C74 C56 120.4(7) . . ?
C74 C76 H76 120.0 . . ?
C74 C76 C78 120.0 . . ?
C78 C76 H76 120.0 . . ?
C68 C78 H78 120.0 . . ?
C76 C78 C68 120.0 . . ?
C76 C78 H78 120.0 . . ?
C88 C80 C66 121.6(9) . . ?
C132 C80 C66 120.1(9) . . ?
C132 C80 C88 118.1(8) . . ?
C84 C82 H82 120.0 . . ?
C84 C82 C92 120.0 . . ?
C92 C82 H82 120.0 . . ?
C82 C84 C54 122.7(7) . . ?
C82 C84 C86 120.0 . . ?
C86 C84 C54 117.3(6) . . ?
C84 C86 C112 119.9(6) . . ?
C88 C86 C84 120.0 . . ?
C88 C86 C112 120.0(6) . . ?
C80 C88 C86 120.2(6) . . ?
C80 C88 C90 119.8(6) . . ?
C86 C88 C90 120.0 . . ?
C88 C90 C14 120.8(6) . . ?
C88 C90 C92 120.0 . . ?
C92 C90 C14 119.2(6) . . ?
C82 C92 H92 120.0 . . ?
C90 C92 C82 120.0 . . ?
C90 C92 H92 120.0 . . ?
C96 C94 H94 120.0 . . ?
C96 C94 C104 120.0 . . ?
C104 C94 H94 120.0 . . ?
C94 C96 C52 120.6(5) . . ?
C94 C96 C98 120.0 . . ?
C98 C96 C52 119.3(5) . . ?
C96 C98 C168 119.1(5) . . ?
C100 C98 C96 120.0 . . ?
C100 C98 C168 120.9(5) . . ?
C102 C100 C98 120.0 . . ?
C166 C100 C98 119.2(6) . . ?
C166 C100 C102 120.7(6) . . ?
C100 C102 C128 122.5(6) . . ?
C104 C102 C100 120.0 . . ?
C104 C102 C128 117.4(6) . . ?
C94 C104 H104 120.0 . . ?
C102 C104 C94 120.0 . . ?
C102 C104 H104 120.0 . . ?
C45 N11 Rh5 120.8(8) . 3_855 ?
C45 N11 C15 120.1(10) . . ?
C15 N11 Rh5 117.9(8) . 3_855 ?
C60 C106 C58 121.4(9) . . ?
C60 C106 C114 120.2(9) . . ?
C114 C106 C58 118.3(9) . . ?
C60 C108 C140 119.3(10) . . ?
C160 C108 C60 119.4(10) . . ?
C160 C108 C140 121.1(10) . . ?
O5 C110 N10 118.3(9) . . ?
O5 C110 C64 122.5(9) . . ?
N10 C110 C64 119.1(9) . . ?
C11 C112 C86 116.8(9) . . ?
C23 C112 C86 119.1(9) . . ?
C23 C112 C11 124.1(10) . . ?
C30 C114 C106 119.9(9) . . ?
C30 C114 H114 120.0 . . ?
C106 C114 H114 120.0 . . ?
C118 C116 Rh1 70.9(3) . . ?
C118 C116 C124 108.0 . . ?
C118 C116 C163 126.3(8) . . ?
C124 C116 Rh1 71.0(3) . . ?
C124 C116 C163 125.6(8) . . ?
C163 C116 Rh1 125.7(7) . . ?
C116 C118 Rh1 69.8(3) . . ?
C116 C118 C120 108.0 . . ?
C116 C118 C159 127.6(7) . . ?
C120 C118 Rh1 71.6(3) . . ?
C120 C118 C159 124.0(7) . . ?
C159 C118 Rh1 129.7(7) . . ?
C118 C120 Rh1 69.6(3) . . ?
C118 C120 C141 125.6(7) . . ?
C122 C120 Rh1 70.8(3) . . ?
C122 C120 C118 108.0 . . ?
C122 C120 C141 126.4(7) . . ?
C141 C120 Rh1 126.6(7) . . ?
C120 C122 Rh1 70.6(3) . . ?
C120 C122 C124 108.0 . . ?
C120 C122 C167 117.9(7) . . ?
C124 C122 Rh1 69.6(3) . . ?
C124 C122 C167 134.0(7) . . ?
C167 C122 Rh1 122.7(7) . . ?
C116 C124 Rh1 69.7(3) . . ?
C116 C124 C122 108.0 . . ?
C116 C124 C21 125.0(8) . . ?
C122 C124 Rh1 71.6(3) . . ?
C122 C124 C21 126.8(8) . . ?
C21 C124 Rh1 120.7(7) . . ?
C56 C126 C36 171.1(13) . . ?
N3 C128 C102 108.9(9) . . ?
O7 C128 N3 128.2(10) . . ?
O7 C128 C102 122.5(10) . . ?
C87 C130 C47 124.4(10) . . ?
C87 C130 C99 119.0(10) . . ?
C47 C130 C99 116.6(10) . . ?
C80 C132 H132 117.9 . . ?
C80 C132 C23 124.3(9) . . ?
C23 C132 H132 117.9 . . ?
O3 C134 N3 121.4(10) . . ?
O3 C134 C166 122.7(11) . . ?
N3 C134 C166 115.9(10) . . ?
C158 C136 H136 120.0 . . ?
C158 C136 C49 120.1(10) . . ?
C49 C136 H136 120.0 . . ?
C64 C138 H138 118.6 . . ?
C160 C138 C64 122.8(10) . . ?
C160 C138 H138 118.6 . . ?
N8 C140 C108 119.1(9) . . ?
O17 C140 N8 116.7(10) . . ?
O17 C140 C108 124.2(11) . . ?
C3 C142 C156 119.7(11) . . ?
C3 C142 C7 119.6(11) . . ?
C7 C142 C156 120.7(11) . . ?
C146 C144 C154 120.0 . . ?
C172 C144 C146 121.5(8) . . ?
C172 C144 C154 118.5(8) . . ?
C144 C146 H146 120.0 . . ?
C148 C146 C144 120.0 . . ?
C148 C146 H146 120.0 . . ?
C146 C148 H148 120.0 . . ?
C146 C148 C150 120.0 . . ?
C150 C148 H148 120.0 . . ?
C148 C150 C105 122.7(7) . . ?
C152 C150 C148 120.0 . . ?
C152 C150 C105 117.1(7) . . ?
C150 C152 H152 120.0 . . ?
C150 C152 C154 120.0 . . ?
C154 C152 H152 120.0 . . ?
C144 C154 H154 120.0 . . ?
C152 C154 C144 120.0 . . ?
C152 C154 H154 120.0 . . ?
C95 C156 C142 178.1(14) . . ?
C136 C158 C174 118.7(11) . . ?
C59 C158 C136 120.0(11) . . ?
C59 C158 C174 121.3(12) . . ?
C108 C160 C138 121.8(10) . . ?
C108 C160 H160 119.1 . . ?
C138 C160 H160 119.1 . . ?
C164 C162 H162 120.6 . . ?
C168 C162 H162 120.6 . . ?
C168 C162 C164 118.8(8) . . ?
C162 C164 H164 119.6 . . ?
C166 C164 C162 120.7(8) . . ?
C166 C164 H164 119.6 . . ?
C100 C166 C134 120.0(9) . . ?
C164 C166 C100 121.3(8) . . ?
C164 C166 C134 118.7(9) . . ?
C98 C168 C12 121.8(7) . . ?
C98 C168 C162 118.8(7) . . ?
C162 C168 C12 119.3(8) . . ?
C97 C170 C95 126.4(12) . . ?
C97 C170 C111 117.4(11) . . ?
C111 C170 C95 116.1(11) . . ?
C91 C172 C144 176.2(12) . . ?
C93 C174 C158 172.3(11) . . ?
C130 C87 H87 118.8 . . ?
C130 C87 C3 122.3(11) . . ?
C3 C87 H87 118.8 . . ?
O13 C11 N7 121.0(11) . . ?
O13 C11 C112 117.2(11) . . ?
N7 C11 C112 121.7(11) . . ?
C47 C89 C20 177.5(11) . . ?
N11 C45 H45 119.0 . . ?
N11 C45 C111 121.9(11) . . ?
C111 C45 H45 119.0 . . ?
C172 C91 C46 176.0(12) . . ?
C112 C23 C132 118.2(10) . . ?
C112 C23 H23 120.9 . . ?
C132 C23 H23 120.9 . . ?
C174 C93 C68 175.8(12) . . ?
C89 C47 C130 172.6(12) . . ?
C156 C95 C170 170.5(14) . . ?
C142 C3 C87 120.4(11) . . ?
C142 C3 H3 119.8 . . ?
C87 C3 H3 119.8 . . ?
C170 C97 H97 118.0 . . ?
C170 C97 C15 124.0(12) . . ?
C15 C97 H97 118.0 . . ?
N5 C49 C136 118.7(10) . . ?
N5 C49 H49 120.6 . . ?
C136 C49 H49 120.6 . . ?
C130 C99 H99 122.0 . . ?
C7 C99 C130 115.9(11) . . ?
C7 C99 H99 122.0 . . ?
C101 C25 Rh6 67.9(3) . . ?
C101 C25 C157 126.6(7) . . ?
C13 C25 Rh6 73.3(3) . . ?
C13 C25 C101 108.0 . . ?
C13 C25 C157 125.0(7) . . ?
C157 C25 Rh6 130.2(7) . . ?
C25 C101 Rh6 72.6(3) . . ?
C25 C101 C69 124.9(7) . . ?
C51 C101 Rh6 71.2(3) . . ?
C51 C101 C25 108.0 . . ?
