# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_p21c
_database_code_depnum_ccdc_archive 'CCDC 2184765'
loop_
_audit_author_name
_audit_author_address
'lilong Dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_audit_creation_date             2021-11-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'4(C84 H88 N8 O8 Rh4), 2.024(C84 H86 N8 O8 Rh4), 12(C F3 O3 S), 1.8[CH3OH], 20[CF3SO3], 1.4[CH3OH], 1.8[CH3OH]'
_chemical_formula_sum            'C543 H546 F96 N48 O149 Rh24 S32'
_chemical_formula_weight         15448.00
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   39.606(3)
_cell_length_b                   22.0684(15)
_cell_length_c                   40.033(3)
_cell_angle_alpha                90
_cell_angle_beta                 112.497(3)
_cell_angle_gamma                90
_cell_volume                     32328(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9780
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      46.70
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   0.551
_shelx_estimated_absorpt_T_min   0.466
_exptl_absorpt_coefficient_mu    4.505
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1082 before and 0.0586 after correction.
The Ratio of minimum to maximum transmission is 0.6525.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_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    1.587
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             15576
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1082
_diffrn_reflns_av_unetI/netI     0.0877
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            250412
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.168
_diffrn_reflns_theta_min         1.937
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_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_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19931339999999997
_diffrn_source_voltage           69.69
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                26758
_reflns_number_total             59375
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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)'
_refine_diff_density_max         1.882
_refine_diff_density_min         -1.486
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3243
_refine_ls_number_reflns         59375
_refine_ls_number_restraints     5731
_refine_ls_R_factor_all          0.1659
_refine_ls_R_factor_gt           0.0957
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1932P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2804
_refine_ls_wR_factor_ref         0.3364
_refine_special_details          ?
_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
 C61-C95 = C197-C245 = C249-C123 = C121-C51 = C191-C243
 1.53 with sigma of 0.02
 C51-C243
 2.65 with sigma of 0.02
 C249-C121
 2.65 with sigma of 0.02
 C249-C245
 2.65 with sigma of 0.02
 C95-C243
 2.65 with sigma of 0.02
 C191-C61
 2.65 with sigma of 0.02
 C95-C245
 2.65 with sigma of 0.02
 C51-C123
 2.65 with sigma of 0.02
 C197-C61
 2.65 with sigma of 0.02
 C191-C121
 2.65 with sigma of 0.02
 C197-C123
 2.65 with sigma of 0.02
 C73-C105 = C247-C103 = C125-C207 = C101-C13 = C209-C182
 1.53 with sigma of 0.02
 C101-C209
 2.65 with sigma of 0.02
 C125-C13
 2.65 with sigma of 0.02
 C73-C209
 2.65 with sigma of 0.02
 C182-C105
 2.65 with sigma of 0.02
 C73-C103
 2.65 with sigma of 0.02
 C101-C207
 2.65 with sigma of 0.02
 C247-C105
 2.65 with sigma of 0.02
 C182-C13
 2.65 with sigma of 0.02
 C247-C207
 2.65 with sigma of 0.02
 C125-C103
 2.65 with sigma of 0.02
 C199-C5
 2.65 with sigma of 0.02
 C119-C159
 2.65 with sigma of 0.02
 C119-C39
 2.65 with sigma of 0.02
 C251-C159
 2.65 with sigma of 0.02
 C237-C79
 2.65 with sigma of 0.02
 C199-C79
 2.65 with sigma of 0.02
 C189-C39 = C119-C5 = C159-C199 = C251-C79 = C237-C157
 1.53 with sigma of 0.02
 C251-C157
 2.65 with sigma of 0.02
 C189-C157
 2.65 with sigma of 0.02
 C237-C39
 2.65 with sigma of 0.02
 C189-C5
 2.65 with sigma of 0.02
 C93-C228 = C117-C230 = C15-C232 = C239-C234 = C241-C236
 1.53 with sigma of 0.02
 C239-C236
 2.65 with sigma of 0.02
 C15-C234
 2.65 with sigma of 0.02
 C93-C236
 2.65 with sigma of 0.02
 C241-C228
 2.65 with sigma of 0.02
 C93-C230
 2.65 with sigma of 0.02
 C239-C232
 2.65 with sigma of 0.02
 C117-C228
 2.65 with sigma of 0.02
 C241-C234
 2.65 with sigma of 0.02
 C117-C232
 2.65 with sigma of 0.02
 C15-C230
 2.65 with sigma of 0.02
 C161-C153
 2.65 with sigma of 0.02
 C25-C75
 2.65 with sigma of 0.02
 C45-C77
 2.65 with sigma of 0.02
 C205-C75 = C169-C151 = C161-C19 = C45-C153 = C25-C77
 1.53 with sigma of 0.02
 C161-C151
 2.65 with sigma of 0.02
 C205-C77
 2.65 with sigma of 0.02
 C45-C19
 2.65 with sigma of 0.02
 C205-C151
 2.65 with sigma of 0.02
 C25-C153
 2.65 with sigma of 0.02
 C169-C75
 2.65 with sigma of 0.02
 C169-C19
 2.65 with sigma of 0.02
 N5-C260 = C260-C186 = N5-C219
 1.39 with sigma of 0.02
 N5-C186
 2.39 with sigma of 0.02
 C260-C219
 2.39 with sigma of 0.02
 C259-C219_$1
 2.39 with sigma of 0.02
 C186-C260 = C186-C259_$1
 1.39 with sigma of 0.02
 C259-C260_$1
 2.39 with sigma of 0.02
 C186_$1-C261
 2.39 with sigma of 0.02
 C187-C42
 2.5 with sigma of 0.02
 C187-C46
 2.5 with sigma of 0.02
 C44-C187 = C91-C259
 1.53 with sigma of 0.02
 O46-C258
 2.55 with sigma of 0.02
 F104-S8
 2.6 with sigma of 0.02
 O7-C179
 2.55 with sigma of 0.02
 F6-S1
 2.6 with sigma of 0.02
 C179-O27
 2.55 with sigma of 0.02
 O13-C47
 2.55 with sigma of 0.02
 C179-O15
 2.55 with sigma of 0.02
 O53-C258
 2.55 with sigma of 0.02
 O33-C253
 2.55 with sigma of 0.02
 F9-S3
 2.6 with sigma of 0.02
 F15-S8
 2.6 with sigma of 0.02
 S2-C253 = S8-C262 = S4-C179 = S7-C258 = S3-C63 = S1-C47
 1.82 with sigma of 0.02
 F3-S2
 2.6 with sigma of 0.02
 O3-C47
 2.55 with sigma of 0.02
 F7-S2
 2.6 with sigma of 0.02
 O44-C258
 2.55 with sigma of 0.02
 F2-S2
 2.6 with sigma of 0.02
 S8-O47 = S8-O43 = S8-O50 = S2-O31 = S2-O33 = S2-O2 = S3-O35 = S3-O17 = S3-O9 =
  S1-O13 = S1-O3 = S1-O25 = S4-O7 = S4-O27 = S4-O15 = S7-O46 = S7-O53 = S7-O44
 1.42 with sigma of 0.02
 F1-S1
 2.6 with sigma of 0.02
 F4-S4
 2.6 with sigma of 0.02
 F17-S7
 2.6 with sigma of 0.02
 F51-S7
 2.6 with sigma of 0.02
 F31-S8
 2.6 with sigma of 0.02
 O2-C253
 2.55 with sigma of 0.02
 F37-S7
 2.6 with sigma of 0.02
 O31-C253
 2.55 with sigma of 0.02
 F12-S4
 2.6 with sigma of 0.02
 O43-C262
 2.55 with sigma of 0.02
 F10-S4
 2.6 with sigma of 0.02
 O50-C262
 2.55 with sigma of 0.02
 F8-S1
 2.6 with sigma of 0.02
 O47-C262
 2.55 with sigma of 0.02
 F11-S3
 2.6 with sigma of 0.02
 O9-C63
 2.55 with sigma of 0.02
 F5-S3
 2.6 with sigma of 0.02
 O35-C63
 2.55 with sigma of 0.02
 F7-C253 = F3-C253 = F2-C253 = F31-C262 = F104-C262 = F15-C262 = F10-C179 =
 F12-C179 = F4-C179 = F9-C63 = F5-C63 = F11-C63 = F6-C47 = F8-C47 = F1-C47 =
 F17-C258 = F51-C258 = F37-C258
 1.32 with sigma of 0.02
 O17-C63
 2.55 with sigma of 0.02
 O25-C47
 2.55 with sigma of 0.02
 O50-O47 = O47-O43
 2.4 with sigma of 0.02
 O35-O9 = O9-O17
 2.4 with sigma of 0.02
 O43-O47 = O47-O50
 2.4 with sigma of 0.02
 O50-O43
 2.4 with sigma of 0.02
 O43-O50
 2.4 with sigma of 0.02
 O7-O15
 2.4 with sigma of 0.02
 O3-O25 = O25-O13
 2.4 with sigma of 0.02
 O31-O2
 2.4 with sigma of 0.02
 O31-O33 = O33-O2
 2.4 with sigma of 0.02
 O35-O17 = O17-O9
 2.4 with sigma of 0.02
 O7-O27 = O27-O15
 2.4 with sigma of 0.02
 O35-O9
 2.4 with sigma of 0.02
 O35-O17
 2.4 with sigma of 0.02
 O33-O2 = O2-O31
 2.4 with sigma of 0.02
 O3-O13
 2.4 with sigma of 0.02
 O33-O31
 2.4 with sigma of 0.02
 C33-C227
 1.53 with sigma of 0.005
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.a Me refined with riding coordinates:
 C249(H24G,H24H,H24I)
5.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C22(H22), C26(H26), C36(H36), C256(H256), C42(H42), C46(H46),
 C48(H48), C50(H50), C54(H54), C56(H56), C64(H64), C70(H70), C78(H78), C80(H80),
  C82(H82), C86(H86), C88(H88), C90(H90), C92(H92), C96(H96), C98(H98),
 C106(H106), C108(H108), C110(H110), C112(H112), C116(H116), C120(H120),
 C122(H122), C124(H124), C128(H128), C130(H130), C132(H132), C134(H134),
 C136(H136), C140(H140), C150(H150), C152(H152), C154(H154), C160(H160),
 C162(H162), C164(H164), C166(H166), C172(H172), C184(H184), C260(H260),
 C190(H190), C194(H194), C198(H198), C206(H206), C214(H214), C216(H216),
 C238(H238), C244(H244), C250(H250), C2(H2), C129(H129), C65(H65), C131(H131),
 C33(H33), C67(H67), C17(H17), C139(H139), C9(H9), C155(H155), C43(H43),
 C87(H87), C91(H91), C187(H187), C211(H211), C213(H213), C107(H107), C215(H215),
  C217(H217), C219(H219), C55(H55), C221(H221), C7(H7), C57(H57), C229(H229),
 C231(H231), C186(H186), C261(H261)
5.c Fitted pentagon refined as free rotating group:
 C228(C230,C232,C234,C236), C75(C151,C19,C153,C77), C39(C157,C79,C159,C5),
 C163(C41,C165,C83,C167), C103(C207,C13,C209,C105), C121(C243,C61,C245,C123)
5.d Fitted hexagon refined as free rotating group:
 N9(C256,C42,C44,C46,C48)
5.e Idealised Me refined as rotating group:
 C138(H13D,H13E,H13F), C168(H16A,H16B,H16C), C182(H18G,H18H,H18I), C204(H20G,
 H20H,H20I), C208(H20A,H20B,H20C), C224(H22D,H22E,H22F), C135(H13A,H13B,H13C),
 C137(H13G,H13H,H13I), C69(H69A,H69B,H69C), C143(H14D,H14E,H14F), C73(H73A,H73B,
 H73C), C147(H14A,H14B,H14C), C161(H16D,H16E,H16F), C81(H81A,H81B,H81C),
 C21(H21A,H21B,H21C), C169(H16G,H16H,H16I), C85(H85A,H85B,H85C), C171(H17D,H17E,
 H17F), C175(H17G,H17H,H17I), C11(H11D,H11E,H11F), C177(H17A,H17B,H17C),
 C89(H89A,H89B,H89C), C45(H45A,H45B,H45C), C183(H18J,H18K,H18L), C23(H23M,H23N,
 H23O), C185(H18A,H18B,H18C), C93(H93A,H93B,H93C), C189(H18D,H18E,H18F),
 C95(H95A,H95B,H95C), C191(H19G,H19H,H19I), C3(H3A,H3B,H3C), C193(H19A,H19B,
 H19C), C97(H97A,H97B,H97C), C195(H19J,H19K,H19L), C49(H49A,H49B,H49C),
 C197(H19M,H19N,H19O), C199(H19D,H19E,H19F), C25(H25D,H25E,H25F), C201(H20J,
 H20K,H20L), C101(H10A,H10B,H10C), C203(H20D,H20E,H20F), C51(H51A,H51B,H51C),
 C205(H20M,H20N,H20O), C223(H22A,H22B,H22C), C225(H22G,H22H,H22I), C115(H11G,
 H11H,H11I), C233(H23A,H23B,H23C), C117(H11J,H11K,H11L), C235(H23J,H23K,H23L),
 C59(H59A,H59B,H59C), C237(H23D,H23E,H23F), C119(H11A,H11B,H11C), C239(H23G,
 H23H,H23I), C15(H15A,H15B,H15C), C241(H24D,H24E,H24F), C247(H24A,H24B,H24C),
 C31(H31A,H31B,H31C), C125(H12A,H12B,H12C), C251(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.15091(2) 0.87154(4) 0.77465(2) 0.0804(2) Uani 1 1 d . U . . .
Rh4 Rh -0.35515(2) 0.52950(4) 1.22469(2) 0.0835(3) Uani 1 1 d . U . . .
Rh6 Rh -0.09166(4) 0.64071(8) 0.98763(3) 0.0824(3) Uani 1 1 d . U . . .
Rh8 Rh -0.09279(2) 0.26801(4) 1.10914(2) 0.0804(2) Uani 1 1 d . U . . .
Rh10 Rh -0.07631(2) -0.09410(4) 1.17173(2) 0.0829(2) Uani 1 1 d . U . . .
Rh12 Rh -0.23196(2) 0.97357(5) 0.93040(2) 0.0881(3) Uani 1 1 d . U . . .
Rh3 Rh -0.33719(2) 0.19238(4) 1.07604(3) 0.0883(3) Uani 1 1 d . U . . .
Rh7 Rh -0.26719(2) 0.64060(5) 1.07481(2) 0.1039(3) Uani 1 1 d . U . . .
Rh2 Rh -0.53914(2) 0.14246(4) 0.90448(3) 0.1028(3) Uani 1 1 d . U . . .
Rh9 Rh 0.11871(3) 0.69060(4) 1.14679(3) 0.1180(4) Uani 1 1 d . U . . .
Rh5 Rh -0.37760(3) 0.39504(6) 0.86164(3) 0.1181(4) Uani 1 1 d . U . . .
Rh11 Rh -0.44346(4) 0.75625(6) 0.86384(3) 0.1321(5) Uani 1 1 d . U . . .
S1 S -0.26875(13) 0.4008(2) 1.03557(12) 0.1367(13) Uani 1 1 d D U . . .
S4 S -0.59974(13) 0.5367(3) 0.63922(13) 0.1539(16) Uani 1 1 d D U . . .
O1 O -0.33284(17) 0.4873(3) 1.19246(17) 0.0777(15) Uani 1 1 d . U . . .
O4 O -0.12118(18) 0.1891(3) 1.08725(18) 0.0834(16) Uani 1 1 d . U . . .
C1 C -0.0095(3) 0.6429(4) 1.0178(3) 0.0729(19) Uani 1 1 d . U . . .
O6 O -0.05154(18) 0.2129(3) 1.14122(18) 0.0812(16) Uani 1 1 d . U . . .
O8 O -0.11072(18) -0.0423(3) 1.12955(18) 0.0782(16) Uani 1 1 d . U . . .
C4 C -0.1732(3) 0.8532(5) 0.8384(3) 0.0783(19) Uani 1 1 d . U . . .
O10 O -0.04340(18) -0.0192(3) 1.18544(18) 0.0818(16) Uani 1 1 d . U . . .
O12 O -0.35957(19) 0.2117(4) 1.0218(2) 0.0911(17) Uani 1 1 d . U . . .
O14 O -0.20597(19) 0.8988(3) 0.92009(19) 0.0881(17) Uani 1 1 d . U . . .
O16 O -0.21352(18) 1.0177(3) 0.89552(18) 0.0845(16) Uani 1 1 d . U . . .
O18 O -0.35867(19) 0.6054(4) 1.1934(2) 0.0900(17) Uani 1 1 d . U . . .
O20 O -0.0691(2) 0.6800(3) 1.0383(2) 0.0873(16) Uani 1 1 d . U . . .
O22 O -0.16671(19) 0.9502(3) 0.79093(17) 0.0830(16) Uani 1 1 d . U . . .
O24 O -0.26852(18) 0.5628(3) 1.10242(18) 0.0853(17) Uani 1 1 d . U . . .
O26 O -0.2983(2) 0.6793(4) 1.1011(2) 0.1023(18) Uani 1 1 d . U . . .
O28 O 0.0964(2) 0.6646(3) 1.0933(2) 0.0984(19) Uani 1 1 d . U . . .
O30 O -0.38946(18) 0.1694(3) 1.0708(2) 0.0857(17) Uani 1 1 d . U . . .
N1 N -0.5992(2) 0.4443(4) 0.9107(2) 0.0764(19) Uani 1 1 d . U . . .
O32 O -0.51906(19) 0.1349(3) 0.9592(2) 0.0956(18) Uani 1 1 d . U . . .
N4 N -0.3519(2) 0.2819(4) 1.0844(2) 0.0755(17) Uani 1 1 d . U . . .
N6 N -0.4062(2) 0.5005(5) 1.1858(2) 0.0860(19) Uani 1 1 d . U . . .
N8 N -0.6158(2) 0.4963(4) 0.9180(2) 0.0768(19) Uani 1 1 d . U . . .
N10 N -0.3177(2) 0.6094(4) 1.0361(2) 0.0833(19) Uani 1 1 d . U . . .
N12 N -0.0931(2) 0.7276(4) 0.9656(2) 0.0752(17) Uani 1 1 d . U . . .
N14 N -0.1053(2) 0.9465(4) 0.9263(2) 0.082(2) Uani 1 1 d . U . . .
O34 O 0.0659(2) 0.7075(4) 1.1417(2) 0.1033(19) Uani 1 1 d . U . . .
O36 O -0.4677(2) 0.6750(5) 0.8412(2) 0.113(2) Uani 1 1 d . U . . .
O37 O -0.4014(2) 0.7032(4) 0.8972(2) 0.108(2) Uani 1 1 d . U . . .
O19 O -0.4906(2) 0.1845(4) 0.9123(2) 0.104(2) Uani 1 1 d . U . . .
N16 N 0.1187(3) 0.7791(4) 1.1264(3) 0.096(2) Uani 1 1 d . U . . .
N18 N -0.0675(2) 0.2574(4) 1.0705(2) 0.0855(18) Uani 1 1 d . U . . .
N20 N -0.5575(2) 0.2288(4) 0.9132(2) 0.0881(19) Uani 1 1 d . U . . .
N5 N -0.0986(2) 0.8910(4) 0.8141(2) 0.0810(18) Uani 1 1 d D U . . .
N22 N 0.0016(3) 0.1830(4) 0.9561(2) 0.087(2) Uani 1 1 d . U . . .
C6 C -0.1809(2) 0.9161(5) 0.8408(2) 0.0679(17) Uani 1 1 d . U . . .
N23 N -0.4696(2) 0.5367(4) 0.9122(2) 0.087(2) Uani 1 1 d . U . . .
C8 C -0.3184(2) 0.5104(5) 1.1716(3) 0.0723(18) Uani 1 1 d . U . . .
N3 N -0.0477(2) -0.1152(4) 1.1376(2) 0.0831(18) Uani 1 1 d . U . . .
N13 N 0.1061(2) 1.0014(4) 1.0944(2) 0.074(2) Uani 1 1 d . U . . .
N7 N -0.0582(3) 1.0452(6) 1.0661(3) 0.109(3) Uani 1 1 d . U . . .
C10 C -0.1946(2) 0.9344(5) 0.8694(2) 0.0673(17) Uani 1 1 d . U . . .
O21 O -0.4247(2) 0.4435(5) 0.8374(2) 0.114(2) Uani 1 1 d . U . . .
O11 O -0.3563(2) 0.4713(5) 0.8897(2) 0.114(2) Uani 1 1 d . U . . .
C12 C -0.3748(3) 0.3985(5) 1.0939(3) 0.074(2) Uani 1 1 d . U . . .
C14 C -0.2975(2) 0.4702(5) 1.1580(3) 0.077(2) Uani 1 1 d . U . . .
H14 H -0.294938 0.428609 1.164761 0.092 Uiso 1 1 calc R U . . .
N15 N -0.0249(2) 0.1977(4) 0.9735(2) 0.085(2) Uani 1 1 d . U . . .
C16 C -0.0052(3) 0.6661(4) 1.0525(3) 0.0750(18) Uani 1 1 d . U . . .
C18 C 0.1168(3) 0.8968(5) 1.0995(3) 0.084(2) Uani 1 1 d . U . . .
C20 C -0.1101(2) 0.0118(5) 1.1230(2) 0.0684(19) Uani 1 1 d . U . . .
C22 C 0.0231(3) 0.6272(4) 1.0121(3) 0.077(2) Uani 1 1 d . U . . .
H22 H 0.021007 0.611234 0.989326 0.092 Uiso 1 1 calc R U . . .
C24 C -0.3219(2) 0.5745(5) 1.1607(2) 0.0734(18) Uani 1 1 d . U . . .
C26 C -0.1421(2) 0.0365(4) 1.0944(2) 0.071(2) Uani 1 1 d . U . . .
H26 H -0.162420 0.010582 1.082721 0.085 Uiso 1 1 calc R U . . .
C28 C -0.0833(3) 0.1165(5) 1.1306(2) 0.0703(19) Uani 1 1 d . U . . .
C30 C -0.0807(2) 0.0542(5) 1.1422(2) 0.0688(18) Uani 1 1 d . U . . .
N2 N -0.3983(3) 0.3783(5) 0.9031(3) 0.105(2) Uani 1 1 d . U . . .
C32 C -0.3412(3) 0.6169(5) 1.1729(3) 0.0812(19) Uani 1 1 d . U . . .
C34 C -0.5877(3) 0.3415(5) 0.9216(3) 0.079(2) Uani 1 1 d . U . . .
C36 C -0.6030(3) 0.3975(5) 0.9258(3) 0.075(2) Uani 1 1 d . U . . .
H36 H -0.616747 0.399216 0.940676 0.090 Uiso 1 1 calc R U . . .
C38 C -0.3060(2) 0.5938(5) 1.1351(3) 0.0746(18) Uani 1 1 d . U . . .
N17 N -0.4402(2) 0.5658(4) 0.9379(2) 0.089(2) Uani 1 1 d . U . . .
N9 N -0.18065(17) 0.9976(4) 0.97143(18) 0.102(2) Uani 1 1 d G U . . .
C256 C -0.1565(2) 0.9567(3) 0.9952(2) 0.118(3) Uani 1 1 d G U . . .
H256 H -0.162845 0.915062 0.994250 0.142 Uiso 1 1 calc R U . . .
C42 C -0.1232(2) 0.9769(4) 1.0202(2) 0.125(3) Uani 1 1 d DG U . . .
H42 H -0.106760 0.948961 1.036442 0.150 Uiso 1 1 calc R U . . .
C44 C -0.11402(18) 1.0379(5) 1.0216(2) 0.134(3) Uani 1 1 d DG U . . .
C46 C -0.1381(2) 1.0787(3) 0.9978(3) 0.135(3) Uani 1 1 d DG U . . .
H46 H -0.131825 1.120377 0.998745 0.162 Uiso 1 1 calc R U . . .
C48 C -0.1714(2) 1.0586(4) 0.9728(2) 0.115(3) Uani 1 1 d G U . . .
H48 H -0.187910 1.086479 0.956552 0.139 Uiso 1 1 calc R U . . .
C50 C -0.1877(3) 1.0207(5) 0.8201(3) 0.075(2) Uani 1 1 d . U . . .
H50 H -0.185877 1.050268 0.803612 0.089 Uiso 1 1 calc R U . . .
C52 C -0.1973(3) 0.8897(5) 0.8934(3) 0.0780(19) Uani 1 1 d . U . . .
C54 C -0.3437(3) 0.3303(5) 1.0681(3) 0.077(2) Uani 1 1 d . U . . .
H54 H -0.330540 0.323907 1.052907 0.092 Uiso 1 1 calc R U . . .
O23 O -0.16075(18) 0.8290(3) 0.8159(2) 0.0849(16) Uani 1 1 d . U . . .