C51 C101 C69 126.8(7) . . ?
C69 C101 Rh6 126.8(7) . . ?
C101 C51 Rh6 68.9(3) . . ?
C101 C51 C103 108.0 . . ?
C101 C51 C161 124.2(8) . . ?
C103 C51 Rh6 73.6(3) . . ?
C103 C51 C161 127.7(8) . . ?
C161 C51 Rh6 124.0(7) . . ?
C51 C103 Rh6 67.6(3) . . ?
C51 C103 C169 124.1(8) . . ?
C13 C103 Rh6 71.8(3) . . ?
C13 C103 C51 108.0 . . ?
C13 C103 C169 127.9(8) . . ?
C169 C103 Rh6 127.4(8) . . ?
C25 C13 Rh6 68.4(3) . . ?
C25 C13 C139 121.7(7) . . ?
C103 C13 Rh6 70.3(3) . . ?
C103 C13 C25 108.0 . . ?
C103 C13 C139 129.0(7) . . ?
C139 C13 Rh6 116.7(7) . . ?
C121 C105 C150 178.3(13) . . ?
C107 C53 Rh3 64.7(3) . . ?
C107 C53 C55 108.0 . . ?
C107 C53 C9 131.9(8) . . ?
C55 C53 Rh3 74.6(3) . . ?
C55 C53 C9 119.8(8) . . ?
C9 C53 Rh3 131.0(8) . . ?
C53 C107 Rh3 75.9(4) . . ?
C53 C107 C27 108.0 . . ?
C53 C107 C125 117.1(8) . . ?
C27 C107 Rh3 69.4(4) . . ?
C27 C107 C125 134.9(8) . . ?
C125 C107 Rh3 121.4(7) . . ?
C107 C27 Rh3 69.5(4) . . ?
C107 C27 C109 108.0 . . ?
C107 C27 C31 133.7(8) . . ?
C109 C27 Rh3 75.9(4) . . ?
C109 C27 C31 118.1(8) . . ?
C31 C27 Rh3 116.9(7) . . ?
C27 C109 Rh3 64.7(3) . . ?
C27 C109 C127 131.3(8) . . ?
C55 C109 Rh3 74.6(4) . . ?
C55 C109 C27 108.0 . . ?
C55 C109 C127 120.5(8) . . ?
C127 C109 Rh3 130.3(8) . . ?
C53 C55 Rh3 68.0(3) . . ?
C53 C55 C129 127.6(8) . . ?
C109 C55 Rh3 68.0(3) . . ?
C109 C55 C53 108.0 . . ?
C109 C55 C129 124.3(8) . . ?
C129 C55 Rh3 132.5(9) . . ?
C170 C111 C45 118.3(12) . . ?
C170 C111 H111 120.8 . . ?
C45 C111 H111 120.8 . . ?
C142 C7 C99 122.1(11) . . ?
C142 C7 H7 118.9 . . ?
C99 C7 H7 118.9 . . ?
C57 C113 Rh4 70.6(3) . . ?
C57 C113 C137 125.1(7) . . ?
C117 C113 Rh4 70.4(3) . . ?
C117 C113 C57 108.0 . . ?
C117 C113 C137 126.9(7) . . ?
C137 C113 Rh4 124.2(7) . . ?
C113 C57 Rh4 70.3(3) . . ?
C113 C57 C39 127.4(7) . . ?
C115 C57 Rh4 70.5(3) . . ?
C115 C57 C113 108.0 . . ?
C115 C57 C39 124.4(7) . . ?
C39 C57 Rh4 120.3(7) . . ?
C57 C115 Rh4 70.4(3) . . ?
C57 C115 C29 108.0 . . ?
C57 C115 C63 127.8(7) . . ?
C29 C115 Rh4 70.3(3) . . ?
C29 C115 C63 124.2(7) . . ?
C63 C115 Rh4 123.1(7) . . ?
C115 C29 Rh4 70.6(3) . . ?
C115 C29 C61 122.4(7) . . ?
C117 C29 Rh4 70.3(3) . . ?
C117 C29 C115 108.0 . . ?
C117 C29 C61 129.5(7) . . ?
C61 C29 Rh4 127.5(6) . . ?
C113 C117 Rh4 70.4(3) . . ?
C113 C117 C29 108.0 . . ?
C113 C117 C123 125.1(7) . . ?
C29 C117 Rh4 70.6(3) . . ?
C29 C117 C123 126.8(7) . . ?
C123 C117 Rh4 126.6(7) . . ?
C158 C59 H59 120.3 . . ?
C158 C59 C119 119.4(12) . . ?
C119 C59 H59 120.3 . . ?
N5 C119 C59 125.0(11) . . ?
N5 C119 H119 117.5 . . ?
C59 C119 H119 117.5 . . ?
N11 C15 C97 118.0(11) . . ?
N11 C15 H15 121.0 . . ?
C97 C15 H15 121.0 . . ?
C105 C121 C6 169.8(13) . . ?
C29 C61 H61A 109.5 . . ?
C29 C61 H61B 109.5 . . ?
C29 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C117 C123 H12A 109.5 . . ?
C117 C123 H12B 109.5 . . ?
C117 C123 H12C 109.5 . . ?
H12A C123 H12B 109.5 . . ?
H12A C123 H12C 109.5 . . ?
H12B C123 H12C 109.5 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C107 C125 H12D 109.5 . . ?
C107 C125 H12E 109.5 . . ?
C107 C125 H12F 109.5 . . ?
H12D C125 H12E 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C115 C63 H63A 109.5 . . ?
C115 C63 H63B 109.5 . . ?
C115 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C109 C127 H12G 109.5 . . ?
C109 C127 H12H 109.5 . . ?
C109 C127 H12I 109.5 . . ?
H12G C127 H12H 109.5 . . ?
H12G C127 H12I 109.5 . . ?
H12H C127 H12I 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C67 C2 H2A 109.5 . . ?
C67 C2 H2B 109.5 . . ?
C67 C2 H2C 109.5 . . ?
C55 C129 H12J 109.5 . . ?
C55 C129 H12K 109.5 . . ?
C55 C129 H12L 109.5 . . ?
H12J C129 H12K 109.5 . . ?
H12J C129 H12L 109.5 . . ?
H12K C129 H12L 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C19 C65 H65A 109.5 . . ?
C19 C65 H65B 109.5 . . ?
C19 C65 H65C 109.5 . . ?
C33 C131 Rh7 72.4(3) . . ?
C33 C131 C81 119.8(8) . . ?
C135 C131 Rh7 69.5(3) . . ?
C135 C131 C33 108.0 . . ?
C135 C131 C81 132.1(8) . . ?
C81 C131 Rh7 120.8(8) . . ?
C131 C33 Rh7 69.0(3) . . ?
C131 C33 C133 108.0 . . ?
C131 C33 C143 128.1(8) . . ?
C133 C33 Rh7 71.1(3) . . ?
C133 C33 C143 123.8(8) . . ?
C143 C33 Rh7 122.8(8) . . ?
C33 C133 Rh7 70.7(3) . . ?
C33 C133 C67 108.0 . . ?
C33 C133 C71 126.0(7) . . ?
C67 C133 Rh7 69.1(3) . . ?
C67 C133 C71 126.0(7) . . ?
C71 C133 Rh7 128.2(8) . . ?
C2 C67 Rh7 127.5(7) . . ?
C133 C67 Rh7 72.3(3) . . ?
C133 C67 C2 127.4(7) . . ?
C135 C67 Rh7 69.2(3) . . ?
C135 C67 C2 124.5(7) . . ?
C135 C67 C133 108.0 . . ?
C131 C135 Rh7 71.2(3) . . ?
C131 C135 C67 108.0 . . ?
C131 C135 C5 132.3(8) . . ?
C67 C135 Rh7 71.6(3) . . ?
C67 C135 C5 119.5(8) . . ?
C5 C135 Rh7 126.2(9) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C153 C17 H17A 109.5 . . ?
C153 C17 H17B 109.5 . . ?
C153 C17 H17C 109.5 . . ?
C113 C137 H13A 109.5 . . ?
C113 C137 H13B 109.5 . . ?
C113 C137 H13C 109.5 . . ?
H13A C137 H13B 109.5 . . ?
H13A C137 H13C 109.5 . . ?
H13B C137 H13C 109.5 . . ?
C101 C69 H69A 109.5 . . ?
C101 C69 H69B 109.5 . . ?
C101 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C13 C139 H13D 109.5 . . ?
C13 C139 H13E 109.5 . . ?
C13 C139 H13F 109.5 . . ?
H13D C139 H13E 109.5 . . ?
H13D C139 H13F 109.5 . . ?
H13E C139 H13F 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C151 C35 H35A 109.5 . . ?
C151 C35 H35B 109.5 . . ?
C151 C35 H35C 109.5 . . ?
C120 C141 H14A 109.5 . . ?
C120 C141 H14B 109.5 . . ?
C120 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C133 C71 H71A 109.5 . . ?
C133 C71 H71B 109.5 . . ?
C133 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C33 C143 H14D 109.5 . . ?
C33 C143 H14E 109.5 . . ?
C33 C143 H14F 109.5 . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C53 C9 H9A 109.5 . . ?
C53 C9 H9B 109.5 . . ?
C53 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C73 C145 Rh2 68.9(3) . . ?
C73 C145 C149 108.0 . . ?
C73 C145 C165 124.2(8) . . ?
C149 C145 Rh2 69.0(3) . . ?
C149 C145 C165 126.6(8) . . ?
C165 C145 Rh2 117.7(8) . . ?
C145 C73 Rh2 73.6(3) . . ?
C145 C73 C41 126.3(8) . . ?