C56 C -0.3956(3) 0.2083(5) 0.9618(3) 0.096(2) Uani 1 1 d . U . . .
H56 H -0.374426 0.218780 0.957292 0.115 Uiso 1 1 calc R U . . .
C58 C -0.1146(2) 0.1357(5) 1.1011(3) 0.0695(19) Uani 1 1 d . U . . .
C60 C -0.1782(2) 0.9594(5) 0.8165(2) 0.0719(18) Uani 1 1 d . U . . .
C62 C -0.0950(3) 0.8401(5) 0.9330(3) 0.074(2) Uani 1 1 d . U . . .
C64 C 0.1088(3) 0.8878(5) 1.1293(3) 0.087(2) Uani 1 1 d . U . . .
H64 H 0.102931 0.921004 1.141210 0.104 Uiso 1 1 calc R U . . .
C66 C -0.2025(2) 0.9944(5) 0.8713(3) 0.0725(18) Uani 1 1 d . U . . .
C68 C 0.0619(3) 0.6599(5) 1.0721(3) 0.085(2) Uani 1 1 d . U . . .
C70 C -0.0668(3) 0.2262(5) 1.0141(3) 0.091(2) Uani 1 1 d . U . . .
H70 H -0.079740 0.212143 0.990092 0.109 Uiso 1 1 calc R U . . .
O3 O -0.3072(2) 0.4070(5) 1.0241(3) 0.149(3) Uani 1 1 d D U . . .
C72 C -0.4215(3) 0.1782(5) 1.0066(3) 0.084(2) Uani 1 1 d . U . . .
C74 C -0.2855(2) 0.5519(5) 1.1233(3) 0.0751(19) Uani 1 1 d . U . . .
N19 N -0.4680(4) 0.7428(5) 0.9013(4) 0.123(2) Uani 1 1 d . U . . .
C76 C 0.0326(3) 0.6730(4) 1.0799(3) 0.0781(19) Uani 1 1 d . U . . .
C78 C -0.0219(3) 0.0787(5) 1.1916(3) 0.077(2) Uani 1 1 d . U . . .
H78 H -0.002069 0.066655 1.212940 0.092 Uiso 1 1 calc R U . . .
C80 C -0.1989(3) 1.0373(5) 0.8456(3) 0.074(2) Uani 1 1 d . U . . .
H80 H -0.204739 1.078613 0.847195 0.089 Uiso 1 1 calc R U . . .
C82 C -0.0458(3) -0.1518(5) 1.0818(3) 0.093(2) Uani 1 1 d . U . . .
H82 H -0.058074 -0.166980 1.058022 0.112 Uiso 1 1 calc R U . . .
C84 C -0.0491(3) 0.0334(5) 1.1730(2) 0.0723(19) Uani 1 1 d . U . . .
C86 C -0.1034(3) 0.8358(5) 0.9631(3) 0.078(2) Uani 1 1 d . U . . .
H86 H -0.110132 0.870532 0.973049 0.093 Uiso 1 1 calc R U . . .
C88 C -0.0968(3) 0.8986(5) 0.9150(3) 0.081(2) Uani 1 1 d . U . . .
H88 H -0.091217 0.900056 0.893892 0.097 Uiso 1 1 calc R U . . .
C90 C 0.0561(3) 0.6344(4) 1.0376(3) 0.079(2) Uani 1 1 d . U . . .
H90 H 0.076739 0.622074 1.032773 0.095 Uiso 1 1 calc R U . . .
C92 C -0.0857(3) 0.7899(5) 0.9191(3) 0.078(2) Uani 1 1 d . U . . .
H92 H -0.080228 0.792416 0.897986 0.093 Uiso 1 1 calc R U . . .
C94 C -0.3705(4) 0.5372(7) 1.2704(3) 0.104(2) Uani 1 1 d . U . . .
C96 C -0.3766(3) 0.6248(6) 0.9903(3) 0.086(2) Uani 1 1 d . U . . .
H96 H -0.395620 0.652250 0.977359 0.103 Uiso 1 1 calc R U . . .
C98 C -0.6125(3) 0.5430(5) 0.9007(3) 0.073(2) Uani 1 1 d . U . . .
H98 H -0.601185 0.538823 0.883739 0.088 Uiso 1 1 calc R U . . .
N24 N -0.4610(3) 0.3231(5) 0.9831(3) 0.107(2) Uani 1 1 d . U . . .
C100 C -0.0543(3) 0.1572(5) 1.1490(3) 0.075(2) Uani 1 1 d . U . . .
C102 C 0.0350(4) 0.6951(5) 1.1149(3) 0.093(2) Uani 1 1 d . U . . .
C104 C -0.0356(3) 0.6807(5) 1.0607(3) 0.080(2) Uani 1 1 d . U . . .
C106 C 0.1160(3) 0.9563(5) 1.0842(3) 0.078(2) Uani 1 1 d . U . . .
H106 H 0.123945 0.959859 1.064635 0.093 Uiso 1 1 calc R U . . .
C108 C 0.1093(3) 0.8285(5) 1.1419(3) 0.095(2) Uani 1 1 d . U . . .
H108 H 0.102831 0.822118 1.162197 0.114 Uiso 1 1 calc R U . . .
C110 C -0.0843(3) 0.7349(5) 0.9361(3) 0.080(2) Uani 1 1 d . U . . .
H110 H -0.076797 0.700215 0.926624 0.095 Uiso 1 1 calc R U . . .
C112 C -0.5649(3) 0.3350(5) 0.9023(3) 0.079(2) Uani 1 1 d . U . . .
H112 H -0.558840 0.369572 0.891595 0.095 Uiso 1 1 calc R U . . .
C114 C -0.4577(3) 0.1694(5) 0.9750(3) 0.084(2) Uani 1 1 d . U . . .
C116 C -0.4121(3) 0.4404(6) 1.1789(3) 0.095(3) Uani 1 1 d . U . . .
H116 H -0.393207 0.412532 1.191466 0.114 Uiso 1 1 calc R U . . .
C118 C -0.4866(3) 0.1448(5) 0.9826(3) 0.087(2) Uani 1 1 d . U . . .
C120 C -0.0314(3) 0.2645(5) 1.0818(3) 0.091(2) Uani 1 1 d . U . . .
H120 H -0.017838 0.275515 1.106222 0.109 Uiso 1 1 calc R U . . .
C122 C -0.3818(3) 0.3486(5) 1.1104(3) 0.085(2) Uani 1 1 d . U . . .
H122 H -0.394758 0.353801 1.125887 0.102 Uiso 1 1 calc R U . . .
C124 C -0.3440(3) 0.6468(6) 1.0171(3) 0.089(2) Uani 1 1 d . U . . .
H124 H -0.340981 0.689153 1.021487 0.107 Uiso 1 1 calc R U . . .
C126 C -0.4184(3) 0.1647(5) 1.0411(3) 0.085(2) Uani 1 1 d . U . . .
C128 C -0.3417(3) 0.6776(5) 1.1635(3) 0.089(2) Uani 1 1 d . U . . .
H128 H -0.352604 0.706294 1.173971 0.106 Uiso 1 1 calc R U . . .
C130 C -0.3537(3) 0.3876(5) 1.0726(3) 0.079(2) Uani 1 1 d . U . . .
H130 H -0.346514 0.420600 1.061583 0.095 Uiso 1 1 calc R U . . .
C132 C -0.5508(3) 0.2781(5) 0.8986(3) 0.081(2) Uani 1 1 d . U . . .
H132 H -0.535812 0.275299 0.884944 0.097 Uiso 1 1 calc R U . . .
C134 C -0.4672(3) 0.5172(6) 1.1412(3) 0.090(2) Uani 1 1 d . U . . .
H134 H -0.487120 0.543035 1.128278 0.108 Uiso 1 1 calc R U . . .
C136 C -0.0097(3) 0.2186(5) 1.0047(3) 0.083(2) Uani 1 1 d . U . . .
H136 H 0.016093 0.224119 1.014346 0.100 Uiso 1 1 calc R U . . .
C138 C -0.2733(4) 0.8561(7) 0.9387(4) 0.124(4) Uani 1 1 d . U . . .
H13D H -0.294674 0.840599 0.942705 0.186 Uiso 1 1 calc R U . . .
H13E H -0.251006 0.844577 0.959056 0.186 Uiso 1 1 calc R U . . .
H13F H -0.272887 0.838844 0.916305 0.186 Uiso 1 1 calc R U . . .
C140 C -0.1913(3) 0.8257(5) 0.8881(3) 0.087(2) Uani 1 1 d . U . . .
H140 H -0.195619 0.796054 0.903145 0.105 Uiso 1 1 calc R U . . .
C142 C -0.4697(3) 0.4557(6) 1.1352(3) 0.091(2) Uani 1 1 d . U . . .
C144 C -0.3090(3) 0.6557(5) 1.1249(3) 0.090(2) Uani 1 1 d . U . . .
C146 C -0.1199(4) -0.1405(6) 1.1796(4) 0.104(2) Uani 1 1 d . U . . .
C148 C -0.4545(3) 0.6220(7) 0.8431(3) 0.100(2) Uani 1 1 d . U . . .
C150 C -0.1800(3) 0.8088(5) 0.8625(3) 0.087(2) Uani 1 1 d . U . . .
H150 H -0.176081 0.766947 0.859662 0.105 Uiso 1 1 calc R U . . .
C152 C -0.5792(3) 0.2354(5) 0.9319(3) 0.091(2) Uani 1 1 d . U . . .
H152 H -0.584695 0.200157 0.942562 0.109 Uiso 1 1 calc R U . . .
C154 C -0.3276(3) 0.6964(6) 1.1405(3) 0.094(2) Uani 1 1 d . U . . .
H154 H -0.329669 0.738048 1.133903 0.113 Uiso 1 1 calc R U . . .
C156 C -0.4065(3) 0.5422(6) 0.8650(3) 0.097(2) Uani 1 1 d . U . . .
C158 C -0.0084(3) -0.1469(5) 1.0971(3) 0.085(2) Uani 1 1 d . U . . .
C160 C -0.0660(3) -0.1321(5) 1.1043(3) 0.093(2) Uani 1 1 d . U . . .
H160 H -0.091951 -0.131805 1.094622 0.112 Uiso 1 1 calc R U . . .
C162 C -0.0289(3) 0.6959(5) 1.0967(3) 0.091(2) Uani 1 1 d . U . . .
H162 H -0.049448 0.700545 1.103142 0.109 Uiso 1 1 calc R U . . .
C164 C -0.0122(3) -0.1148(5) 1.1493(3) 0.091(2) Uani 1 1 d . U . . .
H164 H 0.000468 -0.103533 1.173806 0.110 Uiso 1 1 calc R U . . .
C166 C -0.4324(3) 0.5432(6) 1.1686(3) 0.091(2) Uani 1 1 d . U . . .
H166 H -0.428811 0.585361 1.173538 0.109 Uiso 1 1 calc R U . . .
C168 C -0.0252(4) -0.2027(7) 1.2179(4) 0.131(4) Uani 1 1 d . U . . .
H16A H -0.016036 -0.199937 1.198379 0.197 Uiso 1 1 calc R U . . .
H16B H -0.029367 -0.245341 1.222022 0.197 Uiso 1 1 calc R U . . .
H16C H -0.007117 -0.185396 1.240061 0.197 Uiso 1 1 calc R U . . .
C170 C -0.3457(3) 0.5812(6) 1.2726(3) 0.101(2) Uani 1 1 d . U . . .
C172 C -0.3478(4) 0.5726(7) 0.9110(3) 0.106(3) Uani 1 1 d . U . . .
H172 H -0.323056 0.562917 0.925331 0.127 Uiso 1 1 calc R U . . .
C174 C -0.1496(3) 0.6248(6) 0.9694(4) 0.105(2) Uani 1 1 d . U . . .
C176 C -0.1379(4) 0.3115(6) 1.1150(4) 0.112(2) Uani 1 1 d . U . . .
C178 C -0.1047(4) 0.5502(6) 0.9961(4) 0.107(2) Uani 1 1 d . U . . .
C180 C -0.1253(4) 0.3488(6) 1.0924(4) 0.111(2) Uani 1 1 d . U . . .
C182 C -0.2330(3) 0.8240(8) 0.7250(4) 0.153(5) Uani 1 1 d D U . . .
H18G H -0.240869 0.783093 0.715833 0.229 Uiso 1 1 calc R U . . .
H18H H -0.249113 0.853859 0.708301 0.229 Uiso 1 1 calc R U . . .
H18I H -0.234215 0.828639 0.748859 0.229 Uiso 1 1 calc R U . . .
C184 C -0.0136(3) 0.2565(5) 1.0592(3) 0.091(2) Uani 1 1 d . U . . .
H184 H 0.011561 0.266824 1.067026 0.109 Uiso 1 1 calc R U . . .
C260 C -0.0749(3) 0.8488(5) 0.8336(3) 0.091(2) Uani 1 1 d D U . . .
H260 H -0.081219 0.807144 0.830045 0.109 Uiso 1 1 calc R U . . .
C188 C -0.2802(3) 0.2005(6) 1.1099(4) 0.100(2) Uani 1 1 d . U . . .
C190 C -0.0854(3) 0.2389(5) 1.0375(3) 0.092(2) Uani 1 1 d . U . . .
H190 H -0.111123 0.233715 1.029039 0.110 Uiso 1 1 calc R U . . .
C192 C -0.1019(4) -0.0981(7) 1.2087(4) 0.113(2) Uani 1 1 d . U . . .
C194 C -0.4662(3) 0.5222(6) 0.8178(3) 0.100(3) Uani 1 1 d . U . . .
H194 H -0.482364 0.495033 0.800706 0.120 Uiso 1 1 calc R U . . .
C196 C -0.3811(3) 0.5634(6) 0.9826(3) 0.090(2) Uani 1 1 d . U . . .
C198 C -0.4776(3) 0.5767(6) 0.8192(3) 0.103(3) Uani 1 1 d . U . . .
H198 H -0.501832 0.587326 0.803910 0.124 Uiso 1 1 calc R U . . .
C200 C -0.3117(3) 0.5525(6) 1.2734(3) 0.100(2) Uani 1 1 d . U . . .
C202 C -0.4884(4) 0.7259(6) 0.9573(4) 0.117(3) Uani 1 1 d . U . . .
C204 C -0.3349(4) 0.0605(7) 1.1131(5) 0.152(5) Uani 1 1 d . U . . .
H20G H -0.359724 0.059302 1.094563 0.228 Uiso 1 1 calc R U . . .
H20H H -0.336012 0.068558 1.136740 0.228 Uiso 1 1 calc R U . . .
H20I H -0.322900 0.021383 1.113809 0.228 Uiso 1 1 calc R U . . .
O25 O -0.2483(3) 0.4547(5) 1.0565(3) 0.176(4) Uani 1 1 d D U . . .
C206 C -0.3539(3) 0.5285(6) 1.0013(3) 0.097(3) Uani 1 1 d . U . . .
H206 H -0.355630 0.486189 0.996571 0.117 Uiso 1 1 calc R U . . .
C208 C -0.0993(4) -0.2340(6) 1.1548(4) 0.124(4) Uani 1 1 d . U . . .
H20A H -0.117850 -0.223698 1.131083 0.186 Uiso 1 1 calc R U . . .
H20B H -0.107577 -0.269013 1.164735 0.186 Uiso 1 1 calc R U . . .
H20C H -0.076275 -0.243837 1.152360 0.186 Uiso 1 1 calc R U . . .
C210 C -0.5052(3) 0.4310(6) 1.1064(3) 0.099(3) Uani 1 1 d . U . . .
F1 F -0.2796(3) 0.4627(5) 0.9783(3) 0.186(4) Uani 1 1 d D U . . .
C212 C -0.0651(4) -0.1175(7) 1.2259(4) 0.113(2) Uani 1 1 d . U . . .
C214 C -0.5936(3) 0.2878(5) 0.9366(3) 0.088(2) Uani 1 1 d . U . . .
H214 H -0.608379 0.288417 0.950545 0.106 Uiso 1 1 calc R U . . .
C216 C 0.0033(4) 0.7040(5) 1.1221(3) 0.094(2) Uani 1 1 d . U . . .
H216 H 0.005267 0.716112 1.145521 0.113 Uiso 1 1 calc R U . . .
C218 C -0.1087(4) 0.5569(6) 0.9587(4) 0.106(2) Uani 1 1 d . U . . .
C220 C -0.3947(4) 0.6480(7) 0.8923(3) 0.104(2) Uani 1 1 d . U . . .
C222 C -0.4195(3) 0.6033(6) 0.8658(3) 0.094(2) Uani 1 1 d . U . . .
C224 C -0.2605(3) 0.2595(6) 1.1236(4) 0.110(4) Uani 1 1 d . U . . .
H22D H -0.248438 0.272756 1.107596 0.164 Uiso 1 1 calc R U . . .
H22E H -0.242160 0.253716 1.148116 0.164 Uiso 1 1 calc R U . . .
H22F H -0.278136 0.290337 1.124052 0.164 Uiso 1 1 calc R U . . .
C226 C -0.0798(4) 0.3389(6) 1.1501(4) 0.108(2) Uani 1 1 d . U . . .
C228 C -0.5911(2) 0.1008(4) 0.8742(3) 0.130(3) Uani 1 1 d DG U . . .
C230 C -0.5764(3) 0.1273(4) 0.8504(3) 0.128(3) Uani 1 1 d DG U . . .
C232 C -0.5423(2) 0.0990(5) 0.8566(3) 0.138(3) Uani 1 1 d DG U . . .
C234 C -0.5360(2) 0.0550(4) 0.8842(3) 0.141(3) Uani 1 1 d DG U . . .
C236 C -0.5662(3) 0.0561(4) 0.8951(3) 0.139(3) Uani 1 1 d DG U . . .
C238 C -0.4505(3) 0.1384(5) 1.0477(4) 0.091(2) Uani 1 1 d . U . . .
H238 H -0.448277 0.126753 1.071273 0.110 Uiso 1 1 calc R U . . .
C240 C -0.2875(3) 0.9558(7) 0.9015(4) 0.108(2) Uani 1 1 d . U . . .
C242 C -0.4308(3) 0.5002(7) 0.8407(3) 0.101(2) Uani 1 1 d . U . . .
C244 C -0.4452(4) 0.3539(6) 0.9251(4) 0.111(3) Uani 1 1 d . U . . .
H244 H -0.470056 0.345279 0.920530 0.133 Uiso 1 1 calc R U . . .
C246 C -0.3561(4) 0.4786(7) 1.2701(3) 0.103(2) Uani 1 1 d . U . . .
C248 C -0.1352(4) 0.6019(6) 0.9433(4) 0.107(2) Uani 1 1 d . U . . .
C250 C -0.3575(4) 0.6241(7) 0.9132(4) 0.109(3) Uani 1 1 d . U . . .
H250 H -0.340182 0.650958 0.929367 0.131 Uiso 1 1 calc R U . . .
C252 C -0.3127(4) 0.1117(6) 1.1039(5) 0.113(2) Uani 1 1 d . U . . .
C254 C -0.4614(3) 0.1855(5) 0.9409(3) 0.091(2) Uani 1 1 d . U . . .
C127 C -0.3703(4) 0.5238(7) 0.8884(3) 0.105(3) Uani 1 1 d . U . . .
C2 C 0.1275(3) 0.7895(6) 1.0978(4) 0.102(3) Uani 1 1 d . U . . .
H2 H 0.134066 0.756234 1.086516 0.122 Uiso 1 1 calc R U . . .
C129 C -0.4128(3) 0.5368(6) 0.9541(3) 0.090(3) Uani 1 1 d . U . . .
H129 H -0.411977 0.495381 0.948110 0.108 Uiso 1 1 calc R U . . .
C65 C -0.5141(4) 0.7195(6) 0.9256(4) 0.120(3) Uani 1 1 d . U . . .
H65 H -0.538401 0.708699 0.922176 0.144 Uiso 1 1 calc R U . . .
C131 C -0.4447(3) 0.4189(6) 1.1541(3) 0.094(3) Uani 1 1 d . U . . .
H131 H -0.448613 0.376430 1.151039 0.113 Uiso 1 1 calc R U . . .
C33 C -0.4317(4) 0.3389(6) 0.9900(3) 0.109(3) Uani 1 1 d D U . . .
H33 H -0.415339 0.341443 1.014535 0.131 Uiso 1 1 calc R U . . .
C133 C -0.2626(4) 0.9617(8) 0.9637(4) 0.114(2) Uani 1 1 d . U . . .
C67 C -0.3759(4) 0.3794(6) 0.9384(4) 0.112(3) Uani 1 1 d . U . . .
H67 H -0.350920 0.389265 0.944242 0.134 Uiso 1 1 calc R U . . .
C135 C -0.0813(4) 0.5045(6) 1.0212(4) 0.128(4) Uani 1 1 d . U . . .
H13A H -0.072746 0.520172 1.045957 0.192 Uiso 1 1 calc R U . . .
H13B H -0.060271 0.495769 1.014804 0.192 Uiso 1 1 calc R U . . .
H13C H -0.095365 0.467294 1.019481 0.192 Uiso 1 1 calc R U . . .
C17 C 0.0086(3) -0.1285(5) 1.1308(3) 0.093(2) Uani 1 1 d . U . . .
H17 H 0.034489 -0.125073 1.141436 0.111 Uiso 1 1 calc R U . . .
C137 C -0.3011(4) 0.1810(8) 1.1634(4) 0.137(4) Uani 1 1 d . U . . .
H13G H -0.278951 0.166502 1.182971 0.205 Uiso 1 1 calc R U . . .
H13H H -0.322616 0.162644 1.165717 0.205 Uiso 1 1 calc R U . . .
H13I H -0.302554 0.225182 1.164752 0.205 Uiso 1 1 calc R U . . .
C69 C -0.4091(4) 0.5512(8) 1.2673(4) 0.124(4) Uani 1 1 d . U . . .
H69A H -0.423069 0.513484 1.263733 0.186 Uiso 1 1 calc R U . . .
H69B H -0.420891 0.578217 1.246650 0.186 Uiso 1 1 calc R U . . .
H69C H -0.408281 0.571095 1.289500 0.186 Uiso 1 1 calc R U . . .
C139 C -0.4320(4) 0.3660(6) 0.8959(4) 0.110(3) Uani 1 1 d . U . . .
H139 H -0.448762 0.364704 0.871472 0.132 Uiso 1 1 calc R U . . .
C35 C -0.1092(4) 0.3030(7) 1.1494(4) 0.113(2) Uani 1 1 d . U . . .
C141 C -0.0940(7) 0.6447(12) 0.9983(5) 0.095(3) Uani 1 1 d . U . . .
F4 F -0.6428(4) 0.5963(6) 0.5815(4) 0.225(4) Uani 1 1 d D U . . .
C71 C -0.2998(3) 0.1637(6) 1.1281(4) 0.107(2) Uani 1 1 d . U . . .
C143 C -0.2912(4) 0.4407(7) 1.2737(4) 0.128(4) Uani 1 1 d . U . . .
H14D H -0.274131 0.457141 1.263633 0.191 Uiso 1 1 calc R U . . .
H14E H -0.304262 0.406104 1.259156 0.191 Uiso 1 1 calc R U . . .
H14F H -0.277560 0.427417 1.298663 0.191 Uiso 1 1 calc R U . . .
C9 C -0.4283(3) 0.2032(5) 0.9331(4) 0.095(2) Uani 1 1 d . U . . .
H9 H -0.430136 0.210590 0.909050 0.114 Uiso 1 1 calc R U . . .
C145 C -0.1296(4) 0.5896(6) 1.0018(4) 0.107(2) Uani 1 1 d . U . . .
C73 C -0.2032(4) 0.9474(6) 0.7063(3) 0.132(4) Uani 1 1 d D U . . .
H73A H -0.229322 0.937971 0.697760 0.198 Uiso 1 1 calc R U . . .
H73B H -0.197714 0.965391 0.686599 0.198 Uiso 1 1 calc R U . . .
H73C H -0.196760 0.976168 0.726482 0.198 Uiso 1 1 calc R U . . .
O13 O -0.2530(4) 0.3453(5) 1.0493(4) 0.200(5) Uani 1 1 d D U . . .
C147 C -0.1508(4) 0.6246(7) 0.9031(4) 0.127(4) Uani 1 1 d . U . . .
H14A H -0.131169 0.625133 0.893834 0.191 Uiso 1 1 calc R U . . .
H14B H -0.160702 0.665550 0.901966 0.191 Uiso 1 1 calc R U . . .
H14C H -0.170235 0.597175 0.888287 0.191 Uiso 1 1 calc R U . . .
C37 C -0.2841(3) 0.1710(6) 1.0768(4) 0.106(2) Uani 1 1 d . U . . .
C149 C -0.2848(4) 1.0140(8) 0.9078(4) 0.118(3) Uani 1 1 d . U . . .
C75 C -0.2120(2) 0.6286(4) 1.0815(2) 0.124(3) Uani 1 1 d DG U . . .
C151 C -0.2338(3) 0.6367(4) 1.0443(2) 0.124(3) Uani 1 1 d DG U . . .
C19 C -0.2501(2) 0.6950(4) 1.03989(18) 0.121(3) Uani 1 1 d DG U . . .
C153 C -0.2383(3) 0.7230(4) 1.0744(2) 0.124(3) Uani 1 1 d DG U . . .
C77 C -0.2148(2) 0.6819(4) 1.10017(17) 0.123(3) Uani 1 1 d DG U . . .
C155 C -0.5021(5) 0.7307(7) 0.8940(5) 0.128(3) Uani 1 1 d . U . . .
H155 H -0.519193 0.728884 0.869726 0.154 Uiso 1 1 calc R U . . .
C39 C 0.1521(3) 0.6098(4) 1.1627(3) 0.133(3) Uani 1 1 d DG U . . .
C157 C 0.1325(3) 0.6204(4) 1.1853(3) 0.135(3) Uani 1 1 d DG U . . .
C79 C 0.1437(3) 0.6774(4) 1.2024(3) 0.139(3) Uani 1 1 d DG U . . .
C159 C 0.1703(3) 0.7020(4) 1.1904(3) 0.135(3) Uani 1 1 d DG U . . .
C5 C 0.1755(3) 0.6601(4) 1.1658(3) 0.135(3) Uani 1 1 d DG U . . .
C161 C -0.2751(4) 0.7220(7) 1.0046(3) 0.154(5) Uani 1 1 d D U . . .
H16D H -0.274974 0.766246 1.006736 0.231 Uiso 1 1 calc R U . . .
H16E H -0.299946 0.706760 0.998593 0.231 Uiso 1 1 calc R U . . .
H16F H -0.266596 0.710600 0.985445 0.231 Uiso 1 1 calc R U . . .
C81 C -0.0429(4) 0.3430(7) 1.1804(4) 0.131(4) Uani 1 1 d . U . . .
H81A H -0.042888 0.376346 1.196631 0.197 Uiso 1 1 calc R U . . .
H81B H -0.024208 0.350533 1.170476 0.197 Uiso 1 1 calc R U . . .
H81C H -0.037518 0.304874 1.194012 0.197 Uiso 1 1 calc R U . . .
C163 C -0.3551(4) 0.3844(5) 0.8232(4) 0.149(3) Uani 1 1 d G U . . .
C41 C -0.3858(3) 0.3453(7) 0.8138(3) 0.153(3) Uani 1 1 d G U . . .
C165 C -0.3788(4) 0.3022(5) 0.8420(4) 0.145(3) Uani 1 1 d G U . . .
C83 C -0.3438(4) 0.3147(6) 0.8689(3) 0.140(3) Uani 1 1 d G U . . .
C167 C -0.3292(3) 0.3655(6) 0.8573(4) 0.143(3) Uani 1 1 d G U . . .
O27 O -0.5671(3) 0.5050(7) 0.6464(4) 0.226(5) Uani 1 1 d D U . . .
C21 C -0.3475(6) 0.4350(10) 0.8045(6) 0.188(6) Uani 1 1 d . U . . .
H21A H -0.327917 0.424020 0.796328 0.282 Uiso 1 1 calc R U . . .
H21B H -0.339687 0.469775 0.820960 0.282 Uiso 1 1 calc R U . . .
H21C H -0.369524 0.445661 0.783636 0.282 Uiso 1 1 calc R U . . .
C169 C -0.2399(4) 0.5907(6) 1.0131(4) 0.147(4) Uani 1 1 d D U . . .
H16G H -0.265925 0.588858 0.997744 0.221 Uiso 1 1 calc R U . . .
H16H H -0.231393 0.550538 1.023287 0.221 Uiso 1 1 calc R U . . .
H16I H -0.226054 0.603814 0.998630 0.221 Uiso 1 1 calc R U . . .
C85 C -0.2908(5) 1.0691(8) 0.8829(5) 0.155(5) Uani 1 1 d . U . . .
H85A H -0.306290 1.098636 0.888560 0.233 Uiso 1 1 calc R U . . .
H85B H -0.302727 1.056121 0.857688 0.233 Uiso 1 1 calc R U . . .
H85C H -0.267151 1.087653 0.886598 0.233 Uiso 1 1 calc R U . . .
N21 N -0.4665(3) 0.3102(5) 1.0159(3) 0.104(3) Uani 1 1 d . U . . .
C171 C -0.1594(4) -0.1371(7) 1.1541(4) 0.128(4) Uani 1 1 d . U . . .
H17D H -0.162911 -0.101984 1.138096 0.191 Uiso 1 1 calc R U . . .
H17E H -0.174948 -0.132881 1.167990 0.191 Uiso 1 1 calc R U . . .
H17F H -0.166039 -0.174160 1.139521 0.191 Uiso 1 1 calc R U . . .
C43 C -0.3861(4) 0.3678(6) 0.9651(4) 0.115(3) Uani 1 1 d . U . . .
H43 H -0.368394 0.368396 0.989198 0.138 Uiso 1 1 calc R U . . .
F6 F -0.2775(4) 0.3699(6) 0.9702(3) 0.213(4) Uani 1 1 d D U . . .
C173 C -0.2755(3) 0.9215(7) 0.9357(3) 0.103(2) Uani 1 1 d . U . . .
C87 C -0.4471(5) 0.7513(7) 0.9371(5) 0.133(3) Uani 1 1 d . U . . .
H87 H -0.422272 0.761872 0.942637 0.159 Uiso 1 1 calc R U . . .
C175 C -0.3518(4) 0.6468(7) 1.2710(4) 0.133(4) Uani 1 1 d . U . . .
H17G H -0.376807 0.655739 1.254360 0.200 Uiso 1 1 calc R U . . .
H17H H -0.334454 0.666779 1.262503 0.200 Uiso 1 1 calc R U . . .
H17I H -0.348127 0.661911 1.295204 0.200 Uiso 1 1 calc R U . . .
C11 C -0.2490(4) 0.9514(8) 1.0019(4) 0.137(4) Uani 1 1 d . U . . .
H11D H -0.238669 0.910450 1.007214 0.205 Uiso 1 1 calc R U . . .
H11E H -0.269004 0.955391 1.010409 0.205 Uiso 1 1 calc R U . . .
H11F H -0.229935 0.981188 1.014221 0.205 Uiso 1 1 calc R U . . .
C177 C -0.3052(4) 0.9309(8) 0.8645(3) 0.130(4) Uani 1 1 d . U . . .
H17A H -0.309237 0.963590 0.846784 0.194 Uiso 1 1 calc R U . . .
H17B H -0.328776 0.912800 0.861639 0.194 Uiso 1 1 calc R U . . .
H17C H -0.289472 0.899895 0.860495 0.194 Uiso 1 1 calc R U . . .
C89 C -0.2773(3) 0.5853(8) 1.2764(4) 0.131(4) Uani 1 1 d . U . . .
H89A H -0.283537 0.625638 1.265476 0.197 Uiso 1 1 calc R U . . .
H89B H -0.264666 0.562266 1.263672 0.197 Uiso 1 1 calc R U . . .
H89C H -0.261196 0.589439 1.301912 0.197 Uiso 1 1 calc R U . . .
F8 F -0.2275(3) 0.4187(7) 1.0006(3) 0.207(4) Uani 1 1 d D U . . .
C179 C -0.6168(4) 0.5523(8) 0.5902(3) 0.176(4) Uani 1 1 d D U . . .
F10 F -0.6410(4) 0.5134(7) 0.5724(3) 0.240(5) Uani 1 1 d D U . . .
C45 C -0.2522(4) 0.7838(6) 1.0831(4) 0.158(5) Uani 1 1 d D U . . .
H45A H -0.245699 0.787062 1.109232 0.236 Uiso 1 1 calc R U . . .
H45B H -0.278841 0.785874 1.070611 0.236 Uiso 1 1 calc R U . . .
H45C H -0.240962 0.817236 1.074934 0.236 Uiso 1 1 calc R U . . .
C181 C -0.0937(4) -0.1814(6) 1.1797(4) 0.105(2) Uani 1 1 d . U . . .
C91 C -0.0040(4) 1.0387(7) 1.1139(4) 0.124(3) Uani 1 1 d D U . . .
H91 H -0.007208 0.996874 1.117577 0.149 Uiso 1 1 calc R U . . .
C183 C -0.1763(4) 0.2805(7) 1.1016(5) 0.142(5) Uani 1 1 d . U . . .
H18J H -0.194889 0.308995 1.086559 0.212 Uiso 1 1 calc R U . . .
H18K H -0.181902 0.268545 1.122458 0.212 Uiso 1 1 calc R U . . .
H18L H -0.176153 0.244493 1.087289 0.212 Uiso 1 1 calc R U . . .
C23 C -0.3724(4) 0.4174(7) 1.2702(4) 0.126(4) Uani 1 1 d . U . . .
H23M H -0.363249 0.401286 1.294848 0.189 Uiso 1 1 calc R U . . .
H23N H -0.365646 0.389873 1.254524 0.189 Uiso 1 1 calc R U . . .
H23O H -0.399108 0.420882 1.261100 0.189 Uiso 1 1 calc R U . . .
F12 F -0.5934(4) 0.5649(8) 0.5781(4) 0.232(5) Uani 1 1 d D U . . .
C185 C -0.0887(4) 0.5255(6) 0.9416(4) 0.129(4) Uani 1 1 d . U . . .
H18A H -0.062460 0.529906 0.955935 0.194 Uiso 1 1 calc R U . . .
H18B H -0.094345 0.542463 0.917393 0.194 Uiso 1 1 calc R U . . .
H18C H -0.095270 0.482510 0.939516 0.194 Uiso 1 1 calc R U . . .
C93 C -0.6276(3) 0.1125(8) 0.8780(5) 0.161(5) Uani 1 1 d D U . . .
H93A H -0.622979 0.129957 0.901841 0.242 Uiso 1 1 calc R U . . .
H93B H -0.640876 0.074265 0.875370 0.242 Uiso 1 1 calc R U . . .
H93C H -0.642142 0.140901 0.859163 0.242 Uiso 1 1 calc R U . . .
C187 C -0.0792(3) 1.0680(7) 1.0475(4) 0.135(4) Uani 1 1 d D U . . .
H187 H -0.077024 1.110741 1.046009 0.162 Uiso 1 1 calc R U . . .
C47 C -0.2621(4) 0.4125(7) 0.9941(3) 0.158(3) Uani 1 1 d D U . . .
N11 N -0.0260(3) 1.0657(5) 1.0916(3) 0.106(3) Uani 1 1 d . U . . .
C189 C 0.1482(5) 0.5548(6) 1.1384(4) 0.166(6) Uani 1 1 d D U . . .
H18D H 0.159942 0.563221 1.121302 0.249 Uiso 1 1 calc R U . . .
H18E H 0.122257 0.546106 1.124994 0.249 Uiso 1 1 calc R U . . .
H18F H 0.159986 0.519636 1.153268 0.249 Uiso 1 1 calc R U . . .
C95 C -0.5124(4) 0.8642(10) 0.8411(6) 0.211(7) Uani 1 1 d D U . . .
H95A H -0.530555 0.844937 0.819695 0.317 Uiso 1 1 calc R U . . .
H95B H -0.516266 0.908107 0.839760 0.317 Uiso 1 1 calc R U . . .
H95C H -0.514877 0.848355 0.862901 0.317 Uiso 1 1 calc R U . . .
C191 C -0.4953(4) 0.7897(8) 0.7831(4) 0.169(5) Uani 1 1 d D U . . .
H19G H -0.519512 0.796829 0.783746 0.254 Uiso 1 1 calc R U . . .
H19H H -0.491696 0.746106 0.781248 0.254 Uiso 1 1 calc R U . . .
H19I H -0.493701 0.810437 0.762130 0.254 Uiso 1 1 calc R U . . .
C3 C -0.2922(4) 0.3922(9) 0.8779(5) 0.163(5) Uani 1 1 d . U . . .
H3A H -0.276796 0.387443 0.863808 0.245 Uiso 1 1 calc R U . . .
H3B H -0.280792 0.371132 0.901075 0.245 Uiso 1 1 calc R U . . .
H3C H -0.294693 0.435311 0.882214 0.245 Uiso 1 1 calc R U . . .
C193 C -0.1351(4) 0.6015(8) 1.0383(4) 0.134(4) Uani 1 1 d . U . . .
H19A H -0.147545 0.640384 1.036752 0.201 Uiso 1 1 calc R U . . .
H19B H -0.111198 0.602663 1.058377 0.201 Uiso 1 1 calc R U . . .
H19C H -0.149876 0.568917 1.042302 0.201 Uiso 1 1 calc R U . . .
C97 C -0.1437(5) 0.3731(7) 1.0552(5) 0.147(5) Uani 1 1 d . U . . .
H97A H -0.136213 0.415300 1.054567 0.221 Uiso 1 1 calc R U . . .
H97B H -0.170266 0.371392 1.048258 0.221 Uiso 1 1 calc R U . . .
H97C H -0.136827 0.348841 1.038350 0.221 Uiso 1 1 calc R U . . .
C195 C -0.3270(5) 0.2753(8) 0.9032(5) 0.158(5) Uani 1 1 d . U . . .
H19J H -0.343433 0.275158 0.916407 0.237 Uiso 1 1 calc R U . . .
H19K H -0.303291 0.292066 0.918762 0.237 Uiso 1 1 calc R U . . .
H19L H -0.323790 0.233771 0.896363 0.237 Uiso 1 1 calc R U . . .
O7 O -0.5973(5) 0.5961(6) 0.6508(5) 0.276(7) Uani 1 1 d D U . . .
C49 C -0.1202(5) -0.0434(8) 1.2199(5) 0.155(5) Uani 1 1 d . U . . .
H49A H -0.104109 -0.007993 1.224535 0.233 Uiso 1 1 calc R U . . .
H49B H -0.124224 -0.053694 1.241926 0.233 Uiso 1 1 calc R U . . .
H49C H -0.143627 -0.034222 1.200400 0.233 Uiso 1 1 calc R U . . .
C197 C -0.4356(6) 0.8940(9) 0.9077(5) 0.213(7) Uani 1 1 d D U . . .
H19M H -0.459670 0.901898 0.908412 0.320 Uiso 1 1 calc R U . . .
H19N H -0.422547 0.932338 0.909618 0.320 Uiso 1 1 calc R U . . .
H19O H -0.421551 0.867587 0.927970 0.320 Uiso 1 1 calc R U . . .
C99 C -0.2679(4) 1.0173(8) 0.9481(4) 0.123(3) Uani 1 1 d . U . . .
C199 C 0.1926(4) 0.7590(6) 1.2028(5) 0.175(6) Uani 1 1 d D U . . .
H19D H 0.187011 0.777734 1.222328 0.263 Uiso 1 1 calc R U . . .
H19E H 0.186512 0.787408 1.182524 0.263 Uiso 1 1 calc R U . . .
H19F H 0.218624 0.749006 1.211661 0.263 Uiso 1 1 calc R U . . .
C25 C -0.1971(4) 0.6948(7) 1.1405(3) 0.149(5) Uani 1 1 d D U . . .
H25D H -0.177752 0.665124 1.152024 0.223 Uiso 1 1 calc R U . . .
H25E H -0.215598 0.692051 1.151152 0.223 Uiso 1 1 calc R U . . .
H25F H -0.186615 0.735695 1.144309 0.223 Uiso 1 1 calc R U . . .
C201 C -0.3150(5) 0.0778(8) 1.0388(5) 0.158(5) Uani 1 1 d . U . . .
H20J H -0.335445 0.050968 1.036696 0.237 Uiso 1 1 calc R U . . .
H20K H -0.293702 0.053300 1.040643 0.237 Uiso 1 1 calc R U . . .
H20L H -0.321939 0.103692 1.017296 0.237 Uiso 1 1 calc R U . . .
C101 C -0.1655(5) 0.7281(5) 0.7538(5) 0.181(6) Uani 1 1 d D U . . .
H10A H -0.140619 0.714803 0.768633 0.272 Uiso 1 1 calc R U . . .
H10B H -0.176083 0.700745 0.733135 0.272 Uiso 1 1 calc R U . . .
H10C H -0.180491 0.727405 0.768423 0.272 Uiso 1 1 calc R U . . .
C203 C -0.0369(5) -0.0857(8) 1.2577(4) 0.150(5) Uani 1 1 d . U . . .
H20D H -0.012421 -0.096657 1.259085 0.224 Uiso 1 1 calc R U . . .
H20E H -0.039718 -0.097970 1.279976 0.224 Uiso 1 1 calc R U . . .
H20F H -0.040232 -0.041751 1.254535 0.224 Uiso 1 1 calc R U . . .
C51 C -0.4135(5) 0.7637(8) 0.8075(5) 0.185(5) Uani 1 1 d D U . . .
H51A H -0.390505 0.744778 0.823236 0.278 Uiso 1 1 calc R U . . .
H51B H -0.409146 0.788868 0.789402 0.278 Uiso 1 1 calc R U . . .
H51C H -0.431378 0.732131 0.795368 0.278 Uiso 1 1 calc R U . . .
C205 C -0.1903(4) 0.5714(6) 1.0984(4) 0.147(5) Uani 1 1 d D U . . .
H20M H -0.201894 0.536154 1.083495 0.221 Uiso 1 1 calc R U . . .
H20N H -0.190016 0.565853 1.122807 0.221 Uiso 1 1 calc R U . . .
H20O H -0.165233 0.575473 1.099681 0.221 Uiso 1 1 calc R U . . .
C103 C -0.1434(2) 0.8820(4) 0.7257(2) 0.115(2) Uani 1 1 d DG U . . .
C207 C -0.1331(2) 0.8222(4) 0.7388(2) 0.127(3) Uani 1 1 d DG U . . .
C13 C -0.1643(2) 0.7926(3) 0.7402(3) 0.131(3) Uani 1 1 d DG U . . .
C209 C -0.19398(19) 0.8341(4) 0.7281(3) 0.117(3) Uani 1 1 d DG U . . .
C105 C -0.1810(2) 0.8893(3) 0.7191(2) 0.106(2) Uani 1 1 d DG U . . .
C211 C -0.1441(3) 0.0922(5) 1.0843(3) 0.075(2) Uani 1 1 d . U . . .
H211 H -0.165550 0.105581 1.065074 0.090 Uiso 1 1 calc R U . . .
C53 C -0.0306(3) 0.2348(5) 1.0269(3) 0.082(2) Uani 1 1 d . U . . .
C213 C -0.2821(2) 0.4907(5) 1.1367(3) 0.075(2) Uani 1 1 d . U . . .
H213 H -0.267655 0.463374 1.129466 0.090 Uiso 1 1 calc R U . . .
C107 C -0.3231(3) 0.5509(6) 1.0274(3) 0.088(2) Uani 1 1 d . U . . .
H107 H -0.304307 0.523085 1.040254 0.106 Uiso 1 1 calc R U . . .
C215 C -0.1015(3) 0.7767(5) 0.9792(3) 0.080(2) Uani 1 1 d . U . . .
H215 H -0.106549 0.773254 1.000478 0.096 Uiso 1 1 calc R U . . .
C27 C -0.3918(3) 0.1986(5) 0.9985(3) 0.088(2) Uani 1 1 d . U . . .
C217 C -0.3710(3) 0.2911(5) 1.1057(3) 0.084(2) Uani 1 1 d . U . . .
H217 H -0.376944 0.257780 1.117426 0.100 Uiso 1 1 calc R U . . .
C109 C -0.0882(4) 0.3657(6) 1.1154(4) 0.107(2) Uani 1 1 d . U . . .
C219 C -0.0876(3) 0.9507(5) 0.8181(3) 0.098(3) Uani 1 1 d D U . . .
H219 H -0.104209 0.980740 0.804145 0.117 Uiso 1 1 calc R U . . .
C55 C -0.0133(3) 0.1642(5) 0.9263(3) 0.087(3) Uani 1 1 d . U . . .
H55 H -0.039085 0.159748 0.916590 0.104 Uiso 1 1 calc R U . . .
C221 C -0.0227(3) 0.1349(5) 1.1812(3) 0.081(2) Uani 1 1 d . U . . .
H221 H -0.003301 0.161681 1.194049 0.097 Uiso 1 1 calc R U . . .
C111 C -0.3181(3) 0.4887(6) 1.2734(3) 0.105(2) Uani 1 1 d . U . . .
C223 C -0.0632(4) 0.4035(6) 1.1036(4) 0.122(4) Uani 1 1 d . U . . .
H22A H -0.038124 0.400315 1.121551 0.183 Uiso 1 1 calc R U . . .
H22B H -0.071055 0.445964 1.101421 0.183 Uiso 1 1 calc R U . . .
H22C H -0.064042 0.389053 1.080144 0.183 Uiso 1 1 calc R U . . .
C7 C -0.4816(3) 0.1319(5) 1.0199(3) 0.086(2) Uani 1 1 d . U . . .
H7 H -0.502186 0.117983 1.024446 0.103 Uiso 1 1 calc R U . . .
C225 C -0.2690(4) 0.1908(7) 1.0508(4) 0.127(4) Uani 1 1 d . U . . .
H22G H -0.281845 0.227367 1.038441 0.191 Uiso 1 1 calc R U . . .
H22H H -0.272094 0.158658 1.032966 0.191 Uiso 1 1 calc R U . . .
H22I H -0.242974 0.199779 1.063373 0.191 Uiso 1 1 calc R U . . .
C113 C -0.3051(4) 0.1192(6) 1.0742(5) 0.116(2) Uani 1 1 d . U . . .
C227 C -0.4183(4) 0.3561(6) 0.9599(4) 0.110(3) Uani 1 1 d D U . . .
C57 C -0.5025(4) 0.7123(7) 0.9875(5) 0.126(3) Uani 1 1 d . U . . .
H57 H -0.486359 0.721762 1.011463 0.152 Uiso 1 1 calc R U . . .
C229 C -0.4575(5) 0.7466(7) 0.9668(5) 0.131(3) Uani 1 1 d . U . . .
H229 H -0.442579 0.757764 0.990858 0.157 Uiso 1 1 calc R U . . .
C115 C -0.1116(5) 0.2657(8) 1.1790(4) 0.151(5) Uani 1 1 d . U . . .
H11G H -0.137029 0.253683 1.173137 0.226 Uiso 1 1 calc R U . . .
H11H H -0.102813 0.289152 1.201505 0.226 Uiso 1 1 calc R U . . .
H11I H -0.096436 0.229332 1.182087 0.226 Uiso 1 1 calc R U . . .
O29 O -0.03866(18) 0.6359(3) 0.99066(17) 0.0763(15) Uani 1 1 d . U . . .
C231 C 0.1273(3) 0.8450(5) 1.0845(3) 0.097(2) Uani 1 1 d . U . . .
H231 H 0.134375 0.850076 1.064563 0.116 Uiso 1 1 calc R U . . .
C29 C -0.0603(4) -0.1684(7) 1.2075(4) 0.109(2) Uani 1 1 d . U . . .
C233 C -0.1786(4) 0.6737(8) 0.9656(5) 0.138(4) Uani 1 1 d . U . . .
H23A H -0.178102 0.704146 0.947930 0.207 Uiso 1 1 calc R U . . .
H23B H -0.173255 0.693192 0.989033 0.207 Uiso 1 1 calc R U . . .
H23C H -0.202839 0.654929 0.957293 0.207 Uiso 1 1 calc R U . . .
C117 C -0.5944(5) 0.1770(7) 0.8223(4) 0.181(6) Uani 1 1 d D U . . .
H11J H -0.619148 0.164410 0.806811 0.272 Uiso 1 1 calc R U . . .
H11K H -0.579897 0.183520 0.807532 0.272 Uiso 1 1 calc R U . . .
H11L H -0.595495 0.214716 0.834780 0.272 Uiso 1 1 calc R U . . .
C235 C -0.4017(5) 0.2575(9) 0.8462(6) 0.173(5) Uani 1 1 d . U . . .
H23J H -0.427209 0.269193 0.832948 0.260 Uiso 1 1 calc R U . . .
H23K H -0.397083 0.252958 0.871914 0.260 Uiso 1 1 calc R U . . .
H23L H -0.396790 0.219033 0.836695 0.260 Uiso 1 1 calc R U . . .
C59 C -0.4177(6) 0.3641(10) 0.7760(5) 0.200(7) Uani 1 1 d . U . . .
H59A H -0.415974 0.338901 0.756561 0.300 Uiso 1 1 calc R U . . .
H59B H -0.414888 0.406811 0.770959 0.300 Uiso 1 1 calc R U . . .
H59C H -0.441525 0.357935 0.777588 0.300 Uiso 1 1 calc R U . . .