C147 C73 Rh2 66.7(3) . . ?
C147 C73 C145 108.0 . . ?
C147 C73 C41 125.3(8) . . ?
C41 C73 Rh2 119.4(8) . . ?
C73 C147 Rh2 74.4(4) . . ?
C73 C147 C83 127.1(8) . . ?
C37 C147 Rh2 70.1(3) . . ?
C37 C147 C73 108.0 . . ?
C37 C147 C83 124.9(8) . . ?
C83 C147 Rh2 120.0(8) . . ?
C147 C37 Rh2 69.9(3) . . ?
C147 C37 C79 129.8(8) . . ?
C149 C37 Rh2 74.5(4) . . ?
C149 C37 C147 108.0 . . ?
C149 C37 C79 122.2(8) . . ?
C79 C37 Rh2 119.8(8) . . ?
C145 C149 Rh2 73.5(3) . . ?
C145 C149 C155 133.1(8) . . ?
C37 C149 Rh2 66.7(3) . . ?
C37 C149 C145 108.0 . . ?
C37 C149 C155 118.9(8) . . ?
C155 C149 Rh2 125.0(7) . . ?
C151 C75 Rh5 73.6(3) . . ?
C151 C75 C85 126.5(8) . . ?
C77 C75 Rh5 66.6(4) . . ?
C77 C75 C151 108.0 . . ?
C77 C75 C85 125.1(8) . . ?
C85 C75 Rh5 119.7(8) . . ?
C35 C151 Rh5 121.6(8) . . ?
C75 C151 Rh5 68.1(3) . . ?
C75 C151 C35 123.2(8) . . ?
C19 C151 Rh5 69.3(3) . . ?
C19 C151 C35 128.2(8) . . ?
C19 C151 C75 108.0 . . ?
C65 C19 Rh5 123.8(7) . . ?
C151 C19 Rh5 72.6(4) . . ?
C151 C19 C65 126.8(7) . . ?
C153 C19 Rh5 66.5(3) . . ?
C153 C19 C65 125.2(7) . . ?
C153 C19 C151 108.0 . . ?
C17 C153 Rh5 124.9(8) . . ?
C19 C153 Rh5 74.2(4) . . ?
C19 C153 C17 124.7(7) . . ?
C19 C153 C77 108.0 . . ?
C77 C153 Rh5 68.9(4) . . ?
C77 C153 C17 127.2(7) . . ?
C75 C77 Rh5 73.5(4) . . ?
C75 C77 C153 108.0 . . ?
C75 C77 C171 122.5(8) . . ?
C153 C77 Rh5 70.4(4) . . ?
C153 C77 C171 129.0(8) . . ?
C171 C77 Rh5 128.1(8) . . ?
C149 C155 H15A 109.5 . . ?
C149 C155 H15B 109.5 . . ?
C149 C155 H15C 109.5 . . ?
H15A C155 H15B 109.5 . . ?
H15A C155 H15C 109.5 . . ?
H15B C155 H15C 109.5 . . ?
C57 C39 H39A 109.5 . . ?
C57 C39 H39B 109.5 . . ?
C57 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C25 C157 H15G 109.5 . . ?
C25 C157 H15H 109.5 . . ?
C25 C157 H15I 109.5 . . ?
H15G C157 H15H 109.5 . . ?
H15G C157 H15I 109.5 . . ?
H15H C157 H15I 109.5 . . ?
C37 C79 H79A 109.5 . . ?
C37 C79 H79B 109.5 . . ?
C37 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C118 C159 H15D 109.5 . . ?
C118 C159 H15E 109.5 . . ?
C118 C159 H15F 109.5 . . ?
H15D C159 H15E 109.5 . . ?
H15D C159 H15F 109.5 . . ?
H15E C159 H15F 109.5 . . ?
C135 C5 H5A 109.5 . . ?
C135 C5 H5B 109.5 . . ?
C135 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C51 C161 H16J 109.5 . . ?
C51 C161 H16K 109.5 . . ?
C51 C161 H16L 109.5 . . ?
H16J C161 H16K 109.5 . . ?
H16J C161 H16L 109.5 . . ?
H16K C161 H16L 109.5 . . ?
C131 C81 H81A 109.5 . . ?
C131 C81 H81B 109.5 . . ?
C131 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C116 C163 H16A 109.5 . . ?
C116 C163 H16B 109.5 . . ?
C116 C163 H16C 109.5 . . ?
H16A C163 H16B 109.5 . . ?
H16A C163 H16C 109.5 . . ?
H16B C163 H16C 109.5 . . ?
C73 C41 H41A 109.5 . . ?
C73 C41 H41B 109.5 . . ?
C73 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C145 C165 H16D 109.5 . . ?
C145 C165 H16E 109.5 . . ?
C145 C165 H16F 109.5 . . ?
H16D C165 H16E 109.5 . . ?
H16D C165 H16F 109.5 . . ?
H16E C165 H16F 109.5 . . ?
C147 C83 H83A 109.5 . . ?
C147 C83 H83B 109.5 . . ?
C147 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C122 C167 H16G 109.5 . . ?
C122 C167 H16H 109.5 . . ?
C122 C167 H16I 109.5 . . ?
H16G C167 H16H 109.5 . . ?
H16G C167 H16I 109.5 . . ?
H16H C167 H16I 109.5 . . ?
C124 C21 H21A 109.5 . . ?
C124 C21 H21B 109.5 . . ?
C124 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Rh3 O9 Rh3 94.0(6) . 3_855 ?
C43 O9 Rh3 122.1(10) . 3_855 ?
C43 O9 Rh3 131.2(11) . . ?
Rh3 O19 Rh3 95.0(6) . 3_855 ?
C173 O19 Rh3 123.5(9) . 3_855 ?
C173 O19 Rh3 137.3(11) . . ?
C103 C169 H16M 109.5 . . ?
C103 C169 H16N 109.5 . . ?
C103 C169 H16O 109.5 . . ?
H16M C169 H16N 109.5 . . ?
H16M C169 H16O 109.5 . . ?
H16N C169 H16O 109.5 . . ?
C75 C85 H85A 109.5 . . ?
C75 C85 H85B 109.5 . . ?
C75 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C77 C171 H17D 109.5 . . ?
C77 C171 H17E 109.5 . . ?
C77 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
O9 C43 H43A 109.5 . . ?
O9 C43 H43B 109.5 . . ?
O9 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O19 C173 H17G 109.5 . . ?
O19 C173 H17H 109.5 . . ?
O19 C173 H17I 109.5 . . ?
H17G C173 H17H 109.5 . . ?
H17G C173 H17I 109.5 . . ?
H17H C173 H17I 109.5 . . ?
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 O1 2.117(5) . ?
Rh1 O4 2.091(6) . ?
Rh1 N4 2.102(4) . ?
Rh1 C116 2.106(7) . ?
Rh1 C118 2.120(7) . ?
Rh1 C120 2.147(7) . ?
Rh1 C122 2.149(7) . ?
Rh1 C124 2.123(7) . ?
Rh4 O10 2.085(6) . ?
Rh4 O16 2.116(6) . ?
Rh4 N12 2.109(4) . ?
Rh4 C113 2.117(7) . ?
Rh4 C57 2.121(7) . ?
Rh4 C115 2.123(7) . ?
Rh4 C29 2.121(7) . ?
Rh4 C117 2.117(7) . ?
Rh6 O20 2.092(6) . ?
Rh6 O5 2.158(6) . ?
Rh6 N5 2.084(8) . ?
Rh6 C25 2.129(8) . ?
Rh6 C101 2.068(8) . ?
Rh6 C51 2.097(8) . ?
Rh6 C103 2.175(8) . ?
Rh6 C13 2.194(8) . ?
Rh7 O8 2.113(6) . ?
Rh7 O14 2.035(7) . ?
Rh7 N2 2.092(5) 3_855 ?
Rh7 C131 2.123(9) . ?
Rh7 C33 2.168(8) . ?
Rh7 C133 2.172(8) . ?
Rh7 C67 2.131(8) . ?
Rh7 C135 2.100(9) . ?
Rh2 O3 2.116(7) 3_855 ?
Rh2 N9 2.092(4) . ?
Rh2 O2 2.065(8) 3_855 ?
Rh2 C145 2.239(9) . ?
Rh2 C73 2.177(8) . ?
Rh2 C147 2.075(8) . ?
Rh2 C37 2.078(8) . ?
Rh2 C149 2.180(8) . ?
Rh5 O11 2.114(7) . ?
Rh5 O15 2.069(7) . ?
Rh5 N11 2.115(8) 3_855 ?
Rh5 C75 2.123(9) . ?
Rh5 C151 2.195(9) . ?
Rh5 C19 2.153(8) . ?
Rh5 C153 2.051(9) . ?
Rh5 C77 2.032(9) . ?
Rh3 Rh3 3.0277(17) 3_855 ?
Rh3 C53 2.169(9) . ?
Rh3 C107 2.023(8) . ?
Rh3 C27 2.022(9) . ?
Rh3 C109 2.169(8) . ?
Rh3 C55 2.255(9) . ?
Rh3 O9 2.045(11) . ?
Rh3 O9 2.096(13) 3_855 ?
Rh3 O19 2.023(11) . ?
Rh3 O19 2.085(12) 3_855 ?
O1 C52 1.280(9) . ?
O4 N1 1.377(7) . ?
O6 C14 1.220(10) . ?
O8 C58 1.224(10) . ?
O10 N6 1.373(8) . ?
O12 C62 1.199(9) . ?
O14 N8 1.405(9) . ?
N1 C12 1.388(10) . ?
N1 C52 1.336(9) . ?