C237 C 0.1041(4) 0.5781(7) 1.1903(5) 0.166(5) Uani 1 1 d D U . . .
H23D H 0.088870 0.601071 1.200199 0.249 Uiso 1 1 calc R U . . .
H23E H 0.116641 0.545432 1.207109 0.249 Uiso 1 1 calc R U . . .
H23F H 0.088683 0.560629 1.166947 0.249 Uiso 1 1 calc R U . . .
O15 O -0.6280(4) 0.4997(8) 0.6404(4) 0.232(5) Uani 1 1 d D U . . .
C119 C 0.2007(4) 0.6693(8) 1.1452(5) 0.164(5) Uani 1 1 d D U . . .
H11A H 0.226115 0.671566 1.162432 0.246 Uiso 1 1 calc R U . . .
H11B H 0.194171 0.707075 1.131304 0.246 Uiso 1 1 calc R U . . .
H11C H 0.197922 0.635196 1.128695 0.246 Uiso 1 1 calc R U . . .
C239 C -0.5043(4) 0.0102(7) 0.8989(5) 0.197(7) Uani 1 1 d D U . . .
H23G H -0.513545 -0.031217 0.892816 0.295 Uiso 1 1 calc R U . . .
H23H H -0.492547 0.014363 0.925225 0.295 Uiso 1 1 calc R U . . .
H23I H -0.486393 0.018649 0.888047 0.295 Uiso 1 1 calc R U . . .
C15 C -0.5175(5) 0.1131(9) 0.8359(5) 0.187(6) Uani 1 1 d D U . . .
H15A H -0.516938 0.156932 0.832363 0.280 Uiso 1 1 calc R U . . .
H15B H -0.527154 0.092785 0.812358 0.280 Uiso 1 1 calc R U . . .
H15C H -0.492753 0.098442 0.849867 0.280 Uiso 1 1 calc R U . . .
C241 C -0.5712(5) 0.0212(8) 0.9258(4) 0.180(6) Uani 1 1 d D U . . .
H24D H -0.571461 -0.022373 0.921047 0.271 Uiso 1 1 calc R U . . .
H24E H -0.594352 0.033026 0.927468 0.271 Uiso 1 1 calc R U . . .
H24F H -0.550956 0.030580 0.948675 0.271 Uiso 1 1 calc R U . . .
C121 C -0.4282(3) 0.8033(5) 0.8303(3) 0.157(3) Uani 1 1 d DG U . . .
C243 C -0.4665(3) 0.8138(5) 0.8170(3) 0.155(3) Uani 1 1 d DG U . . .
C61 C -0.4740(3) 0.8503(6) 0.8425(3) 0.167(3) Uani 1 1 d DG U . . .
C245 C -0.4404(3) 0.8625(6) 0.8716(3) 0.170(3) Uani 1 1 d DG U . . .
C123 C -0.4121(3) 0.8334(6) 0.8641(3) 0.161(3) Uani 1 1 d DG U . . .
C247 C -0.1212(4) 0.9327(8) 0.7180(5) 0.174(5) Uani 1 1 d D U . . .
H24A H -0.130755 0.972047 0.721686 0.260 Uiso 1 1 calc R U . . .
H24B H -0.123048 0.929698 0.692927 0.260 Uiso 1 1 calc R U . . .
H24C H -0.095537 0.929066 0.734415 0.260 Uiso 1 1 calc R U . . .
C31 C -0.2624(5) 1.0787(8) 0.9648(5) 0.163(5) Uani 1 1 d . U . . .
H31A H -0.238202 1.080755 0.984421 0.245 Uiso 1 1 calc R U . . .
H31B H -0.281248 1.086639 0.974397 0.245 Uiso 1 1 calc R U . . .
H31C H -0.263935 1.109178 0.946408 0.245 Uiso 1 1 calc R U . . .
C249 C -0.3726(4) 0.8352(9) 0.8935(5) 0.207(7) Uani 1 1 d D U . . .
H24G H -0.356007 0.813531 0.884740 0.310 Uiso 1 1 calc R U . . .
H24H H -0.364608 0.877428 0.898674 0.310 Uiso 1 1 calc R U . . .
H24I H -0.372280 0.815828 0.915663 0.310 Uiso 1 1 calc R U . . .
C125 C -0.0957(4) 0.7926(8) 0.7472(5) 0.180(6) Uani 1 1 d D U . . .
H12A H -0.076348 0.820514 0.761617 0.270 Uiso 1 1 calc R U . . .
H12B H -0.092703 0.783438 0.724493 0.270 Uiso 1 1 calc R U . . .
H12C H -0.094078 0.755074 0.760742 0.270 Uiso 1 1 calc R U . . .
S2 S -0.2035(2) 0.4008(4) 0.6936(2) 0.232(3) Uani 1 1 d D U . . .
F3 F -0.2025(4) 0.3721(8) 0.6330(4) 0.256(5) Uani 1 1 d D U . . .
F7 F -0.1498(4) 0.3775(8) 0.6747(5) 0.274(6) Uani 1 1 d D U . . .
O31 O -0.1772(4) 0.4317(7) 0.7241(4) 0.257(6) Uani 1 1 d D U . . .
F2 F -0.1763(5) 0.4612(8) 0.6547(5) 0.278(6) Uani 1 1 d D U . . .
O2 O -0.2367(3) 0.4327(7) 0.6755(4) 0.239(6) Uani 1 1 d D U . . .
O33 O -0.2065(5) 0.3363(5) 0.6971(5) 0.267(6) Uani 1 1 d D U . . .
C251 C 0.1286(5) 0.7049(8) 1.2285(4) 0.180(5) Uani 1 1 d D U . . .
H25A H 0.137568 0.681890 1.251191 0.270 Uiso 1 1 calc R U . . .
H25B H 0.101838 0.703317 1.217868 0.270 Uiso 1 1 calc R U . . .
H25C H 0.136601 0.747112 1.233373 0.270 Uiso 1 1 calc R U . . .
S3 S -0.1972(2) 0.2310(3) 0.94760(18) 0.191(2) Uani 1 1 d D U . . .
F9 F -0.2512(4) 0.2251(6) 0.9710(4) 0.218(4) Uani 1 1 d D U . . .
F5 F -0.2013(4) 0.1830(7) 1.0056(3) 0.228(5) Uani 1 1 d D U . . .
O17 O -0.2117(4) 0.1762(5) 0.9275(3) 0.205(5) Uani 1 1 d D U . . .
F11 F -0.2059(4) 0.2820(7) 1.0015(4) 0.247(5) Uani 1 1 d D U . . .
C63 C -0.2153(5) 0.2301(8) 0.9834(4) 0.200(4) Uani 1 1 d D U . . .
O35 O -0.1616(3) 0.2369(7) 0.9642(4) 0.225(5) Uani 1 1 d D U . . .
O9 O -0.2185(4) 0.2832(6) 0.9260(4) 0.258(6) Uani 1 1 d D U . . .
C253 C -0.1820(5) 0.4027(9) 0.6609(5) 0.246(4) Uani 1 1 d D U . . .
S8 S -0.05766(18) 0.6666(3) 0.84941(19) 0.208(2) Uani 1 1 d D U . . .
S7 S -0.3650(2) 0.8312(4) 1.0176(2) 0.212(3) Uani 1 1 d D U . . .
F15 F -0.1022(5) 0.6160(8) 0.7939(4) 0.269(6) Uani 1 1 d D U . . .
F17 F -0.3528(5) 0.9289(7) 0.9885(5) 0.257(6) Uani 1 1 d D U . . .
O46 O -0.3448(5) 0.8010(7) 1.0511(5) 0.237(6) Uani 1 1 d D U . . .
O44 O -0.3997(4) 0.8561(7) 1.0108(5) 0.222(5) Uani 1 1 d D U . . .
F31 F -0.0956(5) 0.5710(7) 0.8401(6) 0.318(7) Uani 1 1 d D U . . .
F37 F -0.3036(4) 0.8773(8) 1.0269(6) 0.287(6) Uani 1 1 d D U . . .
C258 C -0.3379(5) 0.8973(7) 1.0186(5) 0.241(4) Uani 1 1 d D U . . .
O43 O -0.0615(5) 0.7006(8) 0.8716(4) 0.272(6) Uani 1 1 d D U . . .
O50 O -0.0301(4) 0.6221(7) 0.8523(5) 0.258(6) Uani 1 1 d D U . . .
F51 F -0.3366(5) 0.9286(7) 1.0474(5) 0.302(6) Uani 1 1 d D U . . .
O53 O -0.3631(5) 0.7980(8) 0.9890(5) 0.261(6) Uani 1 1 d D U . . .
C259 C 0.0314(3) 1.0732(7) 1.1378(4) 0.128(3) Uani 1 1 d D U . . .
C186 C -0.0404(3) 0.8662(6) 0.8594(3) 0.103(3) Uani 1 1 d D U . . .
H186 H -0.024007 0.836959 0.874399 0.124 Uiso 1 1 calc R U . . .
C261 C 0.0537(4) 1.0321(7) 1.1586(5) 0.141(4) Uani 1 1 d D U . . .
H261 H 0.046362 0.990897 1.157302 0.169 Uiso 1 1 calc R U . . .
C262 C -0.1000(4) 0.6228(8) 0.8273(5) 0.240(4) Uani 1 1 d D U . . .
O47 O -0.0618(5) 0.6996(7) 0.8124(4) 0.261(6) Uani 1 1 d D U . . .
F104 F -0.1244(4) 0.6639(9) 0.8285(5) 0.297(6) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O22 2.036(7) . ?
Rh1 N5 2.114(8) . ?
Rh1 O23 2.061(8) . ?
Rh1 C103 2.104(9) . ?
Rh1 C207 2.127(8) . ?
Rh1 C13 2.157(9) . ?
Rh1 C209 2.153(8) . ?
Rh1 C105 2.120(8) . ?
Rh4 O1 2.046(7) . ?
Rh4 O18 2.066(8) . ?
Rh4 N6 2.125(8) . ?
Rh4 C94 2.146(12) . ?
Rh4 C170 2.137(12) . ?
Rh4 C200 2.110(11) . ?
Rh4 C246 2.150(13) . ?
Rh4 C111 2.139(12) . ?
Rh6 O20 2.067(8) . ?
Rh6 N12 2.103(8) . ?
Rh6 C174 2.156(13) . ?
Rh6 C178 2.123(13) . ?
Rh6 C218 2.150(14) . ?
Rh6 C248 2.123(13) . ?
Rh6 C145 2.121(13) . ?
Rh6 O29 2.059(7) . ?
Rh8 O4 2.075(7) . ?
Rh8 O6 2.047(7) . ?
Rh8 N18 2.156(9) . ?
Rh8 C176 2.119(13) . ?
Rh8 C180 2.151(14) . ?
Rh8 C226 2.180(13) . ?
Rh8 C35 2.102(13) . ?
Rh8 C109 2.169(13) . ?
Rh10 O8 2.062(7) . ?
Rh10 O10 2.046(7) . ?
Rh10 N3 2.131(9) . ?
Rh10 C146 2.132(12) . ?
Rh10 C192 2.093(13) . ?
Rh10 C212 2.107(13) . ?
Rh10 C181 2.111(13) . ?
Rh10 C29 2.108(12) . ?
Rh12 O14 2.068(8) . ?
Rh12 O16 2.053(7) . ?
Rh12 N9 2.134(6) . ?
Rh12 C240 2.093(13) . ?
Rh12 C133 2.134(13) . ?
Rh12 C149 2.131(14) . ?
Rh12 C173 2.151(12) . ?
Rh12 C99 2.059(14) . ?
Rh3 O12 2.052(8) . ?
Rh3 O30 2.063(7) . ?
Rh3 N4 2.122(8) . ?
Rh3 C188 2.151(11) . ?
Rh3 C252 2.128(13) . ?
Rh3 C71 2.137(13) . ?
Rh3 C37 2.143(12) . ?
Rh3 C113 2.074(13) . ?
Rh7 O24 2.054(7) . ?
Rh7 O26 2.085(9) . ?
Rh7 N10 2.122(8) . ?
Rh7 C75 2.114(9) . ?
Rh7 C151 2.118(9) . ?
Rh7 C19 2.141(9) . ?
Rh7 C153 2.151(9) . ?
Rh7 C77 2.135(9) . ?
Rh2 O32 2.032(9) . ?
Rh2 O19 2.048(9) . ?
Rh2 N20 2.115(9) . ?
Rh2 C228 2.155(10) . ?
Rh2 C230 2.128(10) . ?
Rh2 C232 2.103(10) . ?
Rh2 C234 2.114(10) . ?
Rh2 C236 2.147(10) . ?
Rh9 O28 2.060(8) . ?
Rh9 O34 2.055(9) . ?
Rh9 N16 2.116(10) . ?
Rh9 C39 2.167(10) . ?
Rh9 C157 2.103(10) . ?
Rh9 C79 2.082(10) . ?
Rh9 C159 2.133(10) . ?
Rh9 C5 2.185(10) . ?
Rh5 O21 2.043(9) . ?
Rh5 O11 2.020(10) . ?
Rh5 N2 2.144(11) . ?
Rh5 C163 2.064(12) . ?
Rh5 C41 2.123(11) . ?
Rh5 C165 2.189(12) . ?
Rh5 C83 2.173(11) . ?
Rh5 C167 2.096(12) . ?
Rh11 O36 2.072(10) . ?
Rh11 O37 2.056(9) . ?
Rh11 N19 2.097(13) . ?
Rh11 C121 1.964(12) . ?
Rh11 C243 2.157(11) . ?
Rh11 C61 2.390(12) . ?
Rh11 C245 2.361(12) . ?
Rh11 C123 2.104(12) . ?
S1 O3 1.419(9) . ?
S1 O25 1.500(10) . ?
S1 O13 1.390(9) . ?
S1 C47 1.799(11) . ?
S4 O27 1.398(11) . ?
S4 C179 1.847(12) . ?
S4 O7 1.381(11) . ?
S4 O15 1.402(11) . ?
O1 C8 1.282(12) . ?
O4 C58 1.286(11) . ?
C1 C16 1.427(14) . ?
C1 C22 1.440(14) . ?
C1 O29 1.255(11) . ?
O6 C100 1.284(12) . ?
O8 C20 1.225(11) . ?
C4 C6 1.432(14) . ?
C4 O23 1.296(12) . ?
C4 C150 1.472(15) . ?
O10 C84 1.249(12) . ?
O12 C27 1.293(12) . ?
O14 C52 1.259(12) . ?
O16 C66 1.312(12) . ?
O18 C32 1.285(13) . ?
O20 C104 1.285(12) . ?
O20 C141 1.71(2) . ?
O22 C60 1.288(12) . ?
O24 C74 1.279(12) . ?
O26 C144 1.292(14) . ?
O28 C68 1.307(12) . ?
O30 C126 1.303(12) . ?
N1 N8 1.409(11) . ?
N1 C36 1.235(12) . ?
O32 C118 1.289(12) . ?
N4 C54 1.356(13) . ?
N4 C217 1.353(13) . ?
N6 C116 1.356(15) . ?
N6 C166 1.374(14) . ?
N8 C98 1.277(13) . ?
N10 C124 1.321(13) . ?
N10 C107 1.333(14) . ?
N12 C110 1.363(13) . ?
N12 C215 1.312(13) . ?
N14 N13 1.412(12) 3_577 ?
N14 C88 1.248(13) . ?
O34 C102 1.309(13) . ?
O36 C148 1.271(16) . ?
O37 C220 1.279(16) . ?
O19 C254 1.279(13) . ?
N16 C108 1.375(15) . ?
N16 C2 1.340(16) . ?
N18 C120 1.333(14) . ?
N18 C190 1.302(14) . ?
N20 C132 1.311(14) . ?
N20 C152 1.348(15) . ?
N5 C260 1.340(10) . ?
N5 C219 1.377(12) . ?
N22 N15 1.499(13) . ?
N22 C55 1.188(13) . ?
C6 C10 1.499(13) . ?
C6 C60 1.393(14) . ?
N23 N17 1.384(12) . ?
N23 C210 1.221(14) 3_467 ?
C8 C14 1.457(14) . ?
C8 C24 1.471(15) . ?
N3 C160 1.306(14) . ?
N3 C164 1.303(14) . ?
N13 C106 1.199(12) . ?
N7 C187 1.014(15) . ?
N7 N11 1.366(14) . ?
C10 C52 1.409(14) . ?
C10 C66 1.369(14) . ?
O21 C242 1.291(16) . ?
O11 C127 1.276(16) . ?
C12 C98 1.431(14) 3_467 ?
C12 C122 1.367(14) . ?
C12 C130 1.425(14) . ?
C14 H14 0.9500 . ?
C14 C213 1.306(14) . ?
N15 C136 1.249(13) . ?
C16 C76 1.486(14) . ?
C16 C104 1.404(15) . ?
C18 C64 1.361(16) . ?
C18 C106 1.444(15) . ?
C18 C231 1.425(16) . ?
C20 C26 1.452(13) . ?
C20 C30 1.463(13) . ?
C22 H22 0.9500 . ?
C22 C90 1.324(13) . ?
C24 C32 1.410(15) . ?
C24 C38 1.456(14) . ?
C26 H26 0.9500 . ?
C26 C211 1.288(13) . ?
C28 C30 1.441(14) . ?
C28 C58 1.410(13) . ?
C28 C100 1.422(14) . ?
C30 C84 1.456(13) . ?
N2 C67 1.353(16) . ?
N2 C139 1.284(16) . ?
C32 C128 1.389(16) . ?
C34 C36 1.415(14) . ?
C34 C112 1.404(15) . ?
C34 C214 1.387(15) . ?
C36 H36 0.9500 . ?
C38 C74 1.424(15) . ?
C38 C144 1.417(15) . ?
N17 C129 1.210(13) . ?
N9 C256 1.3900 . ?
N9 C48 1.3900 . ?
C256 H256 0.9500 . ?
C256 C42 1.3900 . ?
C42 H42 0.9500 . ?
C42 C44 1.3900 . ?
C44 C46 1.3900 . ?
C44 C187 1.526(11) . ?
C46 H46 0.9500 . ?
C46 C48 1.3900 . ?
C48 H48 0.9500 . ?
C50 H50 0.9500 . ?
C50 C60 1.427(14) . ?
C50 C80 1.308(14) . ?
C52 C140 1.461(16) . ?
C54 H54 0.9500 . ?
C54 C130 1.358(14) . ?
C56 H56 0.9500 . ?
C56 C9 1.371(16) . ?
C56 C27 1.435(17) . ?
C58 C211 1.462(13) . ?
C62 C86 1.368(14) . ?
C62 C88 1.469(14) . ?
C62 C92 1.354(14) . ?
C64 H64 0.9500 . ?
C64 C108 1.401(15) . ?
C66 C80 1.445(14) . ?
C68 C76 1.344(15) . ?
C68 C90 1.424(16) . ?
C70 H70 0.9500 . ?
C70 C190 1.424(16) . ?
C70 C53 1.340(15) . ?
C72 C114 1.519(15) . ?
C72 C126 1.373(16) . ?
C72 C27 1.407(16) . ?
C74 C213 1.439(15) . ?
N19 C155 1.295(18) . ?
N19 C87 1.368(19) . ?
C76 C102 1.453(16) . ?
C78 H78 0.9500 . ?
C78 C84 1.449(13) . ?
C78 C221 1.306(14) . ?
C80 H80 0.9500 . ?
C82 H82 0.9500 . ?
C82 C158 1.374(15) . ?
C82 C160 1.480(16) . ?
C86 H86 0.9500 . ?
C86 C215 1.444(15) . ?
C88 H88 0.9500 . ?
C90 H90 0.9500 . ?
C92 H92 0.9500 . ?
C92 C110 1.382(14) . ?
C94 C170 1.359(18) . ?
C94 C246 1.417(18) . ?
C94 C69 1.517(17) . ?
C96 H96 0.9500 . ?
C96 C124 1.414(15) . ?
C96 C196 1.386(16) . ?
C98 H98 0.9500 . ?
N24 C33 1.140(15) . ?
N24 N21 1.439(16) . ?
C100 C221 1.495(14) . ?
C102 C216 1.407(17) . ?
C104 C162 1.403(15) . ?
C106 H106 0.9500 . ?
C108 H108 0.9500 . ?
C110 H110 0.9500 . ?
C112 H112 0.9500 . ?
C112 C132 1.403(14) . ?
C114 C118 1.399(16) . ?
C114 C254 1.364(17) . ?
C116 H116 0.9500 . ?
C116 C131 1.377(15) . ?
C118 C7 1.459(17) . ?
C120 H120 0.9500 . ?
C120 C184 1.353(16) . ?
C122 H122 0.9500 . ?
C122 C217 1.374(15) . ?
C124 H124 0.9500 . ?
C126 C238 1.508(16) . ?
C128 H128 0.9500 . ?
C128 C154 1.314(17) . ?
C130 H130 0.9500 . ?
C132 H132 0.9500 . ?
C134 H134 0.9500 . ?
C134 C142 1.376(17) . ?
C134 C166 1.509(15) . ?
C136 H136 0.9500 . ?
C136 C53 1.474(15) . ?
C138 H13D 0.9800 . ?
C138 H13E 0.9800 . ?
C138 H13F 0.9800 . ?
C138 C173 1.447(19) . ?
C140 H140 0.9500 . ?
C140 C150 1.317(16) . ?
C142 C210 1.537(16) . ?
C142 C131 1.282(16) . ?
C144 C154 1.447(17) . ?
C146 C192 1.451(19) . ?
C146 C171 1.510(18) . ?
C146 C181 1.375(18) . ?
C148 C198 1.442(17) . ?
C148 C222 1.397(17) . ?
C150 H150 0.9500 . ?
C152 H152 0.9500 . ?
C152 C214 1.335(15) . ?
C154 H154 0.9500 . ?
C156 C222 1.448(18) . ?
C156 C242 1.419(17) . ?
C156 C127 1.439(17) . ?
C158 C17 1.320(15) . ?
C158 C55 1.539(16) 3_557 ?
C160 H160 0.9500 . ?
C162 H162 0.9500 . ?
C162 C216 1.301(16) . ?
C164 H164 0.9500 . ?
C164 C17 1.334(16) . ?
C166 H166 0.9500 . ?
C168 H16A 0.9800 . ?
C168 H16B 0.9800 . ?
C168 H16C 0.9800 . ?
C168 C29 1.496(18) . ?
C170 C200 1.478(17) . ?
C170 C175 1.467(19) . ?
C172 H172 0.9500 . ?
C172 C250 1.214(18) . ?
C172 C127 1.470(18) . ?
C174 C248 1.459(19) . ?
C174 C145 1.459(18) . ?
C174 C233 1.539(19) . ?
C176 C180 1.45(2) . ?
C176 C35 1.43(2) . ?
C176 C183 1.563(18) . ?
C178 C218 1.451(19) . ?
C178 C135 1.474(17) . ?
C178 C145 1.396(19) . ?
C180 C97 1.48(2) . ?
C180 C109 1.453(18) . ?
C182 H18G 0.9800 . ?
C182 H18H 0.9800 . ?
C182 H18I 0.9800 . ?
C182 C209 1.519(10) . ?
C184 H184 0.9500 . ?
C184 C53 1.300(15) . ?
C260 H260 0.9500 . ?
C260 C186 1.413(10) . ?
C188 C224 1.509(17) . ?
C188 C71 1.491(18) . ?
C188 C37 1.432(18) . ?
C190 H190 0.9500 . ?
C192 C212 1.419(19) . ?
C192 C49 1.56(2) . ?
C194 H194 0.9500 . ?
C194 C198 1.292(17) . ?
C194 C242 1.436(17) . ?
C196 C206 1.303(16) . ?
C196 C129 1.456(15) . ?
C198 H198 0.9500 . ?
C200 C89 1.508(18) . ?
C200 C111 1.429(19) . ?
C202 C65 1.295(19) . ?
C202 C57 1.54(2) . ?
C202 C229 1.225(19) . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 C252 1.56(2) . ?
C206 H206 0.9500 . ?
C206 C107 1.359(15) . ?
C208 H20A 0.9800 . ?
C208 H20B 0.9800 . ?
C208 H20C 0.9800 . ?
C208 C181 1.487(19) . ?
F1 C47 1.330(13) . ?
C212 C203 1.51(2) . ?
C212 C29 1.40(2) . ?
C214 H214 0.9500 . ?
C216 H216 0.9500 . ?
C218 C248 1.404(18) . ?
C218 C185 1.413(19) . ?
C220 C222 1.505(17) . ?
C220 C250 1.483(18) . ?
C224 H22D 0.9800 . ?
C224 H22E 0.9800 . ?
C224 H22F 0.9800 . ?
C226 C35 1.399(19) . ?
C226 C81 1.505(19) . ?
C226 C109 1.427(19) . ?
C228 C230 1.4200 . ?
C228 C236 1.4200 . ?
C228 C93 1.529(10) . ?
C230 C232 1.4200 . ?
C230 C117 1.536(11) . ?
C232 C234 1.4200 . ?
C232 C15 1.538(11) . ?
C234 C236 1.4200 . ?
C234 C239 1.529(10) . ?
C236 C241 1.527(11) . ?
C238 H238 0.9500 . ?
C238 C7 1.313(15) . ?
C240 C149 1.30(2) . ?
C240 C173 1.476(18) . ?
C240 C177 1.482(18) . ?
C244 H244 0.9500 . ?
C244 C139 1.474(19) . ?
C244 C227 1.393(18) . ?
C246 C23 1.499(19) . ?
C246 C111 1.477(18) . ?
C248 C147 1.570(18) . ?
C250 H250 0.9500 . ?
C252 C71 1.46(2) . ?
C252 C113 1.35(2) . ?
C254 C9 1.512(17) . ?
C2 H2 0.9500 . ?
C2 C231 1.332(16) . ?
C129 H129 0.9500 . ?
C65 H65 0.9500 . ?
C65 C155 1.53(2) . ?
C131 H131 0.9500 . ?
C33 H33 0.9500 . ?
C33 C227 1.535(5) . ?
C133 C173 1.366(19) . ?
C133 C11 1.431(18) . ?
C133 C99 1.36(2) . ?
C67 H67 0.9500 . ?
C67 C43 1.306(19) . ?
C135 H13A 0.9800 . ?
C135 H13B 0.9800 . ?
C135 H13C 0.9800 . ?
C17 H17 0.9500 . ?
C137 H13G 0.9800 . ?
C137 H13H 0.9800 . ?
C137 H13I 0.9800 . ?
C137 C71 1.48(2) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C139 H139 0.9500 . ?
C35 C115 1.48(2) . ?
C141 C145 1.90(3) . ?
F4 C179 1.360(15) . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C143 C111 1.499(18) . ?
C9 H9 0.9500 . ?
C145 C193 1.58(2) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C73 C105 1.526(10) . ?
C147 H14A 0.9800 . ?
C147 H14B 0.9800 . ?
C147 H14C 0.9800 . ?
C37 C225 1.452(19) . ?
C37 C113 1.393(19) . ?
C149 C85 1.53(2) . ?
C149 C99 1.49(2) . ?
C75 C151 1.4200 . ?
C75 C77 1.4200 . ?
C75 C205 1.530(10) . ?
C151 C19 1.4200 . ?
C151 C169 1.554(10) . ?
C19 C153 1.4200 . ?
C19 C161 1.504(10) . ?
C153 C77 1.4200 . ?
C153 C45 1.541(11) . ?
C77 C25 1.521(10) . ?
C155 H155 0.9500 . ?
C39 C157 1.4200 . ?
C39 C5 1.4200 . ?
C39 C189 1.525(10) . ?
C157 C79 1.4200 . ?
C157 C237 1.536(11) . ?
C79 C159 1.4200 . ?
C79 C251 1.516(11) . ?
C159 C5 1.4200 . ?
C159 C199 1.509(10) . ?
C5 C119 1.533(11) . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C163 C41 1.4200 . ?
C163 C167 1.4200 . ?
C163 C21 1.44(2) . ?
C41 C165 1.4200 . ?
C41 C59 1.61(2) . ?
C165 C83 1.4200 . ?
C165 C235 1.39(2) . ?
C83 C167 1.4200 . ?
C83 C195 1.55(2) . ?
C167 C3 1.499(18) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C169 H16G 0.9800 . ?
C169 H16H 0.9800 . ?
C169 H16I 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
N21 C57 1.281(17) 3_467 ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C43 H43 0.9500 . ?
C43 C227 1.239(18) . ?
F6 C47 1.313(14) . ?
C87 H87 0.9500 . ?
C87 C229 1.40(2) . ?
C175 H17G 0.9800 . ?
C175 H17H 0.9800 . ?
C175 H17I 0.9800 . ?
C11 H11D 0.9800 . ?
C11 H11E 0.9800 . ?
C11 H11F 0.9800 . ?
C177 H17A 0.9800 . ?
C177 H17B 0.9800 . ?
C177 H17C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
F8 C47 1.298(13) . ?
C179 F10 1.281(14) . ?
C179 F12 1.229(13) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C181 C29 1.394(19) . ?
C91 H91 0.9500 . ?
C91 N11 1.147(16) . ?
C91 C259 1.562(14) . ?
C183 H18J 0.9800 . ?
C183 H18K 0.9800 . ?
C183 H18L 0.9800 . ?
C23 H23M 0.9800 . ?
C23 H23N 0.9800 . ?
C23 H23O 0.9800 . ?
C185 H18A 0.9800 . ?
C185 H18B 0.9800 . ?
C185 H18C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C187 H187 0.9500 . ?
C189 H18D 0.9800 . ?
C189 H18E 0.9800 . ?
C189 H18F 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C95 C61 1.529(11) . ?
C191 H19G 0.9800 . ?
C191 H19H 0.9800 . ?
C191 H19I 0.9800 . ?
C191 C243 1.497(11) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C193 H19A 0.9800 . ?
C193 H19B 0.9800 . ?
C193 H19C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C195 H19J 0.9800 . ?
C195 H19K 0.9800 . ?
C195 H19L 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C197 H19M 0.9800 . ?
C197 H19N 0.9800 . ?
C197 H19O 0.9800 . ?
C197 C245 1.548(11) . ?
C99 C31 1.49(2) . ?
C199 H19D 0.9800 . ?
C199 H19E 0.9800 . ?
C199 H19F 0.9800 . ?
C25 H25D 0.9800 . ?
C25 H25E 0.9800 . ?
C25 H25F 0.9800 . ?
C201 H20J 0.9800 . ?
C201 H20K 0.9800 . ?
C201 H20L 0.9800 . ?
C201 C113 1.60(2) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C101 C13 1.532(11) . ?
C203 H20D 0.9800 . ?
C203 H20E 0.9800 . ?
C203 H20F 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C51 C121 1.532(11) . ?
C205 H20M 0.9800 . ?
C205 H20N 0.9800 . ?
C205 H20O 0.9800 . ?
C103 C207 1.4200 . ?
C103 C105 1.4200 . ?
C103 C247 1.527(11) . ?
C207 C13 1.4200 . ?
C207 C125 1.534(10) . ?
C13 C209 1.4200 . ?
C209 C105 1.4200 . ?
C211 H211 0.9500 . ?
C213 H213 0.9500 . ?
C107 H107 0.9500 . ?
C215 H215 0.9500 . ?
C217 H217 0.9500 . ?
C109 C223 1.503(18) . ?
C219 H219 0.9500 . ?
C219 C261 1.364(18) 3_577 ?
C55 H55 0.9500 . ?
C221 H221 0.9500 . ?
C223 H22A 0.9800 . ?
C223 H22B 0.9800 . ?
C223 H22C 0.9800 . ?
C7 H7 0.9500 . ?
C225 H22G 0.9800 . ?
C225 H22H 0.9800 . ?
C225 H22I 0.9800 . ?
C57 H57 0.9500 . ?
C229 H229 0.9500 . ?
C115 H11G 0.9800 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C231 H231 0.9500 . ?
C233 H23A 0.9800 . ?
C233 H23B 0.9800 . ?
C233 H23C 0.9800 . ?
C117 H11J 0.9800 . ?
C117 H11K 0.9800 . ?
C117 H11L 0.9800 . ?
C235 H23J 0.9800 . ?
C235 H23K 0.9800 . ?
C235 H23L 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C237 H23D 0.9800 . ?
C237 H23E 0.9800 . ?
C237 H23F 0.9800 . ?
C119 H11A 0.9800 . ?
C119 H11B 0.9800 . ?
C119 H11C 0.9800 . ?
C239 H23G 0.9800 . ?
C239 H23H 0.9800 . ?
C239 H23I 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C241 H24D 0.9800 . ?
C241 H24E 0.9800 . ?
C241 H24F 0.9800 . ?
C121 C243 1.4200 . ?
C121 C123 1.4200 . ?
C243 C61 1.4200 . ?
C61 C245 1.4200 . ?
C245 C123 1.4200 . ?
C123 C249 1.558(11) . ?
C247 H24A 0.9800 . ?
C247 H24B 0.9800 . ?
C247 H24C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C249 H24G 0.9800 . ?
C249 H24H 0.9800 . ?
C249 H24I 0.9800 . ?
C125 H12A 0.9800 . ?
C125 H12B 0.9800 . ?
C125 H12C 0.9800 . ?
S2 O31 1.439(11) . ?
S2 O2 1.421(11) . ?
S2 O33 1.439(11) . ?
S2 C253 1.815(14) . ?
F3 C253 1.290(16) . ?
F7 C253 1.305(16) . ?
F2 C253 1.350(16) . ?
C251 H25A 0.9800 . ?
C251 H25B 0.9800 . ?
C251 H25C 0.9800 . ?
S3 O17 1.445(10) . ?
S3 C63 1.831(12) . ?
S3 O35 1.317(10) . ?
S3 O9 1.491(11) . ?
F9 C63 1.321(15) . ?
F5 C63 1.343(15) . ?
F11 C63 1.328(15) . ?
S8 O43 1.218(11) . ?
S8 O50 1.441(11) . ?
S8 C262 1.842(14) . ?
S8 O47 1.603(12) . ?
S7 O46 1.437(13) . ?
S7 O44 1.409(13) . ?
S7 C258 1.801(13) . ?
S7 O53 1.383(14) . ?
F15 C262 1.315(16) . ?
F17 C258 1.319(15) . ?
F31 C262 1.237(16) . ?
F37 C258 1.346(16) . ?
C258 F51 1.330(16) . ?
C259 C186 1.377(13) 3_577 ?
C259 C261 1.318(18) . ?
C186 H186 0.9500 . ?
C261 H261 0.9500 . ?
C262 F104 1.341(16) . ?

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
O22 Rh1 N5 85.5(3) . . ?
O22 Rh1 O23 87.5(3) . . ?
O22 Rh1 C103 112.0(3) . . ?
O22 Rh1 C207 151.1(3) . . ?
O22 Rh1 C13 149.6(3) . . ?
O22 Rh1 C209 111.4(3) . . ?
O22 Rh1 C105 93.4(3) . . ?
N5 Rh1 C207 97.1(3) . . ?
N5 Rh1 C13 124.9(3) . . ?
N5 Rh1 C209 161.8(3) . . ?
N5 Rh1 C105 138.0(3) . . ?
O23 Rh1 N5 85.8(3) . . ?
O23 Rh1 C103 158.9(3) . . ?
O23 Rh1 C207 121.4(3) . . ?
O23 Rh1 C13 93.9(3) . . ?
O23 Rh1 C209 100.9(3) . . ?
O23 Rh1 C105 136.2(3) . . ?
C103 Rh1 N5 103.0(3) . . ?
C103 Rh1 C207 39.22(14) . . ?
C103 Rh1 C13 65.25(17) . . ?
C103 Rh1 C209 65.33(16) . . ?
C103 Rh1 C105 39.29(14) . . ?
C207 Rh1 C13 38.71(14) . . ?
C207 Rh1 C209 64.94(17) . . ?
C209 Rh1 C13 38.48(14) . . ?
C105 Rh1 C207 65.51(17) . . ?
C105 Rh1 C13 64.98(17) . . ?
C105 Rh1 C209 38.82(13) . . ?
O1 Rh4 O18 86.1(3) . . ?
O1 Rh4 N6 85.5(3) . . ?
O1 Rh4 C94 155.0(4) . . ?
O1 Rh4 C170 147.1(4) . . ?
O1 Rh4 C200 107.2(4) . . ?
O1 Rh4 C246 116.6(4) . . ?
O1 Rh4 C111 94.1(4) . . ?
O18 Rh4 N6 88.6(3) . . ?
O18 Rh4 C94 118.6(5) . . ?
O18 Rh4 C170 93.4(4) . . ?
O18 Rh4 C200 102.0(4) . . ?
O18 Rh4 C246 156.7(4) . . ?
O18 Rh4 C111 139.3(4) . . ?
N6 Rh4 C94 98.5(4) . . ?
N6 Rh4 C170 127.4(4) . . ?
N6 Rh4 C246 98.2(4) . . ?
N6 Rh4 C111 132.1(5) . . ?
C94 Rh4 C246 38.5(5) . . ?
C170 Rh4 C94 37.0(5) . . ?
C170 Rh4 C246 64.7(5) . . ?
C170 Rh4 C111 65.4(5) . . ?
C200 Rh4 N6 163.8(4) . . ?
C200 Rh4 C94 65.8(5) . . ?
C200 Rh4 C170 40.7(5) . . ?
C200 Rh4 C246 67.4(5) . . ?
C200 Rh4 C111 39.3(5) . . ?
C111 Rh4 C94 64.9(5) . . ?
C111 Rh4 C246 40.3(5) . . ?
O20 Rh6 N12 87.8(3) . . ?
O20 Rh6 C174 113.9(5) . . ?
O20 Rh6 C178 106.2(4) . . ?
O20 Rh6 C218 144.9(4) . . ?
O20 Rh6 C248 153.7(5) . . ?
O20 Rh6 C145 92.6(4) . . ?
N12 Rh6 C174 98.8(4) . . ?
N12 Rh6 C178 162.9(4) . . ?
N12 Rh6 C218 127.3(4) . . ?
N12 Rh6 C248 97.7(4) . . ?
N12 Rh6 C145 133.6(5) . . ?
C178 Rh6 C174 66.9(5) . . ?
C178 Rh6 C218 39.7(5) . . ?
C178 Rh6 C248 65.4(5) . . ?
C218 Rh6 C174 66.6(6) . . ?
C248 Rh6 C174 39.9(5) . . ?
C248 Rh6 C218 38.4(5) . . ?
C145 Rh6 C174 39.9(5) . . ?
C145 Rh6 C178 38.4(5) . . ?
C145 Rh6 C218 65.0(6) . . ?
C145 Rh6 C248 65.0(5) . . ?
O29 Rh6 O20 85.1(3) . . ?
O29 Rh6 N12 86.3(3) . . ?
O29 Rh6 C174 160.3(5) . . ?
O29 Rh6 C178 104.3(4) . . ?
O29 Rh6 C218 95.2(4) . . ?
O29 Rh6 C248 120.8(5) . . ?
O29 Rh6 C145 140.1(4) . . ?
O4 Rh8 N18 86.1(3) . . ?
O4 Rh8 C176 94.8(4) . . ?
O4 Rh8 C180 113.6(4) . . ?
O4 Rh8 C226 148.5(4) . . ?
O4 Rh8 C35 110.8(5) . . ?
O4 Rh8 C109 152.8(4) . . ?
O6 Rh8 O4 86.6(3) . . ?
O6 Rh8 N18 84.7(3) . . ?
O6 Rh8 C176 134.8(5) . . ?
O6 Rh8 C180 158.0(4) . . ?
O6 Rh8 C226 93.0(4) . . ?
O6 Rh8 C35 98.3(5) . . ?
O6 Rh8 C109 120.4(4) . . ?
N18 Rh8 C226 125.3(4) . . ?
N18 Rh8 C109 98.6(5) . . ?
C176 Rh8 N18 140.5(5) . . ?
C176 Rh8 C180 39.6(5) . . ?
C176 Rh8 C226 63.8(5) . . ?
C176 Rh8 C109 64.8(5) . . ?
C180 Rh8 N18 104.7(5) . . ?
C180 Rh8 C226 65.2(5) . . ?
C180 Rh8 C109 39.3(5) . . ?
C35 Rh8 N18 162.9(5) . . ?
C35 Rh8 C176 39.5(5) . . ?
C35 Rh8 C180 67.1(6) . . ?
C35 Rh8 C226 38.1(5) . . ?
C35 Rh8 C109 65.4(6) . . ?
C109 Rh8 C226 38.3(5) . . ?
O8 Rh10 N3 86.7(3) . . ?
O8 Rh10 C146 94.0(4) . . ?
O8 Rh10 C192 104.8(4) . . ?
O8 Rh10 C212 142.3(5) . . ?
O8 Rh10 C181 118.5(4) . . ?
O8 Rh10 C29 156.9(5) . . ?
O10 Rh10 O8 85.7(3) . . ?
O10 Rh10 N3 84.7(3) . . ?
O10 Rh10 C146 144.8(5) . . ?
O10 Rh10 C192 106.0(5) . . ?
O10 Rh10 C212 93.5(5) . . ?
O10 Rh10 C181 155.3(4) . . ?
O10 Rh10 C29 116.8(5) . . ?
N3 Rh10 C146 130.4(5) . . ?
C192 Rh10 N3 164.6(5) . . ?
C192 Rh10 C146 40.1(5) . . ?
C192 Rh10 C212 39.5(5) . . ?
C192 Rh10 C181 65.2(6) . . ?
C192 Rh10 C29 65.7(5) . . ?
C212 Rh10 N3 130.7(5) . . ?
C212 Rh10 C146 65.9(5) . . ?
C212 Rh10 C181 64.8(6) . . ?
C212 Rh10 C29 38.8(5) . . ?
C181 Rh10 N3 100.4(5) . . ?
C181 Rh10 C146 37.8(5) . . ?
C29 Rh10 N3 99.7(5) . . ?
C29 Rh10 C146 64.9(5) . . ?
C29 Rh10 C181 38.6(5) . . ?
O14 Rh12 N9 87.2(3) . . ?
O14 Rh12 C240 103.8(5) . . ?
O14 Rh12 C133 118.1(5) . . ?
O14 Rh12 C149 137.1(5) . . ?
O14 Rh12 C173 94.2(5) . . ?
O16 Rh12 O14 84.8(3) . . ?
O16 Rh12 N9 85.6(3) . . ?
O16 Rh12 C240 106.6(4) . . ?
O16 Rh12 C133 156.7(5) . . ?
O16 Rh12 C149 93.5(5) . . ?
O16 Rh12 C173 146.0(4) . . ?
O16 Rh12 C99 119.0(5) . . ?
N9 Rh12 C173 128.3(4) . . ?
C240 Rh12 N9 164.1(4) . . ?
C240 Rh12 C133 66.1(5) . . ?
C240 Rh12 C149 36.0(5) . . ?
C240 Rh12 C173 40.7(5) . . ?
C133 Rh12 N9 98.7(4) . . ?
C133 Rh12 C173 37.2(5) . . ?
C149 Rh12 N9 135.5(5) . . ?
C149 Rh12 C133 67.4(6) . . ?
C149 Rh12 C173 64.6(6) . . ?
C99 Rh12 O14 154.9(5) . . ?
C99 Rh12 N9 101.5(5) . . ?
C99 Rh12 C240 63.8(6) . . ?
C99 Rh12 C133 37.7(6) . . ?
C99 Rh12 C149 41.7(6) . . ?
C99 Rh12 C173 61.9(6) . . ?
O12 Rh3 O30 86.2(3) . . ?
O12 Rh3 N4 86.6(3) . . ?
O12 Rh3 C188 125.1(4) . . ?
O12 Rh3 C252 130.9(5) . . ?
O12 Rh3 C71 161.9(4) . . ?
O12 Rh3 C37 94.9(4) . . ?
O12 Rh3 C113 98.4(5) . . ?
O30 Rh3 N4 85.4(3) . . ?
O30 Rh3 C188 148.7(4) . . ?
O30 Rh3 C252 94.9(4) . . ?
O30 Rh3 C71 108.6(4) . . ?
O30 Rh3 C37 152.6(4) . . ?
O30 Rh3 C113 114.2(5) . . ?
N4 Rh3 C188 96.2(4) . . ?
N4 Rh3 C252 142.5(5) . . ?
N4 Rh3 C71 104.5(5) . . ?
N4 Rh3 C37 122.0(4) . . ?
C252 Rh3 C188 65.2(5) . . ?
C252 Rh3 C71 40.1(5) . . ?
C252 Rh3 C37 63.9(6) . . ?
C71 Rh3 C188 40.7(5) . . ?
C71 Rh3 C37 67.2(5) . . ?
C37 Rh3 C188 39.0(5) . . ?
C113 Rh3 N4 160.0(5) . . ?
C113 Rh3 C188 65.0(5) . . ?
C113 Rh3 C252 37.3(6) . . ?
C113 Rh3 C71 66.4(6) . . ?
C113 Rh3 C37 38.5(5) . . ?
O24 Rh7 O26 85.9(3) . . ?
O24 Rh7 N10 84.8(3) . . ?
O24 Rh7 C75 93.7(3) . . ?
O24 Rh7 C151 115.2(3) . . ?
O24 Rh7 C19 154.2(3) . . ?
O24 Rh7 C153 146.5(3) . . ?
O24 Rh7 C77 108.8(3) . . ?
O26 Rh7 N10 85.9(3) . . ?
O26 Rh7 C75 140.3(3) . . ?
O26 Rh7 C151 158.2(3) . . ?
O26 Rh7 C19 119.8(3) . . ?
O26 Rh7 C153 94.4(3) . . ?
O26 Rh7 C77 103.9(3) . . ?
N10 Rh7 C19 98.7(3) . . ?
N10 Rh7 C153 128.6(3) . . ?
N10 Rh7 C77 163.5(3) . . ?
C75 Rh7 N10 133.7(4) . . ?
C75 Rh7 C151 39.21(16) . . ?
C75 Rh7 C19 65.36(18) . . ?
C75 Rh7 C153 65.18(18) . . ?
C75 Rh7 C77 39.04(15) . . ?
C151 Rh7 N10 100.8(3) . . ?
C151 Rh7 C19 38.95(14) . . ?
C151 Rh7 C153 65.12(18) . . ?
C151 Rh7 C77 65.40(18) . . ?
C19 Rh7 C153 38.64(14) . . ?
C77 Rh7 C19 65.01(18) . . ?
C77 Rh7 C153 38.70(14) . . ?
O32 Rh2 O19 85.2(3) . . ?
O32 Rh2 N20 85.0(3) . . ?
O32 Rh2 C228 117.8(3) . . ?
O32 Rh2 C230 156.5(3) . . ?
O32 Rh2 C232 143.8(3) . . ?
O32 Rh2 C234 106.4(3) . . ?
O32 Rh2 C236 94.5(3) . . ?
O19 Rh2 N20 85.9(3) . . ?
O19 Rh2 C228 156.6(4) . . ?
O19 Rh2 C230 118.1(4) . . ?
O19 Rh2 C232 94.0(4) . . ?
O19 Rh2 C234 106.4(3) . . ?
O19 Rh2 C236 143.6(3) . . ?
N20 Rh2 C228 99.4(3) . . ?
N20 Rh2 C230 99.3(3) . . ?
N20 Rh2 C236 130.4(4) . . ?
C230 Rh2 C228 38.71(15) . . ?
C230 Rh2 C236 65.02(19) . . ?
C232 Rh2 N20 131.1(4) . . ?
C232 Rh2 C228 65.30(19) . . ?
C232 Rh2 C230 39.21(17) . . ?
C232 Rh2 C234 39.35(16) . . ?
C232 Rh2 C236 65.45(19) . . ?
C234 Rh2 N20 163.6(3) . . ?
C234 Rh2 C228 65.1(2) . . ?
C234 Rh2 C230 65.58(19) . . ?
C234 Rh2 C236 38.92(17) . . ?
C236 Rh2 C228 38.55(16) . . ?
O28 Rh9 N16 85.4(3) . . ?
O28 Rh9 C39 92.7(3) . . ?
O28 Rh9 C157 116.4(3) . . ?
O28 Rh9 C79 155.7(3) . . ?
O28 Rh9 C159 141.1(4) . . ?
O28 Rh9 C5 104.6(3) . . ?
O34 Rh9 O28 86.0(3) . . ?
O34 Rh9 N16 86.8(4) . . ?
O34 Rh9 C39 131.5(3) . . ?
O34 Rh9 C157 100.2(3) . . ?
O34 Rh9 C79 100.5(4) . . ?
O34 Rh9 C159 132.8(4) . . ?
O34 Rh9 C5 164.2(3) . . ?
N16 Rh9 C39 141.5(4) . . ?
N16 Rh9 C159 93.8(3) . . ?
N16 Rh9 C5 105.5(4) . . ?
C39 Rh9 C5 38.08(16) . . ?
C157 Rh9 N16 157.4(4) . . ?
C157 Rh9 C39 38.81(16) . . ?
C157 Rh9 C159 65.68(19) . . ?
C157 Rh9 C5 64.76(19) . . ?
C79 Rh9 N16 118.1(4) . . ?
C79 Rh9 C39 65.43(19) . . ?
C79 Rh9 C157 39.66(17) . . ?
C79 Rh9 C159 39.35(16) . . ?
C79 Rh9 C5 65.10(19) . . ?
C159 Rh9 C39 64.58(19) . . ?
C159 Rh9 C5 38.37(16) . . ?
O21 Rh5 N2 84.8(4) . . ?
O21 Rh5 C163 106.3(5) . . ?