O16 C66 1.253(10) . ?
O18 C12 1.236(10) . ?
O20 N10 1.364(8) . ?
O5 C110 1.262(10) . ?
N4 C1 1.3900 . ?
N4 C10 1.3900 . ?
C1 H1 0.9500 . ?
C1 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C6 1.3900 . ?
C6 C8 1.3900 . ?
C6 C121 1.451(11) . ?
C8 H8 0.9500 . ?
C8 C10 1.3900 . ?
C10 H10 0.9500 . ?
N6 C14 1.399(11) . ?
N6 C66 1.352(10) . ?
O11 C54 1.277(11) . ?
O3 C134 1.250(11) . ?
O13 C11 1.235(11) . ?
C12 C168 1.453(11) . ?
C14 C90 1.467(10) . ?
N8 C58 1.369(11) . ?
N8 C140 1.416(12) . ?
N10 C62 1.410(10) . ?
N10 C110 1.400(11) . ?
N12 C16 1.3900 . ?
N12 C24 1.3900 . ?
C16 H16 0.9500 . ?
C16 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C20 1.3900 . ?
C20 C22 1.3900 . ?
C20 C89 1.410(11) . ?
C22 H22 0.9500 . ?
C22 C24 1.3900 . ?
C24 H24 0.9500 . ?
N3 O2 1.392(9) . ?
N3 C128 1.382(13) . ?
N3 C134 1.353(12) . ?
C26 C28 1.422(11) . ?
C26 C30 1.360(11) . ?
C26 C62 1.453(12) . ?
C28 C60 1.422(12) . ?
C28 C64 1.436(11) . ?
C30 H30 0.9500 . ?
C30 C114 1.392(11) . ?
N7 C54 1.281(12) . ?
N7 O15 1.403(9) . ?
N7 C11 1.322(12) . ?
O7 C128 1.169(11) . ?
N2 C32 1.3900 . ?
N2 C40 1.3900 . ?
C32 H32 0.9500 . ?
C32 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C36 1.3900 . ?
C36 C38 1.3900 . ?
C36 C126 1.497(11) . ?
C38 H38 0.9500 . ?
C38 C40 1.3900 . ?
C40 H40 0.9500 . ?
N9 C42 1.3900 . ?
N9 C50 1.3900 . ?
C42 H42 0.9500 . ?
C42 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C46 1.3900 . ?
C46 C48 1.3900 . ?
C46 C91 1.412(11) . ?
C48 H48 0.9500 . ?
C48 C50 1.3900 . ?
C50 H50 0.9500 . ?
C52 C96 1.472(9) . ?
C54 C84 1.540(11) . ?
N5 C49 1.358(11) . ?
N5 C119 1.368(12) . ?
C56 C74 1.423(11) . ?
C56 C126 1.148(12) . ?
C58 C106 1.457(12) . ?
C60 C106 1.383(11) . ?
C60 C108 1.402(11) . ?
C64 C110 1.409(12) . ?
C64 C138 1.396(12) . ?
C66 C80 1.441(11) . ?
C68 C70 1.3900 . ?
C68 C78 1.3900 . ?
C68 C93 1.459(11) . ?
C70 H70 0.9500 . ?
C70 C72 1.3900 . ?
C72 H72 0.9500 . ?
C72 C74 1.3900 . ?
C74 C76 1.3900 . ?
C76 H76 0.9500 . ?
C76 C78 1.3900 . ?
C78 H78 0.9500 . ?
C80 C88 1.387(9) . ?
C80 C132 1.384(11) . ?
C82 H82 0.9500 . ?
C82 C84 1.3900 . ?
C82 C92 1.3900 . ?
C84 C86 1.3900 . ?
C86 C88 1.3900 . ?
C86 C112 1.460(10) . ?
C88 C90 1.3900 . ?
C90 C92 1.3900 . ?
C92 H92 0.9500 . ?
C94 H94 0.9500 . ?
C94 C96 1.3900 . ?
C94 C104 1.3900 . ?
C96 C98 1.3900 . ?
C98 C100 1.3900 . ?
C98 C168 1.397(10) . ?
C100 C102 1.3900 . ?
C100 C166 1.382(10) . ?
C102 C104 1.3900 . ?
C102 C128 1.563(11) . ?
C104 H104 0.9500 . ?
N11 C45 1.323(12) . ?
N11 C15 1.324(12) . ?
C106 C114 1.422(11) . ?
C108 C140 1.422(13) . ?
C108 C160 1.343(12) . ?
O17 C140 1.223(10) . ?
C112 C11 1.428(13) . ?
C112 C23 1.370(11) . ?
C114 H114 0.9500 . ?
C116 C118 1.4200 . ?
C116 C124 1.4200 . ?
C116 C163 1.519(9) . ?
C118 C120 1.4200 . ?
C118 C159 1.507(9) . ?
C120 C122 1.4200 . ?
C120 C141 1.514(9) . ?
C122 C124 1.4200 . ?
C122 C167 1.532(9) . ?
C124 C21 1.547(9) . ?
C130 C87 1.340(13) . ?
C130 C47 1.435(13) . ?
C130 C99 1.450(13) . ?
C132 H132 0.9500 . ?
C132 C23 1.391(11) . ?
C134 C166 1.478(12) . ?
C136 H136 0.9500 . ?
C136 C158 1.345(13) . ?
C136 C49 1.488(13) . ?
C138 H138 0.9500 . ?
C138 C160 1.360(12) . ?
C142 C156 1.460(13) . ?
C142 C3 1.353(13) . ?
C142 C7 1.364(13) . ?
C144 C146 1.3900 . ?
C144 C154 1.3900 . ?
C144 C172 1.371(11) . ?
C146 H146 0.9500 . ?
C146 C148 1.3900 . ?
C148 H148 0.9500 . ?
C148 C150 1.3900 . ?
C150 C152 1.3900 . ?
C150 C105 1.434(11) . ?
C152 H152 0.9500 . ?
C152 C154 1.3900 . ?
C154 H154 0.9500 . ?
C156 C95 1.140(12) . ?
C158 C174 1.408(13) . ?
C158 C59 1.341(13) . ?
C160 H160 0.9500 . ?
C162 H162 0.9500 . ?
C162 C164 1.412(10) . ?
C162 C168 1.409(9) . ?
C164 H164 0.9500 . ?
C164 C166 1.353(10) . ?
C170 C95 1.468(14) . ?
C170 C97 1.303(13) . ?
C170 C111 1.382(14) . ?
C172 C91 1.248(12) . ?
C174 C93 1.190(12) . ?
C87 H87 0.9500 . ?
C87 C3 1.370(13) . ?
C89 C47 1.197(12) . ?
C45 H45 0.9500 . ?
C45 C111 1.404(13) . ?
C23 H23 0.9500 . ?
C3 H3 0.9500 . ?
C97 H97 0.9500 . ?
C97 C15 1.411(13) . ?
C49 H49 0.9500 . ?
C99 H99 0.9500 . ?
C99 C7 1.412(13) . ?
C25 C101 1.4200 . ?
C25 C13 1.4200 . ?
C25 C157 1.505(9) . ?
C101 C51 1.4200 . ?
C101 C69 1.494(9) . ?
C51 C103 1.4200 . ?
C51 C161 1.537(9) . ?
C103 C13 1.4200 . ?
C103 C169 1.509(10) . ?
C13 C139 1.552(9) . ?
C105 C121 1.173(12) . ?
C53 C107 1.4200 . ?
C53 C55 1.4200 . ?
C53 C9 1.516(10) . ?
C107 C27 1.4200 . ?
C107 C125 1.513(10) . ?
C27 C109 1.4200 . ?
C27 C31 1.520(10) . ?
C109 C55 1.4200 . ?
C109 C127 1.485(10) . ?
C55 C129 1.529(10) . ?
C111 H111 0.9500 . ?
C7 H7 0.9500 . ?
C113 C57 1.4200 . ?
C113 C117 1.4200 . ?
C113 C137 1.541(9) . ?
C57 C115 1.4200 . ?
C57 C39 1.512(9) . ?
C115 C29 1.4200 . ?
C115 C63 1.509(9) . ?
C29 C117 1.4200 . ?
C29 C61 1.571(9) . ?
C117 C123 1.508(9) . ?
C59 H59 0.9500 . ?
C59 C119 1.370(13) . ?
C119 H119 0.9500 . ?
C15 H15 0.9500 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C123 H12A 0.9800 . ?
C123 H12B 0.9800 . ?
C123 H12C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C125 H12D 0.9800 . ?
C125 H12E 0.9800 . ?
C125 H12F 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C127 H12G 0.9800 . ?
C127 H12H 0.9800 . ?
C127 H12I 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C67 1.535(9) . ?
C129 H12J 0.9800 . ?
C129 H12K 0.9800 . ?
C129 H12L 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C65 C19 1.542(9) . ?
C131 C33 1.4200 . ?
C131 C135 1.4200 . ?
C131 C81 1.556(10) . ?
C33 C133 1.4200 . ?
C33 C143 1.532(10) . ?
C133 C67 1.4200 . ?
C133 C71 1.515(9) . ?
C67 C135 1.4200 . ?
C135 C5 1.512(10) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C153 1.528(10) . ?
C137 H13A 0.9800 . ?
C137 H13B 0.9800 . ?
C137 H13C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C139 H13D 0.9800 . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C35 C151 1.534(10) . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C145 C73 1.4200 . ?
C145 C149 1.4200 . ?
C145 C165 1.522(10) . ?
C73 C147 1.4200 . ?
C73 C41 1.543(10) . ?
C147 C37 1.4200 . ?
C147 C83 1.543(10) . ?
C37 C149 1.4200 . ?
C37 C79 1.523(10) . ?
C149 C155 1.531(9) . ?
C75 C151 1.4200 . ?
C75 C77 1.4200 . ?
C75 C85 1.557(10) . ?
C151 C19 1.4200 . ?
C19 C153 1.4200 . ?
C153 C77 1.4200 . ?
C77 C171 1.498(10) . ?
C155 H15A 0.9800 . ?
C155 H15B 0.9800 . ?
C155 H15C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C157 H15G 0.9800 . ?
C157 H15H 0.9800 . ?
C157 H15I 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C159 H15D 0.9800 . ?
C159 H15E 0.9800 . ?
C159 H15F 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C161 H16J 0.9800 . ?
C161 H16K 0.9800 . ?
C161 H16L 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C163 H16A 0.9800 . ?
C163 H16B 0.9800 . ?
C163 H16C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C165 H16D 0.9800 . ?
C165 H16E 0.9800 . ?
C165 H16F 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C167 H16G 0.9800 . ?
C167 H16H 0.9800 . ?
C167 H16I 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
O9 C43 1.512(14) . ?
O19 C173 1.512(13) . ?
C169 H16M 0.9800 . ?
C169 H16N 0.9800 . ?
C169 H16O 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C173 H17G 0.9800 . ?
C173 H17H 0.9800 . ?
C173 H17I 0.9800 . ?
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 O1 C52 N1 0.3(9) . . . . ?
Rh1 O1 C52 C96 -177.8(5) . . . . ?
Rh1 O4 N1 C12 172.6(6) . . . . ?
Rh1 O4 N1 C52 -4.4(8) . . . . ?
Rh1 N4 C1 C4 -179.5(4) . . . . ?
Rh1 N4 C10 C8 179.5(4) . . . . ?
Rh1 C116 C118 C120 -61.7(3) . . . . ?
Rh1 C116 C118 C159 125.1(9) . . . . ?
Rh1 C116 C124 C122 61.7(3) . . . . ?
Rh1 C116 C124 C21 -114.0(8) . . . . ?
Rh1 C118 C120 C122 -60.6(3) . . . . ?
Rh1 C118 C120 C141 121.0(8) . . . . ?
Rh1 C120 C122 C124 -59.8(3) . . . . ?
Rh1 C120 C122 C167 117.5(8) . . . . ?
Rh1 C122 C124 C116 -60.5(3) . . . . ?
Rh1 C122 C124 C21 115.0(9) . . . . ?
Rh4 O10 N6 C14 -176.5(5) . . . . ?
Rh4 O10 N6 C66 1.2(8) . . . . ?
Rh4 O16 C66 N6 -2.4(10) . . . . ?
Rh4 O16 C66 C80 175.9(6) . . . . ?
Rh4 N12 C16 C18 -176.9(4) . . . . ?
Rh4 N12 C24 C22 176.9(4) . . . . ?
Rh4 C113 C57 C115 60.7(3) . . . . ?
Rh4 C113 C57 C39 -113.6(9) . . . . ?
Rh4 C113 C117 C29 -60.9(3) . . . . ?
Rh4 C113 C117 C123 121.5(9) . . . . ?
Rh4 C57 C115 C29 60.6(3) . . . . ?
Rh4 C57 C115 C63 -117.2(9) . . . . ?
Rh4 C115 C29 C117 60.6(3) . . . . ?
Rh4 C115 C29 C61 -122.7(8) . . . . ?
Rh4 C29 C117 C113 60.8(3) . . . . ?
Rh4 C29 C117 C123 -121.7(9) . . . . ?
Rh6 O20 N10 C62 -170.7(6) . . . . ?
Rh6 O20 N10 C110 12.2(9) . . . . ?
Rh6 O5 C110 N10 -9.8(11) . . . . ?
Rh6 O5 C110 C64 166.9(7) . . . . ?
Rh6 N5 C49 C136 177.1(7) . . . . ?
Rh6 N5 C119 C59 -177.3(9) . . . . ?
Rh6 C25 C101 C51 -62.8(3) . . . . ?
Rh6 C25 C101 C69 123.2(9) . . . . ?
Rh6 C25 C13 C103 59.3(3) . . . . ?
Rh6 C25 C13 C139 -108.9(8) . . . . ?
Rh6 C101 C51 C103 -63.7(3) . . . . ?
Rh6 C101 C51 C161 117.6(9) . . . . ?
Rh6 C51 C103 C13 -60.7(3) . . . . ?
Rh6 C51 C103 C169 121.0(10) . . . . ?
Rh6 C103 C13 C25 -58.1(3) . . . . ?
Rh6 C103 C13 C139 108.9(9) . . . . ?
Rh7 O8 C58 N8 -5.1(11) . . . . ?
Rh7 O8 C58 C106 172.5(7) . . . . ?
Rh7 O14 N8 C58 4.0(9) . . . . ?
Rh7 O14 N8 C140 -173.5(7) . . . . ?
Rh7 N2 C32 C34 177.8(4) 3_855 . . . ?
Rh7 N2 C40 C38 -177.7(4) 3_855 . . . ?
Rh7 C131 C33 C133 -60.6(3) . . . . ?
Rh7 C131 C33 C143 115.9(10) . . . . ?
Rh7 C131 C135 C67 62.5(3) . . . . ?
Rh7 C131 C135 C5 -122.4(13) . . . . ?
Rh7 C33 C133 C67 -59.3(3) . . . . ?
Rh7 C33 C133 C71 123.8(10) . . . . ?
Rh7 C133 C67 C2 124.1(10) . . . . ?
Rh7 C133 C67 C135 -60.3(3) . . . . ?
Rh7 C67 C135 C131 -62.3(3) . . . . ?
Rh7 C67 C135 C5 121.8(10) . . . . ?
Rh2 O3 C134 N3 7.1(11) 3_855 . . . ?
Rh2 O3 C134 C166 -172.4(7) 3_855 . . . ?
Rh2 N9 C42 C44 173.5(4) . . . . ?
Rh2 N9 C50 C48 -173.5(4) . . . . ?
Rh2 C145 C73 C147 58.1(3) . . . . ?
Rh2 C145 C73 C41 -114.8(10) . . . . ?
Rh2 C145 C149 C37 -58.0(3) . . . . ?
Rh2 C145 C149 C155 122.8(10) . . . . ?
Rh2 C73 C147 C37 62.5(3) . . . . ?
Rh2 C73 C147 C83 -116.1(10) . . . . ?
Rh2 C147 C37 C149 65.3(4) . . . . ?
Rh2 C147 C37 C79 -112.5(10) . . . . ?
Rh2 C37 C149 C145 62.3(3) . . . . ?
Rh2 C37 C149 C155 -118.3(8) . . . . ?
Rh5 O11 C54 N7 -4.1(13) . . . . ?
Rh5 O11 C54 C84 178.5(5) . . . . ?
Rh5 N11 C45 C111 168.2(8) 3_855 . . . ?
Rh5 N11 C15 C97 -172.5(8) 3_855 . . . ?
Rh5 C75 C151 C35 114.3(10) . . . . ?
Rh5 C75 C151 C19 -57.9(3) . . . . ?
Rh5 C75 C77 C153 62.3(3) . . . . ?
Rh5 C75 C77 C171 -125.1(10) . . . . ?
Rh5 C151 C19 C65 119.6(10) . . . . ?
Rh5 C151 C19 C153 -57.2(3) . . . . ?
Rh5 C19 C153 C17 121.8(10) . . . . ?
Rh5 C19 C153 C77 -61.0(3) . . . . ?
Rh5 C153 C77 C75 -64.4(4) . . . . ?
Rh5 C153 C77 C171 123.7(11) . . . . ?
Rh3 C53 C107 C27 -62.4(3) . . . . ?
Rh3 C53 C107 C125 118.3(9) . . . . ?
Rh3 C53 C55 C109 56.3(3) . . . . ?
Rh3 C53 C55 C129 -127.5(11) . . . . ?
Rh3 C107 C27 C109 -66.7(4) . . . . ?
Rh3 C107 C27 C31 108.1(11) . . . . ?
Rh3 C27 C109 C55 -62.5(4) . . . . ?
Rh3 C27 C109 C127 122.5(11) . . . . ?
Rh3 C109 C55 C53 -56.3(3) . . . . ?
Rh3 C109 C55 C129 127.3(11) . . . . ?
O1 C52 C96 C94 -5.9(9) . . . . ?
O1 C52 C96 C98 171.9(5) . . . . ?
O4 N1 C12 O18 2.9(12) . . . . ?
O4 N1 C12 C168 -176.8(7) . . . . ?
O4 N1 C52 O1 2.9(11) . . . . ?
O4 N1 C52 C96 -179.1(6) . . . . ?
O6 C14 C90 C88 -179.4(7) . . . . ?
O6 C14 C90 C92 -0.9(11) . . . . ?
O8 C58 C106 C60 -176.6(9) . . . . ?
O8 C58 C106 C114 0.9(14) . . . . ?
O10 N6 C14 O6 -2.7(12) . . . . ?
O10 N6 C14 C90 177.5(6) . . . . ?
O10 N6 C66 O16 0.8(11) . . . . ?
O10 N6 C66 C80 -177.6(6) . . . . ?
O14 N8 C58 O8 0.8(13) . . . . ?
O14 N8 C58 C106 -176.9(7) . . . . ?
O14 N8 C140 C108 176.0(8) . . . . ?
O14 N8 C140 O17 -2.8(14) . . . . ?
N1 C12 C168 C98 -2.3(12) . . . . ?
N1 C12 C168 C162 175.6(8) . . . . ?