O21 Rh5 C41 92.6(4) . . ?
O21 Rh5 C165 115.3(5) . . ?
O21 Rh5 C83 153.3(5) . . ?
O21 Rh5 C167 145.2(5) . . ?
O11 Rh5 O21 86.5(4) . . ?
O11 Rh5 N2 85.2(4) . . ?
O11 Rh5 C163 107.5(5) . . ?
O11 Rh5 C41 145.1(5) . . ?
O11 Rh5 C165 158.0(5) . . ?
O11 Rh5 C83 120.1(5) . . ?
O11 Rh5 C167 96.0(4) . . ?
N2 Rh5 C165 98.9(4) . . ?
N2 Rh5 C83 98.9(4) . . ?
C163 Rh5 N2 163.3(4) . . ?
C163 Rh5 C41 39.6(2) . . ?
C163 Rh5 C165 65.3(2) . . ?
C163 Rh5 C83 65.6(2) . . ?
C163 Rh5 C167 39.9(2) . . ?
C41 Rh5 N2 129.5(5) . . ?
C41 Rh5 C165 38.41(18) . . ?
C41 Rh5 C83 64.7(2) . . ?
C83 Rh5 C165 37.99(18) . . ?
C167 Rh5 N2 130.1(5) . . ?
C167 Rh5 C41 66.0(2) . . ?
C167 Rh5 C165 64.8(2) . . ?
C167 Rh5 C83 38.81(18) . . ?
O36 Rh11 N19 85.8(4) . . ?
O36 Rh11 C243 99.1(4) . . ?
O36 Rh11 C61 120.6(4) . . ?
O36 Rh11 C245 155.3(4) . . ?
O36 Rh11 C123 151.2(4) . . ?
O37 Rh11 O36 85.1(4) . . ?
O37 Rh11 N19 86.4(4) . . ?
O37 Rh11 C243 150.3(4) . . ?
O37 Rh11 C61 154.2(4) . . ?
O37 Rh11 C245 119.5(4) . . ?
O37 Rh11 C123 97.3(4) . . ?
N19 Rh11 C243 123.2(5) . . ?
N19 Rh11 C61 93.9(4) . . ?
N19 Rh11 C245 93.4(4) . . ?
N19 Rh11 C123 123.0(5) . . ?
C121 Rh11 O36 111.8(4) . . ?
C121 Rh11 O37 111.1(4) . . ?
C121 Rh11 N19 155.5(5) . . ?
C121 Rh11 C243 40.0(2) . . ?
C121 Rh11 C61 62.8(2) . . ?
C121 Rh11 C245 63.4(2) . . ?
C121 Rh11 C123 40.7(2) . . ?
C243 Rh11 C61 35.93(17) . . ?
C243 Rh11 C245 60.9(2) . . ?
C245 Rh11 C61 34.77(16) . . ?
C123 Rh11 C243 65.2(2) . . ?
C123 Rh11 C61 61.1(2) . . ?
C123 Rh11 C245 36.51(18) . . ?
O3 S1 O25 112.8(7) . . ?
O3 S1 C47 101.8(6) . . ?
O25 S1 C47 99.5(7) . . ?
O13 S1 O3 118.4(8) . . ?
O13 S1 O25 114.4(8) . . ?
O13 S1 C47 106.9(7) . . ?
O27 S4 C179 104.2(8) . . ?
O27 S4 O15 112.8(10) . . ?
O7 S4 O27 117.8(10) . . ?
O7 S4 C179 97.5(9) . . ?
O7 S4 O15 119.7(11) . . ?
O15 S4 C179 99.9(7) . . ?
C8 O1 Rh4 129.5(7) . . ?
C58 O4 Rh8 126.8(6) . . ?
C16 C1 C22 117.3(9) . . ?
O29 C1 C16 128.0(10) . . ?
O29 C1 C22 114.7(9) . . ?
C100 O6 Rh8 126.8(6) . . ?
C20 O8 Rh10 130.8(6) . . ?
C6 C4 C150 120.3(10) . . ?
O23 C4 C6 126.3(10) . . ?
O23 C4 C150 113.3(10) . . ?
C84 O10 Rh10 130.2(6) . . ?
C27 O12 Rh3 128.5(8) . . ?
C52 O14 Rh12 128.1(7) . . ?
C66 O16 Rh12 128.5(7) . . ?
C32 O18 Rh4 128.3(7) . . ?
C104 O20 Rh6 129.4(7) . . ?
C104 O20 C141 137.0(11) . . ?
C141 O20 Rh6 9.9(7) . . ?
C60 O22 Rh1 129.4(7) . . ?
C74 O24 Rh7 129.5(7) . . ?
C144 O26 Rh7 129.2(8) . . ?
C68 O28 Rh9 128.6(8) . . ?
C126 O30 Rh3 127.7(8) . . ?
C36 N1 N8 115.1(9) . . ?
C118 O32 Rh2 129.8(8) . . ?
C54 N4 Rh3 121.7(7) . . ?
C217 N4 Rh3 119.6(7) . . ?
C217 N4 C54 118.7(9) . . ?
C116 N6 Rh4 118.9(8) . . ?
C116 N6 C166 122.1(10) . . ?
C166 N6 Rh4 118.9(8) . . ?
C98 N8 N1 112.9(8) . . ?
C124 N10 Rh7 122.2(8) . . ?
C124 N10 C107 116.2(10) . . ?
C107 N10 Rh7 121.3(7) . . ?
C110 N12 Rh6 119.8(7) . . ?
C215 N12 Rh6 123.3(7) . . ?
C215 N12 C110 116.9(9) . . ?
C88 N14 N13 115.1(9) . 3_577 ?
C102 O34 Rh9 129.8(9) . . ?
C148 O36 Rh11 131.3(8) . . ?
C220 O37 Rh11 127.4(8) . . ?
C254 O19 Rh2 128.1(9) . . ?
C108 N16 Rh9 121.2(9) . . ?
C2 N16 Rh9 121.8(9) . . ?
C2 N16 C108 116.9(11) . . ?
C120 N18 Rh8 118.4(8) . . ?
C190 N18 Rh8 122.6(8) . . ?
C190 N18 C120 118.7(10) . . ?
C132 N20 Rh2 122.2(8) . . ?
C132 N20 C152 116.1(10) . . ?
C152 N20 Rh2 121.5(8) . . ?
C260 N5 Rh1 124.3(7) . . ?
C260 N5 C219 118.5(8) . . ?
C219 N5 Rh1 117.1(7) . . ?
C55 N22 N15 112.0(10) . . ?
C4 C6 C10 117.4(9) . . ?
C60 C6 C4 122.9(9) . . ?
C60 C6 C10 119.6(9) . . ?
C210 N23 N17 116.3(10) 3_467 . ?
O1 C8 C14 117.3(9) . . ?
O1 C8 C24 124.3(9) . . ?
C14 C8 C24 118.4(9) . . ?
C160 N3 Rh10 119.6(8) . . ?
C164 N3 Rh10 122.5(8) . . ?
C164 N3 C160 117.8(10) . . ?
C106 N13 N14 114.3(9) . 3_577 ?
C187 N7 N11 130.8(15) . . ?
C52 C10 C6 118.5(9) . . ?
C66 C10 C6 117.4(9) . . ?
C66 C10 C52 124.1(9) . . ?
C242 O21 Rh5 129.1(8) . . ?
C127 O11 Rh5 130.6(8) . . ?
C122 C12 C98 120.4(10) . 3_467 ?
C122 C12 C130 115.3(9) . . ?
C130 C12 C98 124.3(10) . 3_467 ?
C8 C14 H14 119.7 . . ?
C213 C14 C8 120.5(11) . . ?
C213 C14 H14 119.7 . . ?
C136 N15 N22 112.8(9) . . ?
C1 C16 C76 118.0(10) . . ?
C104 C16 C1 121.0(9) . . ?
C104 C16 C76 121.0(10) . . ?
C64 C18 C106 122.1(10) . . ?
C64 C18 C231 117.0(11) . . ?
C231 C18 C106 120.9(11) . . ?
O8 C20 C26 116.8(8) . . ?
O8 C20 C30 126.1(9) . . ?
C26 C20 C30 117.1(9) . . ?
C1 C22 H22 119.0 . . ?
C90 C22 C1 121.9(11) . . ?
C90 C22 H22 119.0 . . ?
C32 C24 C8 122.3(10) . . ?
C32 C24 C38 119.3(10) . . ?
C38 C24 C8 118.4(9) . . ?
C20 C26 H26 118.8 . . ?
C211 C26 C20 122.3(9) . . ?
C211 C26 H26 118.8 . . ?
C58 C28 C30 119.3(9) . . ?
C58 C28 C100 121.4(9) . . ?
C100 C28 C30 119.3(9) . . ?
C28 C30 C20 119.7(8) . . ?
C28 C30 C84 120.5(9) . . ?
C84 C30 C20 119.7(9) . . ?
C67 N2 Rh5 121.0(9) . . ?
C139 N2 Rh5 122.5(10) . . ?
C139 N2 C67 116.5(13) . . ?
O18 C32 C24 126.0(11) . . ?
O18 C32 C128 114.0(11) . . ?
C128 C32 C24 120.0(11) . . ?
C112 C34 C36 123.3(10) . . ?
C214 C34 C36 123.0(10) . . ?
C214 C34 C112 113.7(10) . . ?
N1 C36 C34 122.4(10) . . ?
N1 C36 H36 118.8 . . ?
C34 C36 H36 118.8 . . ?
C74 C38 C24 119.9(9) . . ?
C144 C38 C24 118.1(10) . . ?
C144 C38 C74 121.8(10) . . ?
C129 N17 N23 118.8(10) . . ?
C256 N9 Rh12 124.6(5) . . ?
C256 N9 C48 120.0 . . ?
C48 N9 Rh12 115.4(5) . . ?
N9 C256 H256 120.0 . . ?
N9 C256 C42 120.0 . . ?
C42 C256 H256 120.0 . . ?
C256 C42 H42 120.0 . . ?
C256 C42 C44 120.0 . . ?
C44 C42 H42 120.0 . . ?
C42 C44 C46 120.0 . . ?
C42 C44 C187 127.2(8) . . ?
C46 C44 C187 112.8(8) . . ?
C44 C46 H46 120.0 . . ?
C48 C46 C44 120.0 . . ?
C48 C46 H46 120.0 . . ?
N9 C48 H48 120.0 . . ?
C46 C48 N9 120.0 . . ?
C46 C48 H48 120.0 . . ?
C60 C50 H50 119.2 . . ?
C80 C50 H50 119.2 . . ?
C80 C50 C60 121.5(10) . . ?
O14 C52 C10 125.7(10) . . ?
O14 C52 C140 113.0(10) . . ?
C10 C52 C140 121.2(10) . . ?
N4 C54 H54 118.9 . . ?
N4 C54 C130 122.2(10) . . ?
C130 C54 H54 118.9 . . ?
C4 O23 Rh1 127.5(7) . . ?
C9 C56 H56 118.6 . . ?
C9 C56 C27 122.8(12) . . ?
C27 C56 H56 118.6 . . ?
O4 C58 C28 127.2(9) . . ?
O4 C58 C211 114.2(8) . . ?
C28 C58 C211 118.6(9) . . ?
O22 C60 C6 126.2(10) . . ?
O22 C60 C50 114.5(9) . . ?
C6 C60 C50 119.2(9) . . ?
C86 C62 C88 120.8(10) . . ?
C92 C62 C86 120.1(10) . . ?
C92 C62 C88 119.1(9) . . ?
C18 C64 H64 120.8 . . ?
C18 C64 C108 118.5(11) . . ?
C108 C64 H64 120.8 . . ?
O16 C66 C10 124.6(10) . . ?
O16 C66 C80 115.0(9) . . ?
C10 C66 C80 120.4(9) . . ?
O28 C68 C76 127.7(11) . . ?
O28 C68 C90 113.8(11) . . ?
C76 C68 C90 118.4(10) . . ?
C190 C70 H70 121.1 . . ?
C53 C70 H70 121.1 . . ?
C53 C70 C190 117.8(11) . . ?
C126 C72 C114 120.1(11) . . ?
C126 C72 C27 122.8(10) . . ?
C27 C72 C114 117.1(11) . . ?
O24 C74 C38 127.1(10) . . ?
O24 C74 C213 115.0(10) . . ?
C38 C74 C213 117.9(9) . . ?
C155 N19 Rh11 126.7(12) . . ?
C155 N19 C87 115.2(15) . . ?
C87 N19 Rh11 118.0(11) . . ?
C68 C76 C16 121.4(10) . . ?
C68 C76 C102 123.6(10) . . ?
C102 C76 C16 115.1(11) . . ?
C84 C78 H78 117.7 . . ?
C221 C78 H78 117.7 . . ?
C221 C78 C84 124.6(9) . . ?
C50 C80 C66 121.9(10) . . ?
C50 C80 H80 119.1 . . ?
C66 C80 H80 119.1 . . ?
C158 C82 H82 121.7 . . ?
C158 C82 C160 116.6(11) . . ?
C160 C82 H82 121.7 . . ?
O10 C84 C30 126.6(9) . . ?
O10 C84 C78 116.9(9) . . ?
C78 C84 C30 116.5(9) . . ?
C62 C86 H86 121.0 . . ?
C62 C86 C215 117.9(10) . . ?
C215 C86 H86 121.0 . . ?
N14 C88 C62 122.2(10) . . ?
N14 C88 H88 118.9 . . ?
C62 C88 H88 118.9 . . ?
C22 C90 C68 122.8(11) . . ?
C22 C90 H90 118.6 . . ?
C68 C90 H90 118.6 . . ?
C62 C92 H92 120.6 . . ?
C62 C92 C110 118.8(10) . . ?
C110 C92 H92 120.6 . . ?
C170 C94 Rh4 71.2(8) . . ?
C170 C94 C246 111.6(12) . . ?
C170 C94 C69 122.7(14) . . ?
C246 C94 Rh4 70.9(7) . . ?
C246 C94 C69 125.6(14) . . ?
C69 C94 Rh4 123.4(9) . . ?
C124 C96 H96 119.8 . . ?
C196 C96 H96 119.8 . . ?
C196 C96 C124 120.5(11) . . ?
N8 C98 C12 122.0(9) . 3_467 ?
N8 C98 H98 119.0 . . ?
C12 C98 H98 119.0 3_467 . ?
C33 N24 N21 109.7(12) . . ?
O6 C100 C28 127.4(9) . . ?
O6 C100 C221 113.7(9) . . ?
C28 C100 C221 118.9(10) . . ?
O34 C102 C76 123.7(12) . . ?
O34 C102 C216 115.7(11) . . ?
C216 C102 C76 120.6(11) . . ?
O20 C104 C16 125.6(10) . . ?
O20 C104 C162 117.5(10) . . ?
C162 C104 C16 116.9(10) . . ?
N13 C106 C18 124.4(11) . . ?
N13 C106 H106 117.8 . . ?
C18 C106 H106 117.8 . . ?
N16 C108 C64 123.2(12) . . ?
N16 C108 H108 118.4 . . ?
C64 C108 H108 118.4 . . ?
N12 C110 C92 123.7(10) . . ?
N12 C110 H110 118.1 . . ?
C92 C110 H110 118.1 . . ?
C34 C112 H112 119.5 . . ?
C132 C112 C34 121.0(11) . . ?
C132 C112 H112 119.5 . . ?
C118 C114 C72 117.2(11) . . ?
C254 C114 C72 120.4(11) . . ?
C254 C114 C118 122.3(11) . . ?
N6 C116 H116 119.2 . . ?
N6 C116 C131 121.6(12) . . ?
C131 C116 H116 119.2 . . ?
O32 C118 C114 125.4(12) . . ?
O32 C118 C7 114.6(11) . . ?
C114 C118 C7 119.9(10) . . ?
N18 C120 H120 119.3 . . ?
N18 C120 C184 121.5(11) . . ?
C184 C120 H120 119.3 . . ?
C12 C122 H122 118.5 . . ?
C12 C122 C217 123.1(10) . . ?
C217 C122 H122 118.5 . . ?
N10 C124 C96 120.9(11) . . ?
N10 C124 H124 119.5 . . ?
C96 C124 H124 119.5 . . ?
O30 C126 C72 127.5(11) . . ?
O30 C126 C238 112.3(11) . . ?
C72 C126 C238 120.2(10) . . ?
C32 C128 H128 119.0 . . ?
C154 C128 C32 121.9(12) . . ?
C154 C128 H128 119.0 . . ?
C12 C130 H130 119.8 . . ?
C54 C130 C12 120.4(10) . . ?
C54 C130 H130 119.8 . . ?
N20 C132 C112 122.6(11) . . ?
N20 C132 H132 118.7 . . ?
C112 C132 H132 118.7 . . ?
C142 C134 H134 120.4 . . ?
C142 C134 C166 119.1(11) . . ?
C166 C134 H134 120.4 . . ?
N15 C136 H136 119.2 . . ?
N15 C136 C53 121.7(10) . . ?
C53 C136 H136 119.2 . . ?
H13D C138 H13E 109.5 . . ?
H13D C138 H13F 109.5 . . ?
H13E C138 H13F 109.5 . . ?
C173 C138 H13D 109.5 . . ?
C173 C138 H13E 109.5 . . ?
C173 C138 H13F 109.5 . . ?
C52 C140 H140 119.7 . . ?
C150 C140 C52 120.7(11) . . ?
C150 C140 H140 119.7 . . ?
C134 C142 C210 117.7(11) . . ?
C131 C142 C134 122.4(12) . . ?
C131 C142 C210 119.8(12) . . ?
O26 C144 C38 125.8(12) . . ?
O26 C144 C154 115.6(11) . . ?
C38 C144 C154 118.5(11) . . ?
C192 C146 Rh10 68.5(7) . . ?
C192 C146 C171 125.0(14) . . ?
C171 C146 Rh10 124.3(9) . . ?
C181 C146 Rh10 70.3(8) . . ?
C181 C146 C192 106.6(13) . . ?
C181 C146 C171 128.3(15) . . ?
O36 C148 C198 117.2(12) . . ?
O36 C148 C222 126.3(13) . . ?
C222 C148 C198 116.4(13) . . ?
C4 C150 H150 119.3 . . ?
C140 C150 C4 121.4(11) . . ?
C140 C150 H150 119.3 . . ?
N20 C152 H152 117.6 . . ?
C214 C152 N20 124.7(12) . . ?
C214 C152 H152 117.6 . . ?
C128 C154 C144 121.9(12) . . ?
C128 C154 H154 119.1 . . ?
C144 C154 H154 119.1 . . ?
C242 C156 C222 118.1(12) . . ?
C242 C156 C127 120.4(13) . . ?
C127 C156 C222 121.5(12) . . ?
C82 C158 C55 117.8(10) . 3_557 ?
C17 C158 C82 121.4(12) . . ?
C17 C158 C55 120.8(11) . 3_557 ?
N3 C160 C82 119.2(11) . . ?
N3 C160 H160 120.4 . . ?
C82 C160 H160 120.4 . . ?
C104 C162 H162 117.3 . . ?
C216 C162 C104 125.4(13) . . ?
C216 C162 H162 117.3 . . ?
N3 C164 H164 116.1 . . ?
N3 C164 C17 127.8(12) . . ?
C17 C164 H164 116.1 . . ?
N6 C166 C134 114.0(11) . . ?
N6 C166 H166 123.0 . . ?
C134 C166 H166 123.0 . . ?
H16A C168 H16B 109.5 . . ?
H16A C168 H16C 109.5 . . ?
H16B C168 H16C 109.5 . . ?
C29 C168 H16A 109.5 . . ?
C29 C168 H16B 109.5 . . ?
C29 C168 H16C 109.5 . . ?
C94 C170 Rh4 71.8(7) . . ?
C94 C170 C200 109.1(12) . . ?
C94 C170 C175 126.9(13) . . ?
C200 C170 Rh4 68.7(6) . . ?
C175 C170 Rh4 121.3(10) . . ?
C175 C170 C200 123.9(14) . . ?
C250 C172 H172 116.7 . . ?
C250 C172 C127 126.5(14) . . ?
C127 C172 H172 116.7 . . ?
C248 C174 Rh6 68.9(7) . . ?
C248 C174 C233 130.7(13) . . ?
C145 C174 Rh6 68.8(7) . . ?
C145 C174 C248 102.9(12) . . ?
C145 C174 C233 126.4(14) . . ?
C233 C174 Rh6 125.1(10) . . ?
C180 C176 Rh8 71.4(8) . . ?
C180 C176 C183 123.9(15) . . ?
C35 C176 Rh8 69.6(8) . . ?
C35 C176 C180 110.0(13) . . ?
C35 C176 C183 125.8(15) . . ?
C183 C176 Rh8 121.0(10) . . ?
C218 C178 Rh6 71.1(7) . . ?
C218 C178 C135 124.4(14) . . ?
C135 C178 Rh6 128.6(10) . . ?
C145 C178 Rh6 70.7(8) . . ?
C145 C178 C218 107.4(12) . . ?
C145 C178 C135 127.8(14) . . ?
C176 C180 Rh8 69.0(8) . . ?
C176 C180 C97 132.7(14) . . ?
C176 C180 C109 104.9(13) . . ?
C97 C180 Rh8 128.2(11) . . ?
C109 C180 Rh8 71.0(8) . . ?
C109 C180 C97 122.1(14) . . ?
H18G C182 H18H 109.5 . . ?
H18G C182 H18I 109.5 . . ?
H18H C182 H18I 109.5 . . ?
C209 C182 H18G 109.5 . . ?
C209 C182 H18H 109.5 . . ?
C209 C182 H18I 109.5 . . ?
C120 C184 H184 119.7 . . ?
C53 C184 C120 120.5(11) . . ?
C53 C184 H184 119.7 . . ?
N5 C260 H260 119.9 . . ?
N5 C260 C186 120.2(9) . . ?
C186 C260 H260 119.9 . . ?
C224 C188 Rh3 124.9(8) . . ?
C71 C188 Rh3 69.2(7) . . ?
C71 C188 C224 125.9(13) . . ?
C37 C188 Rh3 70.2(7) . . ?
C37 C188 C224 125.9(13) . . ?
C37 C188 C71 108.1(12) . . ?
N18 C190 C70 120.7(11) . . ?
N18 C190 H190 119.6 . . ?
C70 C190 H190 119.6 . . ?
C146 C192 Rh10 71.4(7) . . ?
C146 C192 C49 126.3(14) . . ?
C212 C192 Rh10 70.8(8) . . ?
C212 C192 C146 107.0(13) . . ?
C212 C192 C49 126.6(15) . . ?
C49 C192 Rh10 125.1(10) . . ?
C198 C194 H194 118.0 . . ?
C198 C194 C242 124.0(13) . . ?
C242 C194 H194 118.0 . . ?
C96 C196 C129 124.4(11) . . ?
C206 C196 C96 116.3(11) . . ?
C206 C196 C129 119.2(12) . . ?
C148 C198 H198 119.0 . . ?
C194 C198 C148 122.1(13) . . ?
C194 C198 H198 119.0 . . ?
C170 C200 Rh4 70.6(6) . . ?
C170 C200 C89 125.8(13) . . ?
C89 C200 Rh4 125.6(9) . . ?
C111 C200 Rh4 71.4(7) . . ?
C111 C200 C170 105.2(12) . . ?
C111 C200 C89 128.9(13) . . ?
C65 C202 C57 111.4(15) . . ?
C229 C202 C65 131.4(19) . . ?
C229 C202 C57 116.7(16) . . ?
H20G C204 H20H 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C252 C204 H20G 109.5 . . ?
C252 C204 H20H 109.5 . . ?
C252 C204 H20I 109.5 . . ?
C196 C206 H206 119.0 . . ?
C196 C206 C107 121.9(13) . . ?
C107 C206 H206 119.0 . . ?
H20A C208 H20B 109.5 . . ?
H20A C208 H20C 109.5 . . ?
H20B C208 H20C 109.5 . . ?
C181 C208 H20A 109.5 . . ?
C181 C208 H20B 109.5 . . ?
C181 C208 H20C 109.5 . . ?
N23 C210 C142 123.3(12) 3_467 . ?
C192 C212 Rh10 69.7(8) . . ?
C192 C212 C203 124.3(15) . . ?
C203 C212 Rh10 123.4(10) . . ?
C29 C212 Rh10 70.7(8) . . ?
C29 C212 C192 107.9(14) . . ?
C29 C212 C203 127.8(15) . . ?
C34 C214 H214 119.1 . . ?
C152 C214 C34 121.8(11) . . ?
C152 C214 H214 119.1 . . ?
C102 C216 H216 119.8 . . ?
C162 C216 C102 120.4(12) . . ?
C162 C216 H216 119.8 . . ?
C178 C218 Rh6 69.2(8) . . ?
C248 C218 Rh6 69.8(8) . . ?
C248 C218 C178 107.0(13) . . ?
C248 C218 C185 126.7(14) . . ?
C185 C218 Rh6 124.3(10) . . ?
C185 C218 C178 126.2(13) . . ?
O37 C220 C222 127.9(12) . . ?
O37 C220 C250 118.1(12) . . ?
C250 C220 C222 113.9(13) . . ?
C148 C222 C156 122.2(12) . . ?
C148 C222 C220 118.9(13) . . ?
C156 C222 C220 118.9(11) . . ?
C188 C224 H22D 109.5 . . ?
C188 C224 H22E 109.5 . . ?
C188 C224 H22F 109.5 . . ?
H22D C224 H22E 109.5 . . ?
H22D C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
C35 C226 Rh8 67.9(8) . . ?
C35 C226 C81 126.4(14) . . ?
C35 C226 C109 109.5(13) . . ?
C81 C226 Rh8 121.8(10) . . ?
C109 C226 Rh8 70.4(8) . . ?
C109 C226 C81 123.6(14) . . ?
C230 C228 Rh2 69.6(4) . . ?
C230 C228 C236 108.0 . . ?
C230 C228 C93 130.0(8) . . ?
C236 C228 Rh2 70.4(4) . . ?
C236 C228 C93 122.0(8) . . ?
C93 C228 Rh2 127.4(8) . . ?
C228 C230 Rh2 71.7(4) . . ?
C228 C230 C232 108.0 . . ?
C228 C230 C117 126.2(8) . . ?
C232 C230 Rh2 69.4(4) . . ?
C232 C230 C117 125.8(8) . . ?
C117 C230 Rh2 125.4(9) . . ?
C230 C232 Rh2 71.4(4) . . ?
C230 C232 C234 108.0 . . ?
C230 C232 C15 125.2(8) . . ?
C234 C232 Rh2 70.8(4) . . ?
C234 C232 C15 126.8(8) . . ?
C15 C232 Rh2 124.8(10) . . ?
C232 C234 Rh2 69.9(4) . . ?
C232 C234 C239 128.0(9) . . ?
C236 C234 Rh2 71.8(4) . . ?
C236 C234 C232 108.0 . . ?
C236 C234 C239 123.9(9) . . ?
C239 C234 Rh2 127.1(9) . . ?
C228 C236 Rh2 71.0(4) . . ?
C228 C236 C241 123.3(8) . . ?
C234 C236 Rh2 69.3(4) . . ?
C234 C236 C228 108.0 . . ?
C234 C236 C241 128.5(8) . . ?
C241 C236 Rh2 121.1(9) . . ?
C126 C238 H238 120.8 . . ?
C7 C238 C126 118.4(12) . . ?
C7 C238 H238 120.8 . . ?
C149 C240 Rh12 73.6(9) . . ?
C149 C240 C173 110.6(14) . . ?
C149 C240 C177 122.1(14) . . ?
C173 C240 Rh12 71.8(7) . . ?
C173 C240 C177 126.8(14) . . ?
C177 C240 Rh12 128.2(10) . . ?
O21 C242 C156 126.8(12) . . ?
O21 C242 C194 116.1(12) . . ?
C156 C242 C194 117.1(13) . . ?
C139 C244 H244 122.6 . . ?
C227 C244 H244 122.6 . . ?
C227 C244 C139 114.9(13) . . ?
C94 C246 Rh4 70.6(8) . . ?
C94 C246 C23 130.4(13) . . ?
C94 C246 C111 105.2(12) . . ?
C23 C246 Rh4 128.2(9) . . ?
C111 C246 Rh4 69.4(7) . . ?
C111 C246 C23 124.2(13) . . ?
C174 C248 Rh6 71.3(8) . . ?
C174 C248 C147 121.1(13) . . ?
C218 C248 Rh6 71.8(8) . . ?
C218 C248 C174 111.2(12) . . ?
C218 C248 C147 127.6(14) . . ?
C147 C248 Rh6 127.2(9) . . ?
C172 C250 C220 124.5(14) . . ?
C172 C250 H250 117.8 . . ?
C220 C250 H250 117.8 . . ?
C204 C252 Rh3 123.0(9) . . ?
C71 C252 Rh3 70.3(7) . . ?
C71 C252 C204 119.9(15) . . ?
C113 C252 Rh3 69.2(8) . . ?
C113 C252 C204 129.4(16) . . ?
C113 C252 C71 110.5(13) . . ?
O19 C254 C114 127.4(12) . . ?
O19 C254 C9 112.1(12) . . ?
C114 C254 C9 120.3(11) . . ?
O11 C127 C156 126.3(13) . . ?
O11 C127 C172 119.2(12) . . ?
C156 C127 C172 114.4(13) . . ?
N16 C2 H2 118.8 . . ?
C231 C2 N16 122.4(13) . . ?
C231 C2 H2 118.8 . . ?
N17 C129 C196 122.3(12) . . ?
N17 C129 H129 118.9 . . ?
C196 C129 H129 118.9 . . ?
C202 C65 H65 122.7 . . ?
C202 C65 C155 114.7(15) . . ?
C155 C65 H65 122.7 . . ?
C116 C131 H131 119.8 . . ?
C142 C131 C116 120.4(13) . . ?
C142 C131 H131 119.8 . . ?
N24 C33 H33 119.6 . . ?
N24 C33 C227 120.8(14) . . ?
C227 C33 H33 119.6 . . ?
C173 C133 Rh12 72.1(8) . . ?
C173 C133 C11 130.0(16) . . ?
C11 C133 Rh12 128.0(10) . . ?
C99 C133 Rh12 68.1(8) . . ?
C99 C133 C173 105.5(13) . . ?
C99 C133 C11 124.3(16) . . ?
N2 C67 H67 117.7 . . ?
C43 C67 N2 124.7(15) . . ?
C43 C67 H67 117.7 . . ?
C178 C135 H13A 109.5 . . ?
C178 C135 H13B 109.5 . . ?
C178 C135 H13C 109.5 . . ?
H13A C135 H13B 109.5 . . ?
H13A C135 H13C 109.5 . . ?
H13B C135 H13C 109.5 . . ?
C158 C17 C164 117.0(12) . . ?
C158 C17 H17 121.5 . . ?
C164 C17 H17 121.5 . . ?
H13G C137 H13H 109.5 . . ?
H13G C137 H13I 109.5 . . ?
H13H C137 H13I 109.5 . . ?
C71 C137 H13G 109.5 . . ?
C71 C137 H13H 109.5 . . ?
C71 C137 H13I 109.5 . . ?
C94 C69 H69A 109.5 . . ?
C94 C69 H69B 109.5 . . ?
C94 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N2 C139 C244 121.0(14) . . ?
N2 C139 H139 119.5 . . ?
C244 C139 H139 119.5 . . ?
C176 C35 Rh8 70.9(8) . . ?
C176 C35 C115 125.3(15) . . ?
C226 C35 Rh8 74.0(8) . . ?
C226 C35 C176 107.1(13) . . ?
C226 C35 C115 127.5(16) . . ?
C115 C35 Rh8 123.0(11) . . ?
O20 C141 C145 113.7(11) . . ?
C188 C71 Rh3 70.2(7) . . ?
C252 C71 Rh3 69.6(8) . . ?
C252 C71 C188 102.7(13) . . ?
C252 C71 C137 134.6(15) . . ?
C137 C71 Rh3 126.1(9) . . ?
C137 C71 C188 122.6(14) . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C111 C143 H14D 109.5 . . ?
C111 C143 H14E 109.5 . . ?
C111 C143 H14F 109.5 . . ?
C56 C9 C254 117.7(12) . . ?
C56 C9 H9 121.2 . . ?
C254 C9 H9 121.2 . . ?
C174 C145 Rh6 71.3(7) . . ?
C174 C145 C141 76.2(10) . . ?
C174 C145 C193 120.9(14) . . ?
C178 C145 Rh6 70.9(8) . . ?
C178 C145 C174 111.4(13) . . ?
C178 C145 C141 78.4(11) . . ?
C178 C145 C193 127.6(13) . . ?
C141 C145 Rh6 12.2(6) . . ?
C193 C145 Rh6 121.4(10) . . ?
C193 C145 C141 109.2(12) . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C105 C73 H73A 109.5 . . ?
C105 C73 H73B 109.5 . . ?
C105 C73 H73C 109.5 . . ?
C248 C147 H14A 109.5 . . ?
C248 C147 H14B 109.5 . . ?
C248 C147 H14C 109.5 . . ?
H14A C147 H14B 109.5 . . ?
H14A C147 H14C 109.5 . . ?
H14B C147 H14C 109.5 . . ?
C188 C37 Rh3 70.8(7) . . ?
C188 C37 C225 126.8(14) . . ?
C225 C37 Rh3 126.5(10) . . ?
C113 C37 Rh3 68.1(7) . . ?
C113 C37 C188 107.0(13) . . ?
C113 C37 C225 126.2(14) . . ?
C240 C149 Rh12 70.4(9) . . ?
C240 C149 C85 132.3(16) . . ?
C240 C149 C99 103.2(14) . . ?
C85 C149 Rh12 119.4(11) . . ?
C99 C149 Rh12 66.5(8) . . ?
C99 C149 C85 123.9(16) . . ?
C151 C75 Rh7 70.5(3) . . ?
C151 C75 C205 125.4(7) . . ?
C77 C75 Rh7 71.3(4) . . ?
C77 C75 C151 108.0 . . ?
C77 C75 C205 126.5(8) . . ?
C205 C75 Rh7 122.5(8) . . ?
C75 C151 Rh7 70.3(3) . . ?
C75 C151 C169 127.3(7) . . ?
C19 C151 Rh7 71.4(4) . . ?
C19 C151 C75 108.0 . . ?
C19 C151 C169 124.7(7) . . ?
C169 C151 Rh7 123.5(8) . . ?
C151 C19 Rh7 69.7(4) . . ?
C151 C19 C161 125.5(8) . . ?
C153 C19 Rh7 71.1(4) . . ?
C153 C19 C151 108.0 . . ?
C153 C19 C161 126.5(8) . . ?
C161 C19 Rh7 125.2(8) . . ?
C19 C153 Rh7 70.3(3) . . ?
C19 C153 C77 108.0 . . ?
C19 C153 C45 125.9(7) . . ?
C77 C153 Rh7 70.0(3) . . ?
C77 C153 C45 125.8(7) . . ?
C45 C153 Rh7 119.9(9) . . ?
C75 C77 Rh7 69.7(4) . . ?
C75 C77 C153 108.0 . . ?
C75 C77 C25 128.1(7) . . ?
C153 C77 Rh7 71.3(4) . . ?
C153 C77 C25 123.9(8) . . ?
C25 C77 Rh7 123.6(8) . . ?
N19 C155 C65 118.3(15) . . ?
N19 C155 H155 120.9 . . ?
C65 C155 H155 120.9 . . ?
C157 C39 Rh9 68.2(4) . . ?
C157 C39 C189 126.3(8) . . ?
C5 C39 Rh9 71.6(4) . . ?
C5 C39 C157 108.0 . . ?
C5 C39 C189 125.7(8) . . ?
C189 C39 Rh9 124.5(9) . . ?
C39 C157 Rh9 73.0(4) . . ?
C39 C157 C237 126.2(8) . . ?
C79 C157 Rh9 69.3(4) . . ?
C79 C157 C39 108.0 . . ?
C79 C157 C237 125.8(8) . . ?
C237 C157 Rh9 123.1(9) . . ?
C157 C79 Rh9 71.0(4) . . ?
C157 C79 C159 108.0 . . ?
C157 C79 C251 123.6(8) . . ?
C159 C79 Rh9 72.3(4) . . ?
C159 C79 C251 128.4(8) . . ?
C251 C79 Rh9 122.0(9) . . ?
C79 C159 Rh9 68.4(4) . . ?
C79 C159 C199 128.4(8) . . ?
C5 C159 Rh9 72.8(4) . . ?
C5 C159 C79 108.0 . . ?
C5 C159 C199 123.3(8) . . ?
C199 C159 Rh9 128.6(9) . . ?
C39 C5 Rh9 70.3(4) . . ?
C39 C5 C119 126.2(8) . . ?
C159 C5 Rh9 68.8(4) . . ?
C159 C5 C39 108.0 . . ?
C159 C5 C119 125.7(8) . . ?
C119 C5 Rh9 124.5(9) . . ?
C19 C161 H16D 109.5 . . ?
C19 C161 H16E 109.5 . . ?
C19 C161 H16F 109.5 . . ?
H16D C161 H16E 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
C226 C81 H81A 109.5 . . ?
C226 C81 H81B 109.5 . . ?
C226 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C41 C163 Rh5 72.4(5) . . ?
C41 C163 C167 108.0 . . ?
C41 C163 C21 131.5(15) . . ?
C167 C163 Rh5 71.2(5) . . ?
C167 C163 C21 120.5(15) . . ?
C21 C163 Rh5 122.4(12) . . ?
C163 C41 Rh5 67.9(5) . . ?
C163 C41 C165 108.0 . . ?
C163 C41 C59 112.2(14) . . ?
C165 C41 Rh5 73.3(5) . . ?
C165 C41 C59 139.8(14) . . ?
C59 C41 Rh5 120.6(11) . . ?
C41 C165 Rh5 68.3(5) . . ?
C83 C165 Rh5 70.4(4) . . ?
C83 C165 C41 108.0 . . ?
C235 C165 Rh5 123.1(11) . . ?
C235 C165 C41 129.3(15) . . ?
C235 C165 C83 122.5(15) . . ?
C165 C83 Rh5 71.6(4) . . ?
C165 C83 C167 108.0 . . ?
C165 C83 C195 121.8(13) . . ?
C167 C83 Rh5 67.6(5) . . ?
C167 C83 C195 130.1(13) . . ?
C195 C83 Rh5 127.6(9) . . ?
C163 C167 Rh5 68.8(5) . . ?
C163 C167 C83 108.0 . . ?
C163 C167 C3 127.5(14) . . ?
C83 C167 Rh5 73.5(5) . . ?
C83 C167 C3 124.4(14) . . ?
C3 C167 Rh5 124.5(10) . . ?
C163 C21 H21A 109.5 . . ?
C163 C21 H21B 109.5 . . ?
C163 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C151 C169 H16G 109.5 . . ?
C151 C169 H16H 109.5 . . ?
C151 C169 H16I 109.5 . . ?
H16G C169 H16H 109.5 . . ?
H16G C169 H16I 109.5 . . ?
H16H C169 H16I 109.5 . . ?
C149 C85 H85A 109.5 . . ?
C149 C85 H85B 109.5 . . ?
C149 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C57 N21 N24 116.9(12) 3_467 . ?
C146 C171 H17D 109.5 . . ?
C146 C171 H17E 109.5 . . ?
C146 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C67 C43 H43 119.2 . . ?
C227 C43 C67 121.7(16) . . ?
C227 C43 H43 119.2 . . ?
C138 C173 Rh12 121.1(10) . . ?
C138 C173 C240 125.2(14) . . ?
C240 C173 Rh12 67.6(7) . . ?
C133 C173 Rh12 70.7(8) . . ?
C133 C173 C138 126.0(13) . . ?
C133 C173 C240 108.3(13) . . ?
N19 C87 H87 115.8 . . ?
N19 C87 C229 128.5(17) . . ?
C229 C87 H87 115.8 . . ?
C170 C175 H17G 109.5 . . ?
C170 C175 H17H 109.5 . . ?
C170 C175 H17I 109.5 . . ?
H17G C175 H17H 109.5 . . ?
H17G C175 H17I 109.5 . . ?
H17H C175 H17I 109.5 . . ?
C133 C11 H11D 109.5 . . ?
C133 C11 H11E 109.5 . . ?
C133 C11 H11F 109.5 . . ?
H11D C11 H11E 109.5 . . ?
H11D C11 H11F 109.5 . . ?
H11E C11 H11F 109.5 . . ?
C240 C177 H17A 109.5 . . ?
C240 C177 H17B 109.5 . . ?
C240 C177 H17C 109.5 . . ?
H17A C177 H17B 109.5 . . ?
H17A C177 H17C 109.5 . . ?
H17B C177 H17C 109.5 . . ?
C200 C89 H89A 109.5 . . ?
C200 C89 H89B 109.5 . . ?
C200 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
F4 C179 S4 109.8(11) . . ?
F10 C179 S4 110.9(11) . . ?
F10 C179 F4 90.2(13) . . ?
F12 C179 S4 115.8(11) . . ?
F12 C179 F4 110.3(15) . . ?
F12 C179 F10 116.8(17) . . ?
C153 C45 H45A 109.5 . . ?
C153 C45 H45B 109.5 . . ?
C153 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C146 C181 Rh10 71.9(8) . . ?
C146 C181 C208 126.2(14) . . ?
C146 C181 C29 110.5(14) . . ?
C208 C181 Rh10 125.8(9) . . ?
C29 C181 Rh10 70.6(8) . . ?
C29 C181 C208 123.2(14) . . ?
N11 C91 H91 121.3 . . ?
N11 C91 C259 117.4(15) . . ?
C259 C91 H91 121.3 . . ?
C176 C183 H18J 109.5 . . ?
C176 C183 H18K 109.5 . . ?
C176 C183 H18L 109.5 . . ?
H18J C183 H18K 109.5 . . ?
H18J C183 H18L 109.5 . . ?
H18K C183 H18L 109.5 . . ?
C246 C23 H23M 109.5 . . ?
C246 C23 H23N 109.5 . . ?
C246 C23 H23O 109.5 . . ?
H23M C23 H23N 109.5 . . ?
H23M C23 H23O 109.5 . . ?
H23N C23 H23O 109.5 . . ?
C218 C185 H18A 109.5 . . ?
C218 C185 H18B 109.5 . . ?
C218 C185 H18C 109.5 . . ?
H18A C185 H18B 109.5 . . ?
H18A C185 H18C 109.5 . . ?
H18B C185 H18C 109.5 . . ?
C228 C93 H93A 109.5 . . ?
C228 C93 H93B 109.5 . . ?
C228 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N7 C187 C44 123.9(15) . . ?
N7 C187 H187 118.0 . . ?
C44 C187 H187 118.0 . . ?
F1 C47 S1 108.8(9) . . ?
F6 C47 S1 112.2(10) . . ?
F6 C47 F1 103.8(13) . . ?
F8 C47 S1 110.2(10) . . ?
F8 C47 F1 109.0(13) . . ?
F8 C47 F6 112.5(14) . . ?
C91 N11 N7 128.5(14) . . ?
C39 C189 H18D 109.5 . . ?
C39 C189 H18E 109.5 . . ?
C39 C189 H18F 109.5 . . ?
H18D C189 H18E 109.5 . . ?
H18D C189 H18F 109.5 . . ?
H18E C189 H18F 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C61 C95 H95A 109.5 . . ?
C61 C95 H95B 109.5 . . ?
C61 C95 H95C 109.5 . . ?
H19G C191 H19H 109.5 . . ?
H19G C191 H19I 109.5 . . ?
H19H C191 H19I 109.5 . . ?
C243 C191 H19G 109.5 . . ?
C243 C191 H19H 109.5 . . ?
C243 C191 H19I 109.5 . . ?
C167 C3 H3A 109.5 . . ?
C167 C3 H3B 109.5 . . ?
C167 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C145 C193 H19A 109.5 . . ?
C145 C193 H19B 109.5 . . ?
C145 C193 H19C 109.5 . . ?
H19A C193 H19B 109.5 . . ?
H19A C193 H19C 109.5 . . ?
H19B C193 H19C 109.5 . . ?
C180 C97 H97A 109.5 . . ?
C180 C97 H97B 109.5 . . ?
C180 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C83 C195 H19J 109.5 . . ?
C83 C195 H19K 109.5 . . ?
C83 C195 H19L 109.5 . . ?
H19J C195 H19K 109.5 . . ?
H19J C195 H19L 109.5 . . ?
H19K C195 H19L 109.5 . . ?
C192 C49 H49A 109.5 . . ?
C192 C49 H49B 109.5 . . ?
C192 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
H19M C197 H19N 109.5 . . ?
H19M C197 H19O 109.5 . . ?
H19N C197 H19O 109.5 . . ?
C245 C197 H19M 109.5 . . ?
C245 C197 H19N 109.5 . . ?
C245 C197 H19O 109.5 . . ?
C133 C99 Rh12 74.2(9) . . ?
C133 C99 C149 112.3(15) . . ?
C133 C99 C31 130.4(16) . . ?
C149 C99 Rh12 71.8(8) . . ?
C31 C99 Rh12 125.2(11) . . ?
C31 C99 C149 117.1(16) . . ?
C159 C199 H19D 109.5 . . ?
C159 C199 H19E 109.5 . . ?
C159 C199 H19F 109.5 . . ?
H19D C199 H19E 109.5 . . ?
H19D C199 H19F 109.5 . . ?
H19E C199 H19F 109.5 . . ?
C77 C25 H25D 109.5 . . ?
C77 C25 H25E 109.5 . . ?
C77 C25 H25F 109.5 . . ?
H25D C25 H25E 109.5 . . ?
H25D C25 H25F 109.5 . . ?
H25E C25 H25F 109.5 . . ?
H20J C201 H20K 109.5 . . ?
H20J C201 H20L 109.5 . . ?
H20K C201 H20L 109.5 . . ?
C113 C201 H20J 109.5 . . ?
C113 C201 H20K 109.5 . . ?
C113 C201 H20L 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C13 C101 H10A 109.5 . . ?
C13 C101 H10B 109.5 . . ?
C13 C101 H10C 109.5 . . ?
C212 C203 H20D 109.5 . . ?
C212 C203 H20E 109.5 . . ?
C212 C203 H20F 109.5 . . ?
H20D C203 H20E 109.5 . . ?
H20D C203 H20F 109.5 . . ?
H20E C203 H20F 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C121 C51 H51A 109.5 . . ?
C121 C51 H51B 109.5 . . ?
C121 C51 H51C 109.5 . . ?
C75 C205 H20M 109.5 . . ?
C75 C205 H20N 109.5 . . ?
C75 C205 H20O 109.5 . . ?
H20M C205 H20N 109.5 . . ?
H20M C205 H20O 109.5 . . ?
H20N C205 H20O 109.5 . . ?
C207 C103 Rh1 71.3(3) . . ?
C207 C103 C247 130.5(8) . . ?
C105 C103 Rh1 71.0(3) . . ?
C105 C103 C207 108.0 . . ?
C105 C103 C247 121.5(8) . . ?
C247 C103 Rh1 124.5(9) . . ?
C103 C207 Rh1 69.5(3) . . ?
C103 C207 C13 108.0 . . ?
C103 C207 C125 126.4(8) . . ?
C13 C207 Rh1 71.8(3) . . ?
C13 C207 C125 125.4(8) . . ?
C125 C207 Rh1 127.7(8) . . ?
C101 C13 Rh1 123.9(9) . . ?
C207 C13 Rh1 69.5(3) . . ?
C207 C13 C101 125.9(8) . . ?
C209 C13 Rh1 70.6(3) . . ?
C209 C13 C101 126.0(8) . . ?
C209 C13 C207 108.0 . . ?
C182 C209 Rh1 124.8(8) . . ?
C13 C209 Rh1 70.9(3) . . ?
C13 C209 C182 128.0(8) . . ?
C13 C209 C105 108.0 . . ?
C105 C209 Rh1 69.3(3) . . ?
C105 C209 C182 124.0(8) . . ?
C73 C105 Rh1 121.8(7) . . ?
C103 C105 Rh1 69.7(3) . . ?
C103 C105 C73 125.9(7) . . ?
C103 C105 C209 108.0 . . ?
C209 C105 Rh1 71.8(3) . . ?
C209 C105 C73 126.0(7) . . ?
C26 C211 C58 122.8(9) . . ?
C26 C211 H211 118.6 . . ?
C58 C211 H211 118.6 . . ?
C70 C53 C136 120.1(10) . . ?
C184 C53 C70 120.4(11) . . ?
C184 C53 C136 119.5(10) . . ?
C14 C213 C74 124.7(10) . . ?
C14 C213 H213 117.6 . . ?
C74 C213 H213 117.6 . . ?
N10 C107 C206 124.1(12) . . ?
N10 C107 H107 117.9 . . ?
C206 C107 H107 117.9 . . ?
N12 C215 C86 122.5(10) . . ?
N12 C215 H215 118.7 . . ?
C86 C215 H215 118.7 . . ?
O12 C27 C56 112.9(11) . . ?
O12 C27 C72 126.0(12) . . ?
C72 C27 C56 121.0(11) . . ?
N4 C217 C122 120.3(10) . . ?
N4 C217 H217 119.8 . . ?
C122 C217 H217 119.8 . . ?
C180 C109 Rh8 69.7(8) . . ?
C180 C109 C223 124.9(14) . . ?
C226 C109 Rh8 71.3(8) . . ?
C226 C109 C180 108.2(13) . . ?