N1 C52 C96 C94 176.0(5) . . . . ?
N1 C52 C96 C98 -6.1(9) . . . . ?
O16 C66 C80 C88 -178.3(7) . . . . ?
O16 C66 C80 C132 7.0(13) . . . . ?
O18 C12 C168 C98 178.0(8) . . . . ?
O18 C12 C168 C162 -4.1(15) . . . . ?
O20 N10 C62 O12 -1.0(12) . . . . ?
O20 N10 C62 C26 177.0(7) . . . . ?
O20 N10 C110 O5 -1.5(13) . . . . ?
O20 N10 C110 C64 -178.4(8) . . . . ?
N4 C1 C4 C6 0.0 . . . . ?
C1 N4 C10 C8 0.0 . . . . ?
C1 C4 C6 C8 0.0 . . . . ?
C1 C4 C6 C121 -178.9(8) . . . . ?
C4 C6 C8 C10 0.0 . . . . ?
C4 C6 C121 C105 103(7) . . . . ?
C6 C8 C10 N4 0.0 . . . . ?
C8 C6 C121 C105 -76(7) . . . . ?
C10 N4 C1 C4 0.0 . . . . ?
N6 C14 C90 C88 0.4(9) . . . . ?
N6 C14 C90 C92 179.0(5) . . . . ?
N6 C66 C80 C88 0.0(11) . . . . ?
N6 C66 C80 C132 -174.6(7) . . . . ?
O11 C54 C84 C82 2.5(10) . . . . ?
O11 C54 C84 C86 -177.2(6) . . . . ?
O3 C134 C166 C100 180.0(8) . . . . ?
O3 C134 C166 C164 -1.5(14) . . . . ?
C12 N1 C52 O1 -173.9(7) . . . . ?
C12 N1 C52 C96 4.1(12) . . . . ?
C14 N6 C66 O16 178.3(7) . . . . ?
C14 N6 C66 C80 -0.2(12) . . . . ?
C14 C90 C92 C82 -178.6(6) . . . . ?
N8 C58 C106 C60 1.1(13) . . . . ?
N8 C58 C106 C114 178.6(8) . . . . ?
N12 C16 C18 C20 0.0 . . . . ?
C16 N12 C24 C22 0.0 . . . . ?
C16 C18 C20 C22 0.0 . . . . ?
C16 C18 C20 C89 177.2(7) . . . . ?
C18 C20 C22 C24 0.0 . . . . ?
C20 C22 C24 N12 0.0 . . . . ?
C24 N12 C16 C18 0.0 . . . . ?
N3 C134 C166 C100 0.4(12) . . . . ?
N3 C134 C166 C164 179.0(9) . . . . ?
C26 C28 C60 C106 -0.5(13) . . . . ?
C26 C28 C60 C108 179.0(8) . . . . ?
C26 C28 C64 C110 2.8(14) . . . . ?
C26 C28 C64 C138 -179.2(8) . . . . ?
C26 C30 C114 C106 1.1(14) . . . . ?
C28 C26 C30 C114 -1.3(13) . . . . ?
C28 C26 C62 O12 -176.5(9) . . . . ?
C28 C26 C62 N10 5.6(12) . . . . ?
C28 C60 C106 C58 177.8(8) . . . . ?
C28 C60 C106 C114 0.3(13) . . . . ?
C28 C60 C108 C140 -178.6(9) . . . . ?
C28 C60 C108 C160 -2.4(14) . . . . ?
C28 C64 C110 O5 -179.6(9) . . . . ?
C28 C64 C110 N10 -2.8(14) . . . . ?
C28 C64 C138 C160 3.2(15) . . . . ?
C30 C26 C28 C60 1.0(13) . . . . ?
C30 C26 C28 C64 177.3(8) . . . . ?
C30 C26 C62 O12 2.0(15) . . . . ?
C30 C26 C62 N10 -176.0(8) . . . . ?
N7 C54 C84 C82 -175.1(7) . . . . ?
N7 C54 C84 C86 5.2(11) . . . . ?
N2 C32 C34 C36 0.0 . . . . ?
C32 N2 C40 C38 0.0 . . . . ?
C32 C34 C36 C38 0.0 . . . . ?
C32 C34 C36 C126 176.9(7) . . . . ?
C34 C36 C38 C40 0.0 . . . . ?
C36 C38 C40 N2 0.0 . . . . ?
C40 N2 C32 C34 0.0 . . . . ?
N9 C42 C44 C46 0.0 . . . . ?
C42 N9 C50 C48 0.0 . . . . ?
C42 C44 C46 C48 0.0 . . . . ?
C42 C44 C46 C91 -177.6(7) . . . . ?
C44 C46 C48 C50 0.0 . . . . ?
C46 C48 C50 N9 0.0 . . . . ?
C50 N9 C42 C44 0.0 . . . . ?
C52 N1 C12 O18 179.7(8) . . . . ?
C52 N1 C12 C168 0.0(12) . . . . ?
C52 C96 C98 C100 -177.9(5) . . . . ?
C52 C96 C98 C168 4.0(7) . . . . ?
C54 N7 O15 Rh5 -1.3(10) . . . . ?
C54 N7 C11 O13 -178.9(10) . . . . ?
C54 N7 C11 C112 5.8(16) . . . . ?
C54 C84 C86 C88 179.7(6) . . . . ?
C54 C84 C86 C112 -4.0(7) . . . . ?
O15 N7 C54 O11 3.8(15) . . . . ?
O15 N7 C54 C84 -178.8(6) . . . . ?
O15 N7 C11 O13 -6.5(15) . . . . ?
O15 N7 C11 C112 178.2(8) . . . . ?
C56 C74 C76 C78 176.6(6) . . . . ?
C58 N8 C140 C108 -1.3(14) . . . . ?
C58 N8 C140 O17 179.8(9) . . . . ?
C58 C106 C114 C30 -178.1(8) . . . . ?
C60 C28 C64 C110 179.1(9) . . . . ?
C60 C28 C64 C138 -2.9(13) . . . . ?
C60 C106 C114 C30 -0.6(13) . . . . ?
C60 C108 C140 N8 0.6(14) . . . . ?
C60 C108 C140 O17 179.4(10) . . . . ?
C60 C108 C160 C138 2.6(15) . . . . ?
C62 N10 C110 O5 -178.4(8) . . . . ?
C62 N10 C110 C64 4.7(14) . . . . ?
C62 C26 C28 C60 179.5(8) . . . . ?
C62 C26 C28 C64 -4.2(13) . . . . ?
C62 C26 C30 C114 -179.8(8) . . . . ?
O2 N3 C128 O7 10.3(15) . . . . ?
O2 N3 C128 C102 -176.2(6) . . . . ?
O2 N3 C134 O3 -4.1(13) . . . . ?
O2 N3 C134 C166 175.4(7) . . . . ?
C64 C28 C60 C106 -176.9(8) . . . . ?
C64 C28 C60 C108 2.6(13) . . . . ?
C64 C138 C160 C108 -3.1(16) . . . . ?
C66 N6 C14 O6 179.8(8) . . . . ?
C66 N6 C14 C90 0.0(12) . . . . ?
C66 C80 C88 C86 -178.8(6) . . . . ?
C66 C80 C88 C90 0.3(9) . . . . ?
C66 C80 C132 C23 178.0(8) . . . . ?
C68 C70 C72 C74 0.0 . . . . ?
C70 C68 C78 C76 0.0 . . . . ?
C70 C72 C74 C56 -176.6(6) . . . . ?
C70 C72 C74 C76 0.0 . . . . ?
C72 C74 C76 C78 0.0 . . . . ?
C74 C76 C78 C68 0.0 . . . . ?
C78 C68 C70 C72 0.0 . . . . ?
C80 C88 C90 C14 -0.5(7) . . . . ?
C80 C88 C90 C92 -179.1(6) . . . . ?
C80 C132 C23 C112 -0.8(13) . . . . ?
C82 C84 C86 C88 0.0 . . . . ?
C82 C84 C86 C112 176.3(6) . . . . ?
C84 C82 C92 C90 0.0 . . . . ?
C84 C86 C88 C80 179.1(6) . . . . ?
C84 C86 C88 C90 0.0 . . . . ?
C84 C86 C112 C11 3.4(9) . . . . ?
C84 C86 C112 C23 -176.8(6) . . . . ?
C86 C88 C90 C14 178.6(6) . . . . ?
C86 C88 C90 C92 0.0 . . . . ?
C86 C112 C11 O13 -179.4(8) . . . . ?
C86 C112 C11 N7 -3.9(13) . . . . ?
C86 C112 C23 C132 -0.5(12) . . . . ?
C88 C80 C132 C23 3.1(12) . . . . ?
C88 C86 C112 C11 179.8(6) . . . . ?
C88 C86 C112 C23 -0.4(9) . . . . ?
C88 C90 C92 C82 0.0 . . . . ?
C92 C82 C84 C54 -179.6(6) . . . . ?
C92 C82 C84 C86 0.0 . . . . ?
C94 C96 C98 C100 0.0 . . . . ?
C94 C96 C98 C168 -178.1(6) . . . . ?
C96 C94 C104 C102 0.0 . . . . ?
C96 C98 C100 C102 0.0 . . . . ?
C96 C98 C100 C166 176.0(6) . . . . ?
C96 C98 C168 C12 0.2(10) . . . . ?
C96 C98 C168 C162 -177.7(6) . . . . ?
C98 C100 C102 C104 0.0 . . . . ?
C98 C100 C102 C128 175.9(6) . . . . ?
C98 C100 C166 C134 -176.7(6) . . . . ?
C98 C100 C166 C164 4.8(11) . . . . ?
C100 C98 C168 C12 -178.0(6) . . . . ?
C100 C98 C168 C162 4.2(10) . . . . ?
C100 C102 C104 C94 0.0 . . . . ?
C100 C102 C128 N3 1.1(9) . . . . ?
C100 C102 C128 O7 175.0(8) . . . . ?
C102 C100 C166 C134 -0.8(10) . . . . ?
C102 C100 C166 C164 -179.3(7) . . . . ?
C104 C94 C96 C52 177.9(6) . . . . ?
C104 C94 C96 C98 0.0 . . . . ?
C104 C102 C128 N3 177.0(5) . . . . ?
C104 C102 C128 O7 -9.0(12) . . . . ?
N11 C45 C111 C170 3.8(17) . . . . ?
C106 C60 C108 C140 0.9(14) . . . . ?
C106 C60 C108 C160 177.1(9) . . . . ?
C108 C60 C106 C58 -1.7(14) . . . . ?
C108 C60 C106 C114 -179.2(8) . . . . ?
C110 N10 C62 O12 175.9(8) . . . . ?
C110 N10 C62 C26 -6.0(13) . . . . ?
C110 C64 C138 C160 -178.9(10) . . . . ?
C112 C86 C88 C80 2.8(7) . . . . ?
C112 C86 C88 C90 -176.3(6) . . . . ?
C116 C118 C120 Rh1 60.6(3) . . . . ?
C116 C118 C120 C122 0.0 . . . . ?
C116 C118 C120 C141 -178.4(9) . . . . ?
C118 C116 C124 Rh1 -61.7(3) . . . . ?
C118 C116 C124 C122 0.0 . . . . ?
C118 C116 C124 C21 -175.6(9) . . . . ?
C118 C120 C122 Rh1 59.8(3) . . . . ?
C118 C120 C122 C124 0.0 . . . . ?
C118 C120 C122 C167 177.4(9) . . . . ?
C120 C122 C124 Rh1 60.5(3) . . . . ?
C120 C122 C124 C116 0.0 . . . . ?
C120 C122 C124 C21 175.5(9) . . . . ?
C124 C116 C118 Rh1 61.7(3) . . . . ?
C124 C116 C118 C120 0.0 . . . . ?
C124 C116 C118 C159 -173.2(10) . . . . ?
C126 C36 C38 C40 -177.0(6) . . . . ?
C128 N3 O2 Rh2 174.4(6) . . . 3_855 ?
C128 N3 C134 O3 -178.6(9) . . . . ?
C128 N3 C134 C166 0.9(15) . . . . ?
C128 C102 C104 C94 -176.1(6) . . . . ?
C130 C87 C3 C142 8.4(18) . . . . ?
C130 C99 C7 C142 3.4(17) . . . . ?
C132 C80 C88 C86 -4.0(9) . . . . ?
C132 C80 C88 C90 175.1(6) . . . . ?
C134 N3 O2 Rh2 -1.2(9) . . . 3_855 ?
C134 N3 C128 O7 -175.1(11) . . . . ?
C134 N3 C128 C102 -1.6(14) . . . . ?
C136 C158 C59 C119 1.8(17) . . . . ?
C138 C64 C110 O5 2.6(16) . . . . ?
C138 C64 C110 N10 179.3(9) . . . . ?
C140 N8 C58 O8 178.2(9) . . . . ?
C140 N8 C58 C106 0.5(13) . . . . ?
C140 C108 C160 C138 178.8(9) . . . . ?
C144 C146 C148 C150 0.0 . . . . ?
C146 C144 C154 C152 0.0 . . . . ?
C146 C148 C150 C152 0.0 . . . . ?
C146 C148 C150 C105 174.9(9) . . . . ?
C148 C150 C152 C154 0.0 . . . . ?
C150 C152 C154 C144 0.0 . . . . ?
C154 C144 C146 C148 0.0 . . . . ?
C156 C142 C3 C87 178.6(10) . . . . ?
C156 C142 C7 C99 175.6(10) . . . . ?
C158 C136 C49 N5 0.0(15) . . . . ?
C158 C59 C119 N5 0.6(18) . . . . ?
C160 C108 C140 N8 -175.5(9) . . . . ?
C160 C108 C140 O17 3.2(17) . . . . ?
C162 C164 C166 C100 -1.9(15) . . . . ?
C162 C164 C166 C134 179.6(8) . . . . ?
C164 C162 C168 C12 -179.2(8) . . . . ?
C164 C162 C168 C98 -1.2(13) . . . . ?
C166 C100 C102 C104 -175.9(6) . . . . ?
C166 C100 C102 C128 0.0(7) . . . . ?
C168 C98 C100 C102 178.1(6) . . . . ?
C168 C98 C100 C166 -5.9(7) . . . . ?
C168 C162 C164 C166 0.1(15) . . . . ?
C170 C97 C15 N11 4.4(19) . . . . ?
C172 C144 C146 C148 179.9(8) . . . . ?
C172 C144 C154 C152 -179.9(8) . . . . ?
C174 C158 C59 C119 -177.8(10) . . . . ?
C87 C130 C99 C7 3.3(16) . . . . ?
C11 N7 C54 O11 176.4(9) . . . . ?
C11 N7 C54 C84 -6.2(15) . . . . ?
C11 N7 O15 Rh5 -174.5(7) . . . . ?
C11 C112 C23 C132 179.2(8) . . . . ?
C89 C20 C22 C24 -177.2(7) . . . . ?
C45 N11 C15 C97 -4.6(17) . . . . ?
C91 C46 C48 C50 177.6(7) . . . . ?
C23 C112 C11 O13 0.8(15) . . . . ?
C23 C112 C11 N7 176.3(9) . . . . ?
C93 C68 C70 C72 178.6(6) . . . . ?
C93 C68 C78 C76 -178.6(6) . . . . ?
C47 C130 C87 C3 172.2(10) . . . . ?
C47 C130 C99 C7 -178.0(10) . . . . ?
C95 C170 C97 C15 178.9(11) . . . . ?
C95 C170 C111 C45 177.0(10) . . . . ?
C3 C142 C7 C99 -4.4(18) . . . . ?
C97 C170 C111 C45 -3.9(17) . . . . ?
C49 N5 C119 C59 -2.7(17) . . . . ?
C49 C136 C158 C174 177.5(9) . . . . ?
C49 C136 C158 C59 -2.1(16) . . . . ?
C99 C130 C87 C3 -9.3(17) . . . . ?
C25 C101 C51 Rh6 63.7(3) . . . . ?
C25 C101 C51 C103 0.0 . . . . ?
C25 C101 C51 C161 -178.7(10) . . . . ?
C101 C25 C13 Rh6 -59.3(3) . . . . ?
C101 C25 C13 C103 0.0 . . . . ?
C101 C25 C13 C139 -168.2(9) . . . . ?
C101 C51 C103 Rh6 60.7(3) . . . . ?
C101 C51 C103 C13 0.0 . . . . ?
C101 C51 C103 C169 -178.3(11) . . . . ?
C51 C103 C13 Rh6 58.1(3) . . . . ?
C51 C103 C13 C25 0.0 . . . . ?
C51 C103 C13 C139 167.1(10) . . . . ?
C13 C25 C101 Rh6 62.8(3) . . . . ?
C13 C25 C101 C51 0.0 . . . . ?
C13 C25 C101 C69 -174.1(10) . . . . ?
C105 C150 C152 C154 -175.1(8) . . . . ?
C53 C107 C27 Rh3 66.7(4) . . . . ?
C53 C107 C27 C109 0.0 . . . . ?
C53 C107 C27 C31 174.7(12) . . . . ?
C107 C53 C55 Rh3 -56.3(3) . . . . ?
C107 C53 C55 C109 0.0 . . . . ?
C107 C53 C55 C129 176.3(12) . . . . ?
C107 C27 C109 Rh3 62.5(4) . . . . ?
C107 C27 C109 C55 0.0 . . . . ?
C107 C27 C109 C127 -175.1(11) . . . . ?
C27 C109 C55 Rh3 56.3(3) . . . . ?
C27 C109 C55 C53 0.0 . . . . ?
C27 C109 C55 C129 -176.4(12) . . . . ?
C55 C53 C107 Rh3 62.4(3) . . . . ?
C55 C53 C107 C27 0.0 . . . . ?
C55 C53 C107 C125 -179.2(9) . . . . ?
C111 C170 C97 C15 0.0(19) . . . . ?
C7 C142 C3 C87 -1.4(18) . . . . ?
C113 C57 C115 Rh4 -60.6(3) . . . . ?
C113 C57 C115 C29 0.0 . . . . ?
C113 C57 C115 C63 -177.8(10) . . . . ?
C57 C113 C117 Rh4 60.9(3) . . . . ?
C57 C113 C117 C29 0.0 . . . . ?
C57 C113 C117 C123 -177.6(10) . . . . ?
C57 C115 C29 Rh4 -60.6(3) . . . . ?
C57 C115 C29 C117 0.0 . . . . ?
C57 C115 C29 C61 176.7(9) . . . . ?
C115 C29 C117 Rh4 -60.8(3) . . . . ?
C115 C29 C117 C113 0.0 . . . . ?
C115 C29 C117 C123 177.6(10) . . . . ?
C117 C113 C57 Rh4 -60.7(3) . . . . ?
C117 C113 C57 C115 0.0 . . . . ?
C117 C113 C57 C39 -174.4(10) . . . . ?
C119 N5 C49 C136 2.3(14) . . . . ?
C15 N11 C45 C111 0.7(17) . . . . ?
C121 C6 C8 C10 178.9(7) . . . . ?
C61 C29 C117 Rh4 122.8(9) . . . . ?
C61 C29 C117 C113 -176.4(10) . . . . ?
C61 C29 C117 C123 1.2(12) . . . . ?
C31 C27 C109 Rh3 -113.2(9) . . . . ?
C31 C27 C109 C55 -175.7(10) . . . . ?
C31 C27 C109 C127 9.3(13) . . . . ?
C125 C107 C27 Rh3 -114.3(11) . . . . ?
C125 C107 C27 C109 179.0(12) . . . . ?
C125 C107 C27 C31 -6.2(15) . . . . ?
C63 C115 C29 Rh4 117.3(8) . . . . ?
C63 C115 C29 C117 177.9(9) . . . . ?
C63 C115 C29 C61 -5.4(11) . . . . ?
C127 C109 C55 Rh3 -128.0(9) . . . . ?
C127 C109 C55 C53 175.7(10) . . . . ?
C127 C109 C55 C129 -0.7(13) . . . . ?
C2 C67 C135 Rh7 -122.0(9) . . . . ?
C2 C67 C135 C131 175.7(10) . . . . ?
C2 C67 C135 C5 -0.1(13) . . . . ?
C65 C19 C153 Rh5 -115.9(9) . . . . ?
C65 C19 C153 C17 6.0(13) . . . . ?
C65 C19 C153 C77 -176.8(11) . . . . ?
C131 C33 C133 Rh7 59.3(3) . . . . ?
C131 C33 C133 C67 0.0 . . . . ?
C131 C33 C133 C71 -176.9(11) . . . . ?
C33 C131 C135 Rh7 -62.5(3) . . . . ?
C33 C131 C135 C67 0.0 . . . . ?
C33 C131 C135 C5 175.1(14) . . . . ?
C33 C133 C67 Rh7 60.3(3) . . . . ?
C33 C133 C67 C2 -175.6(11) . . . . ?
C33 C133 C67 C135 0.0 . . . . ?
C133 C67 C135 Rh7 62.3(3) . . . . ?
C133 C67 C135 C131 0.0 . . . . ?
C133 C67 C135 C5 -175.8(11) . . . . ?
C135 C131 C33 Rh7 60.6(3) . . . . ?
C135 C131 C33 C133 0.0 . . . . ?
C135 C131 C33 C143 176.6(12) . . . . ?
C17 C153 C77 Rh5 -118.5(10) . . . . ?
C17 C153 C77 C75 177.1(11) . . . . ?
C17 C153 C77 C171 5.1(15) . . . . ?
C137 C113 C57 Rh4 118.8(9) . . . . ?
C137 C113 C57 C115 179.5(10) . . . . ?
C137 C113 C57 C39 5.1(12) . . . . ?
C137 C113 C117 Rh4 -118.6(9) . . . . ?
C137 C113 C117 C29 -179.5(10) . . . . ?
C137 C113 C117 C123 2.9(12) . . . . ?
C69 C101 C51 Rh6 -122.4(10) . . . . ?
C69 C101 C51 C103 173.9(11) . . . . ?
C69 C101 C51 C161 -4.8(13) . . . . ?
C35 C151 C19 Rh5 -114.6(11) . . . . ?
C35 C151 C19 C65 5.0(14) . . . . ?
C35 C151 C19 C153 -171.8(12) . . . . ?
C141 C120 C122 Rh1 -121.8(8) . . . . ?
C141 C120 C122 C124 178.3(9) . . . . ?
C141 C120 C122 C167 -4.3(11) . . . . ?
C71 C133 C67 Rh7 -122.8(10) . . . . ?
C71 C133 C67 C2 1.3(14) . . . . ?
C71 C133 C67 C135 176.9(11) . . . . ?
C143 C33 C133 Rh7 -117.4(10) . . . . ?
C143 C33 C133 C67 -176.7(11) . . . . ?
C143 C33 C133 C71 6.4(14) . . . . ?
C9 C53 C107 Rh3 -123.5(11) . . . . ?
C9 C53 C107 C27 174.1(12) . . . . ?
C9 C53 C107 C125 -5.1(14) . . . . ?
C9 C53 C55 Rh3 128.8(9) . . . . ?
C9 C53 C55 C109 -174.9(10) . . . . ?
C9 C53 C55 C129 1.3(14) . . . . ?
C145 C73 C147 Rh2 -62.5(3) . . . . ?
C145 C73 C147 C37 0.0 . . . . ?
C145 C73 C147 C83 -178.6(11) . . . . ?
C73 C145 C149 Rh2 58.0(3) . . . . ?
C73 C145 C149 C37 0.0 . . . . ?
C73 C145 C149 C155 -179.3(11) . . . . ?
C73 C147 C37 Rh2 -65.3(4) . . . . ?
C73 C147 C37 C149 0.0 . . . . ?
C73 C147 C37 C79 -177.8(11) . . . . ?
C147 C37 C149 Rh2 -62.3(3) . . . . ?
C147 C37 C149 C145 0.0 . . . . ?
C147 C37 C149 C155 179.4(9) . . . . ?
C149 C145 C73 Rh2 -58.1(3) . . . . ?
C149 C145 C73 C147 0.0 . . . . ?
C149 C145 C73 C41 -172.8(11) . . . . ?
C75 C151 C19 Rh5 57.2(3) . . . . ?
C75 C151 C19 C65 176.8(11) . . . . ?
C75 C151 C19 C153 0.0 . . . . ?
C151 C75 C77 Rh5 -62.3(3) . . . . ?
C151 C75 C77 C153 0.0 . . . . ?
C151 C75 C77 C171 172.6(11) . . . . ?
C151 C19 C153 Rh5 61.0(3) . . . . ?
C151 C19 C153 C17 -177.2(11) . . . . ?
C151 C19 C153 C77 0.0 . . . . ?
C19 C153 C77 Rh5 64.4(4) . . . . ?
C19 C153 C77 C75 0.0 . . . . ?
C19 C153 C77 C171 -172.0(12) . . . . ?
C77 C75 C151 Rh5 57.9(3) . . . . ?
C77 C75 C151 C35 172.3(11) . . . . ?
C77 C75 C151 C19 0.0 . . . . ?
C39 C57 C115 Rh4 114.0(9) . . . . ?
C39 C57 C115 C29 174.6(10) . . . . ?
C39 C57 C115 C63 -3.2(12) . . . . ?
C157 C25 C101 Rh6 -124.4(9) . . . . ?
C157 C25 C101 C51 172.8(10) . . . . ?
C157 C25 C101 C69 -1.3(13) . . . . ?
C157 C25 C13 Rh6 127.7(9) . . . . ?
C157 C25 C13 C103 -172.9(10) . . . . ?
C157 C25 C13 C139 18.9(12) . . . . ?
C79 C37 C149 Rh2 115.7(9) . . . . ?
C79 C37 C149 C145 178.0(10) . . . . ?
C79 C37 C149 C155 -2.6(12) . . . . ?
C159 C118 C120 Rh1 -125.9(9) . . . . ?
C159 C118 C120 C122 173.5(10) . . . . ?
C159 C118 C120 C141 -4.9(12) . . . . ?
C161 C51 C103 Rh6 -120.6(10) . . . . ?
C161 C51 C103 C13 178.7(11) . . . . ?
C161 C51 C103 C169 0.4(14) . . . . ?
C81 C131 C33 Rh7 -116.0(10) . . . . ?
C81 C131 C33 C133 -176.6(11) . . . . ?
C81 C131 C33 C143 -0.1(14) . . . . ?
C81 C131 C135 Rh7 113.5(11) . . . . ?
C81 C131 C135 C67 176.0(12) . . . . ?
C81 C131 C135 C5 -8.9(17) . . . . ?
C163 C116 C118 Rh1 -120.8(9) . . . . ?
C163 C116 C118 C120 177.5(10) . . . . ?
C163 C116 C118 C159 4.4(13) . . . . ?
C163 C116 C124 Rh1 120.8(9) . . . . ?
C163 C116 C124 C122 -177.5(10) . . . . ?
C163 C116 C124 C21 6.8(12) . . . . ?
C41 C73 C147 Rh2 110.5(10) . . . . ?
C41 C73 C147 C37 172.9(10) . . . . ?
C41 C73 C147 C83 -5.7(14) . . . . ?
C165 C145 C73 Rh2 109.8(10) . . . . ?
C165 C145 C73 C147 167.9(11) . . . . ?
C165 C145 C73 C41 -5.0(13) . . . . ?
C165 C145 C149 Rh2 -109.6(10) . . . . ?
C165 C145 C149 C37 -167.5(11) . . . . ?
C165 C145 C149 C155 13.2(14) . . . . ?
C83 C147 C37 Rh2 113.4(10) . . . . ?
C83 C147 C37 C149 178.6(11) . . . . ?
C83 C147 C37 C79 0.8(13) . . . . ?
C167 C122 C124 Rh1 -116.3(10) . . . . ?
C167 C122 C124 C116 -176.7(11) . . . . ?
C167 C122 C124 C21 -1.2(13) . . . . ?
C169 C103 C13 Rh6 -123.7(11) . . . . ?
C169 C103 C13 C25 178.2(12) . . . . ?
C169 C103 C13 C139 -14.8(14) . . . . ?
C85 C75 C151 Rh5 -115.1(11) . . . . ?
C85 C75 C151 C35 -0.8(14) . . . . ?
C85 C75 C151 C19 -173.0(12) . . . . ?
C85 C75 C77 Rh5 110.8(10) . . . . ?
C85 C75 C77 C153 173.1(12) . . . . ?
C85 C75 C77 C171 -14.3(14) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.556 -0.508 -0.241 14289.6 2547.7 '36 CF3SO3'