C226 C109 C223 126.9(13) . . ?
C223 C109 Rh8 123.6(10) . . ?
N5 C219 H219 119.0 . . ?
C261 C219 N5 122.0(11) 3_577 . ?
C261 C219 H219 119.0 3_577 . ?
N22 C55 C158 121.4(11) . 3_557 ?
N22 C55 H55 119.3 . . ?
C158 C55 H55 119.3 3_557 . ?
C78 C221 C100 119.9(10) . . ?
C78 C221 H221 120.1 . . ?
C100 C221 H221 120.1 . . ?
C200 C111 Rh4 69.3(7) . . ?
C200 C111 C246 108.9(12) . . ?
C200 C111 C143 124.8(13) . . ?
C246 C111 Rh4 70.3(7) . . ?
C246 C111 C143 126.2(13) . . ?
C143 C111 Rh4 122.9(9) . . ?
C109 C223 H22A 109.5 . . ?
C109 C223 H22B 109.5 . . ?
C109 C223 H22C 109.5 . . ?
H22A C223 H22B 109.5 . . ?
H22A C223 H22C 109.5 . . ?
H22B C223 H22C 109.5 . . ?
C118 C7 H7 118.0 . . ?
C238 C7 C118 124.0(11) . . ?
C238 C7 H7 118.0 . . ?
C37 C225 H22G 109.5 . . ?
C37 C225 H22H 109.5 . . ?
C37 C225 H22I 109.5 . . ?
H22G C225 H22H 109.5 . . ?
H22G C225 H22I 109.5 . . ?
H22H C225 H22I 109.5 . . ?
C252 C113 Rh3 73.5(8) . . ?
C252 C113 C37 111.3(14) . . ?
C252 C113 C201 130.5(16) . . ?
C37 C113 Rh3 73.4(8) . . ?
C37 C113 C201 118.1(15) . . ?
C201 C113 Rh3 122.0(10) . . ?
C244 C227 C33 114.5(13) . . ?
C43 C227 C244 121.2(14) . . ?
C43 C227 C33 124.1(14) . . ?
C202 C57 H57 116.2 . . ?
N21 C57 C202 127.6(15) 3_467 . ?
N21 C57 H57 116.2 3_467 . ?
C202 C229 C87 110.5(18) . . ?
C202 C229 H229 124.8 . . ?
C87 C229 H229 124.8 . . ?
C35 C115 H11G 109.5 . . ?
C35 C115 H11H 109.5 . . ?
C35 C115 H11I 109.5 . . ?
H11G C115 H11H 109.5 . . ?
H11G C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C1 O29 Rh6 128.6(7) . . ?
C18 C231 H231 119.1 . . ?
C2 C231 C18 121.9(13) . . ?
C2 C231 H231 119.1 . . ?
C168 C29 Rh10 126.1(10) . . ?
C212 C29 Rh10 70.6(8) . . ?
C212 C29 C168 124.1(15) . . ?
C181 C29 Rh10 70.8(7) . . ?
C181 C29 C168 128.0(15) . . ?
C181 C29 C212 107.9(13) . . ?
C174 C233 H23A 109.5 . . ?
C174 C233 H23B 109.5 . . ?
C174 C233 H23C 109.5 . . ?
H23A C233 H23B 109.5 . . ?
H23A C233 H23C 109.5 . . ?
H23B C233 H23C 109.5 . . ?
C230 C117 H11J 109.5 . . ?
C230 C117 H11K 109.5 . . ?
C230 C117 H11L 109.5 . . ?
H11J C117 H11K 109.5 . . ?
H11J C117 H11L 109.5 . . ?
H11K C117 H11L 109.5 . . ?
C165 C235 H23J 109.5 . . ?
C165 C235 H23K 109.5 . . ?
C165 C235 H23L 109.5 . . ?
H23J C235 H23K 109.5 . . ?
H23J C235 H23L 109.5 . . ?
H23K C235 H23L 109.5 . . ?
C41 C59 H59A 109.5 . . ?
C41 C59 H59B 109.5 . . ?
C41 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C157 C237 H23D 109.5 . . ?
C157 C237 H23E 109.5 . . ?
C157 C237 H23F 109.5 . . ?
H23D C237 H23E 109.5 . . ?
H23D C237 H23F 109.5 . . ?
H23E C237 H23F 109.5 . . ?
C5 C119 H11A 109.5 . . ?
C5 C119 H11B 109.5 . . ?
C5 C119 H11C 109.5 . . ?
H11A C119 H11B 109.5 . . ?
H11A C119 H11C 109.5 . . ?
H11B C119 H11C 109.5 . . ?
C234 C239 H23G 109.5 . . ?
C234 C239 H23H 109.5 . . ?
C234 C239 H23I 109.5 . . ?
H23G C239 H23H 109.5 . . ?
H23G C239 H23I 109.5 . . ?
H23H C239 H23I 109.5 . . ?
C232 C15 H15A 109.5 . . ?
C232 C15 H15B 109.5 . . ?
C232 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C236 C241 H24D 109.5 . . ?
C236 C241 H24E 109.5 . . ?
C236 C241 H24F 109.5 . . ?
H24D C241 H24E 109.5 . . ?
H24D C241 H24F 109.5 . . ?
H24E C241 H24F 109.5 . . ?
C51 C121 Rh11 113.1(10) . . ?
C243 C121 Rh11 77.3(5) . . ?
C243 C121 C51 117.7(9) . . ?
C123 C121 Rh11 75.0(5) . . ?
C123 C121 C51 134.3(9) . . ?
C123 C121 C243 108.0 . . ?
C191 C243 Rh11 120.1(10) . . ?
C121 C243 Rh11 62.7(5) . . ?
C121 C243 C191 128.1(8) . . ?
C121 C243 C61 108.0 . . ?
C61 C243 Rh11 81.0(5) . . ?
C61 C243 C191 123.8(8) . . ?
C95 C61 Rh11 123.2(12) . . ?
C243 C61 Rh11 63.0(4) . . ?
C243 C61 C95 124.4(9) . . ?
C245 C61 Rh11 71.5(4) . . ?
C245 C61 C95 126.8(9) . . ?
C245 C61 C243 108.0 . . ?
C197 C245 Rh11 123.4(11) . . ?
C61 C245 Rh11 73.7(4) . . ?
C61 C245 C197 126.3(9) . . ?
C123 C245 Rh11 61.9(4) . . ?
C123 C245 C197 125.2(9) . . ?
C123 C245 C61 108.0 . . ?
C121 C123 Rh11 64.3(5) . . ?
C121 C123 C249 133.5(9) . . ?
C245 C123 Rh11 81.6(5) . . ?
C245 C123 C121 108.0 . . ?
C245 C123 C249 118.3(9) . . ?
C249 C123 Rh11 116.4(10) . . ?
C103 C247 H24A 109.5 . . ?
C103 C247 H24B 109.5 . . ?
C103 C247 H24C 109.5 . . ?
H24A C247 H24B 109.5 . . ?
H24A C247 H24C 109.5 . . ?
H24B C247 H24C 109.5 . . ?
C99 C31 H31A 109.5 . . ?
C99 C31 H31B 109.5 . . ?
C99 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C123 C249 H24G 109.5 . . ?
C123 C249 H24H 109.5 . . ?
C123 C249 H24I 109.5 . . ?
H24G C249 H24H 109.5 . . ?
H24G C249 H24I 109.5 . . ?
H24H C249 H24I 109.5 . . ?
C207 C125 H12A 109.5 . . ?
C207 C125 H12B 109.5 . . ?
C207 C125 H12C 109.5 . . ?
H12A C125 H12B 109.5 . . ?
H12A C125 H12C 109.5 . . ?
H12B C125 H12C 109.5 . . ?
O31 S2 C253 102.4(9) . . ?
O2 S2 O31 115.2(10) . . ?
O2 S2 O33 116.6(9) . . ?
O2 S2 C253 102.6(9) . . ?
O33 S2 O31 116.4(9) . . ?
O33 S2 C253 99.9(10) . . ?
C79 C251 H25A 109.5 . . ?
C79 C251 H25B 109.5 . . ?
C79 C251 H25C 109.5 . . ?
H25A C251 H25B 109.5 . . ?
H25A C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
O17 S3 C63 103.6(8) . . ?
O17 S3 O9 107.9(8) . . ?
O35 S3 O17 119.0(9) . . ?
O35 S3 C63 105.7(9) . . ?
O35 S3 O9 118.4(10) . . ?
O9 S3 C63 99.1(8) . . ?
F9 C63 S3 113.3(11) . . ?
F9 C63 F5 107.2(15) . . ?
F9 C63 F11 108.2(15) . . ?
F5 C63 S3 109.9(11) . . ?
F11 C63 S3 107.8(11) . . ?
F11 C63 F5 110.4(15) . . ?
F3 C253 S2 107.3(12) . . ?
F3 C253 F7 109.5(18) . . ?
F3 C253 F2 115.9(18) . . ?
F7 C253 S2 109.7(13) . . ?
F7 C253 F2 106.2(17) . . ?
F2 C253 S2 108.2(12) . . ?
O43 S8 O50 131.8(11) . . ?
O43 S8 C262 109.2(11) . . ?
O43 S8 O47 113.6(10) . . ?
O50 S8 C262 101.7(9) . . ?
O50 S8 O47 100.9(8) . . ?
O47 S8 C262 92.4(8) . . ?
O46 S7 C258 104.0(9) . . ?
O44 S7 O46 120.9(13) . . ?
O44 S7 C258 102.5(9) . . ?
O53 S7 O46 109.9(14) . . ?
O53 S7 O44 113.8(14) . . ?
O53 S7 C258 103.2(10) . . ?
F17 C258 S7 110.7(12) . . ?
F17 C258 F37 117.0(19) . . ?
F17 C258 F51 111.9(19) . . ?
F37 C258 S7 106.1(12) . . ?
F51 C258 S7 105.5(12) . . ?
F51 C258 F37 104.8(19) . . ?
C186 C259 C91 132.0(13) 3_577 . ?
C261 C259 C91 106.3(13) . . ?
C261 C259 C186 121.7(11) . 3_577 ?
C260 C186 H186 120.9 . . ?
C259 C186 C260 118.1(10) 3_577 . ?
C259 C186 H186 120.9 3_577 . ?
C219 C261 H261 120.4 3_577 . ?
C259 C261 C219 119.2(13) . 3_577 ?
C259 C261 H261 120.4 . . ?
F15 C262 S8 104.0(11) . . ?
F15 C262 F104 110.3(19) . . ?
F31 C262 S8 109.2(13) . . ?
F31 C262 F15 105.0(19) . . ?
F31 C262 F104 127(2) . . ?
F104 C262 S8 99.5(11) . . ?

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 O22 C60 C6 3.3(14) . . . . ?
Rh1 O22 C60 C50 -178.8(6) . . . . ?
Rh1 N5 C260 C186 -179.9(8) . . . . ?
Rh1 N5 C219 C261 -176.7(11) . . . 3_577 ?
Rh1 C103 C207 C13 61.8(3) . . . . ?
Rh1 C103 C207 C125 -122.4(11) . . . . ?
Rh1 C103 C105 C73 115.3(9) . . . . ?
Rh1 C103 C105 C209 -62.0(3) . . . . ?
Rh1 C207 C13 C101 -117.6(12) . . . . ?
Rh1 C207 C13 C209 60.4(3) . . . . ?
Rh1 C13 C209 C182 -119.8(11) . . . . ?
Rh1 C13 C209 C105 59.7(3) . . . . ?
Rh1 C209 C105 C73 -116.6(9) . . . . ?
Rh1 C209 C105 C103 60.7(3) . . . . ?
Rh4 O1 C8 C14 166.6(6) . . . . ?
Rh4 O1 C8 C24 -13.6(13) . . . . ?
Rh4 O18 C32 C24 15.8(14) . . . . ?
Rh4 O18 C32 C128 -162.9(6) . . . . ?
Rh4 N6 C116 C131 179.7(9) . . . . ?
Rh4 N6 C166 C134 179.0(7) . . . . ?
Rh4 C94 C170 C200 -58.8(8) . . . . ?
Rh4 C94 C170 C175 115.9(14) . . . . ?
Rh4 C94 C246 C23 -124.2(14) . . . . ?
Rh4 C94 C246 C111 61.2(8) . . . . ?
Rh4 C170 C200 C89 120.5(13) . . . . ?
Rh4 C170 C200 C111 -63.6(8) . . . . ?
Rh4 C200 C111 C246 -59.3(8) . . . . ?
Rh4 C200 C111 C143 116.4(13) . . . . ?
Rh4 C246 C111 C200 58.7(9) . . . . ?
Rh4 C246 C111 C143 -117.0(13) . . . . ?
Rh6 O20 C104 C16 15.2(15) . . . . ?
Rh6 O20 C104 C162 -163.1(7) . . . . ?
Rh6 O20 C141 C145 157(6) . . . . ?
Rh6 N12 C110 C92 177.7(8) . . . . ?
Rh6 N12 C215 C86 -178.2(7) . . . . ?
Rh6 C174 C248 C218 61.0(9) . . . . ?
Rh6 C174 C248 C147 -122.7(12) . . . . ?
Rh6 C174 C145 C178 -59.8(10) . . . . ?
Rh6 C174 C145 C141 11.7(7) . . . . ?
Rh6 C174 C145 C193 116.0(12) . . . . ?
Rh6 C178 C218 C248 -59.8(9) . . . . ?
Rh6 C178 C218 C185 117.9(14) . . . . ?
Rh6 C178 C145 C174 60.0(9) . . . . ?
Rh6 C178 C145 C141 -10.0(7) . . . . ?
Rh6 C178 C145 C193 -115.4(14) . . . . ?
Rh6 C218 C248 C174 -60.7(9) . . . . ?
Rh6 C218 C248 C147 123.4(13) . . . . ?
Rh8 O4 C58 C28 -11.8(15) . . . . ?
Rh8 O4 C58 C211 165.8(6) . . . . ?
Rh8 O6 C100 C28 17.6(15) . . . . ?
Rh8 O6 C100 C221 -162.4(7) . . . . ?
Rh8 N18 C120 C184 177.7(9) . . . . ?
Rh8 N18 C190 C70 -173.1(8) . . . . ?
Rh8 C176 C180 C97 123.2(17) . . . . ?
Rh8 C176 C180 C109 -62.4(9) . . . . ?
Rh8 C176 C35 C226 65.7(10) . . . . ?
Rh8 C176 C35 C115 -117.4(15) . . . . ?
Rh8 C180 C109 C226 -61.2(10) . . . . ?
Rh8 C180 C109 C223 117.4(14) . . . . ?
Rh8 C226 C35 C176 -63.6(10) . . . . ?
Rh8 C226 C35 C115 119.6(16) . . . . ?
Rh8 C226 C109 C180 60.2(10) . . . . ?
Rh8 C226 C109 C223 -118.4(14) . . . . ?
Rh10 O8 C20 C26 -169.3(6) . . . . ?
Rh10 O8 C20 C30 8.6(15) . . . . ?
Rh10 O10 C84 C30 -6.0(15) . . . . ?
Rh10 O10 C84 C78 172.5(6) . . . . ?
Rh10 N3 C160 C82 -174.7(8) . . . . ?
Rh10 N3 C164 C17 178.3(10) . . . . ?
Rh10 C146 C192 C212 -62.2(9) . . . . ?
Rh10 C146 C192 C49 120.3(14) . . . . ?
Rh10 C146 C181 C208 -121.6(13) . . . . ?
Rh10 C146 C181 C29 60.3(9) . . . . ?
Rh10 C192 C212 C203 117.3(14) . . . . ?
Rh10 C192 C212 C29 -60.6(9) . . . . ?
Rh10 C212 C29 C168 121.1(13) . . . . ?
Rh10 C212 C29 C181 -61.3(9) . . . . ?
Rh10 C181 C29 C168 -121.3(14) . . . . ?
Rh10 C181 C29 C212 61.1(9) . . . . ?
Rh12 O14 C52 C10 17.7(15) . . . . ?
Rh12 O14 C52 C140 -159.7(7) . . . . ?
Rh12 O16 C66 C10 -13.2(13) . . . . ?
Rh12 O16 C66 C80 166.9(6) . . . . ?
Rh12 N9 C256 C42 178.0(5) . . . . ?
Rh12 N9 C48 C46 -178.2(5) . . . . ?
Rh12 C240 C149 C85 112.3(17) . . . . ?
Rh12 C240 C149 C99 -58.9(9) . . . . ?
Rh12 C240 C173 C138 -113.1(13) . . . . ?
Rh12 C240 C173 C133 59.2(9) . . . . ?
Rh12 C133 C173 C138 115.0(14) . . . . ?
Rh12 C133 C173 C240 -57.2(9) . . . . ?
Rh12 C133 C99 C149 62.1(10) . . . . ?
Rh12 C133 C99 C31 -123.1(18) . . . . ?
Rh12 C149 C99 C133 -63.5(11) . . . . ?
Rh12 C149 C99 C31 120.9(14) . . . . ?
Rh3 O12 C27 C56 -168.2(7) . . . . ?
Rh3 O12 C27 C72 13.2(16) . . . . ?
Rh3 O30 C126 C72 -5.2(16) . . . . ?
Rh3 O30 C126 C238 171.9(6) . . . . ?
Rh3 N4 C54 C130 178.5(8) . . . . ?
Rh3 N4 C217 C122 -177.8(8) . . . . ?
Rh3 C188 C71 C252 62.6(8) . . . . ?
Rh3 C188 C71 C137 -120.9(12) . . . . ?
Rh3 C188 C37 C225 121.7(14) . . . . ?
Rh3 C188 C37 C113 -58.6(9) . . . . ?
Rh3 C252 C71 C188 -62.9(8) . . . . ?
Rh3 C252 C71 C137 121.1(16) . . . . ?
Rh3 C252 C113 C37 64.2(10) . . . . ?
Rh3 C252 C113 C201 -118.3(16) . . . . ?
Rh3 C37 C113 C252 -64.3(10) . . . . ?
Rh3 C37 C113 C201 117.8(12) . . . . ?
Rh7 O24 C74 C38 -5.6(14) . . . . ?
Rh7 O24 C74 C213 176.5(6) . . . . ?
Rh7 O26 C144 C38 -9.3(16) . . . . ?
Rh7 O26 C144 C154 174.6(6) . . . . ?
Rh7 N10 C124 C96 176.9(8) . . . . ?
Rh7 N10 C107 C206 -175.8(9) . . . . ?
Rh7 C75 C151 C19 61.8(4) . . . . ?
Rh7 C75 C151 C169 -117.6(11) . . . . ?
Rh7 C75 C77 C153 -61.3(3) . . . . ?
Rh7 C75 C77 C25 117.4(11) . . . . ?
Rh7 C151 C19 C153 61.0(3) . . . . ?
Rh7 C151 C19 C161 -119.4(11) . . . . ?
Rh7 C19 C153 C77 60.1(4) . . . . ?
Rh7 C19 C153 C45 -113.2(11) . . . . ?
Rh7 C153 C77 C75 60.3(4) . . . . ?
Rh7 C153 C77 C25 -118.4(10) . . . . ?
Rh2 O32 C118 C114 6.4(16) . . . . ?
Rh2 O32 C118 C7 -177.4(6) . . . . ?
Rh2 O19 C254 C114 -14.4(17) . . . . ?
Rh2 O19 C254 C9 161.6(7) . . . . ?
Rh2 N20 C132 C112 175.7(7) . . . . ?
Rh2 N20 C152 C214 -175.7(9) . . . . ?
Rh2 C228 C230 C232 60.2(4) . . . . ?
Rh2 C228 C230 C117 -120.9(12) . . . . ?
Rh2 C228 C236 C234 -59.7(4) . . . . ?
Rh2 C228 C236 C241 115.4(12) . . . . ?
Rh2 C230 C232 C234 61.6(4) . . . . ?
Rh2 C230 C232 C15 -119.9(12) . . . . ?
Rh2 C232 C234 C236 62.0(4) . . . . ?
Rh2 C232 C234 C239 -122.0(12) . . . . ?
Rh2 C234 C236 C228 60.8(4) . . . . ?
Rh2 C234 C236 C241 -113.9(13) . . . . ?
Rh9 O28 C68 C76 2.5(16) . . . . ?
Rh9 O28 C68 C90 -173.7(7) . . . . ?
Rh9 O34 C102 C76 -8.9(16) . . . . ?
Rh9 O34 C102 C216 170.4(7) . . . . ?
Rh9 N16 C108 C64 -179.8(8) . . . . ?
Rh9 N16 C2 C231 179.5(9) . . . . ?
Rh9 C39 C157 C79 -60.9(4) . . . . ?
Rh9 C39 C157 C237 119.0(12) . . . . ?
Rh9 C39 C5 C159 58.7(4) . . . . ?
Rh9 C39 C5 C119 -118.9(12) . . . . ?
Rh9 C157 C79 C159 -63.2(4) . . . . ?
Rh9 C157 C79 C251 116.3(12) . . . . ?
Rh9 C79 C159 C5 -62.4(4) . . . . ?
Rh9 C79 C159 C199 122.9(12) . . . . ?
Rh9 C159 C5 C39 -59.6(4) . . . . ?
Rh9 C159 C5 C119 118.1(12) . . . . ?
Rh5 O21 C242 C156 -6(2) . . . . ?
Rh5 O21 C242 C194 175.5(8) . . . . ?
Rh5 O11 C127 C156 -1(2) . . . . ?
Rh5 O11 C127 C172 -177.2(8) . . . . ?
Rh5 N2 C67 C43 -177.8(11) . . . . ?
Rh5 N2 C139 C244 179.2(9) . . . . ?
Rh5 C163 C41 C165 -62.8(5) . . . . ?
Rh5 C163 C41 C59 115.3(12) . . . . ?
Rh5 C163 C167 C83 63.6(5) . . . . ?
Rh5 C163 C167 C3 -117.9(14) . . . . ?
Rh5 C41 C165 C83 -59.4(4) . . . . ?
Rh5 C41 C165 C235 115.6(15) . . . . ?
Rh5 C165 C83 C167 -58.0(5) . . . . ?
Rh5 C165 C83 C195 123.4(12) . . . . ?
Rh5 C83 C167 C163 -60.5(4) . . . . ?
Rh5 C83 C167 C3 120.8(13) . . . . ?
Rh11 O36 C148 C198 -169.9(8) . . . . ?
Rh11 O36 C148 C222 9(2) . . . . ?
Rh11 O37 C220 C222 -14.7(18) . . . . ?
Rh11 O37 C220 C250 161.5(8) . . . . ?
Rh11 N19 C155 C65 177.1(9) . . . . ?
Rh11 N19 C87 C229 178.3(13) . . . . ?
Rh11 C121 C243 C191 -108.2(13) . . . . ?
Rh11 C121 C243 C61 69.4(5) . . . . ?
Rh11 C121 C123 C245 -71.0(5) . . . . ?
Rh11 C121 C123 C249 103.0(15) . . . . ?
Rh11 C243 C61 C95 -113.3(15) . . . . ?
Rh11 C243 C61 C245 57.3(4) . . . . ?
Rh11 C61 C245 C197 -119.9(15) . . . . ?
Rh11 C61 C245 C123 52.3(4) . . . . ?
Rh11 C245 C123 C121 59.5(4) . . . . ?
Rh11 C245 C123 C249 -115.6(12) . . . . ?
O1 C8 C14 C213 179.9(9) . . . . ?
O1 C8 C24 C32 1.2(14) . . . . ?
O1 C8 C24 C38 -176.3(8) . . . . ?
O4 C58 C211 C26 179.5(10) . . . . ?
C1 C16 C76 C68 2.3(14) . . . . ?
C1 C16 C76 C102 -178.3(9) . . . . ?
C1 C16 C104 O20 -6.1(16) . . . . ?
C1 C16 C104 C162 172.2(9) . . . . ?
C1 C22 C90 C68 -2.1(16) . . . . ?
O6 C100 C221 C78 -178.9(10) . . . . ?
O8 C20 C26 C211 -177.4(10) . . . . ?
O8 C20 C30 C28 178.0(10) . . . . ?
O8 C20 C30 C84 -2.7(15) . . . . ?
C4 C6 C10 C52 3.4(12) . . . . ?
C4 C6 C10 C66 -179.1(8) . . . . ?
C4 C6 C60 O22 -4.4(15) . . . . ?
C4 C6 C60 C50 177.8(8) . . . . ?
O14 C52 C140 C150 -176.1(10) . . . . ?
O16 C66 C80 C50 179.2(9) . . . . ?
O18 C32 C128 C154 -174.6(9) . . . . ?
O20 C104 C162 C216 -173.5(11) . . . . ?
O24 C74 C213 C14 -179.5(9) . . . . ?
O26 C144 C154 C128 176.1(10) . . . . ?
O28 C68 C76 C16 179.0(10) . . . . ?
O28 C68 C76 C102 -0.3(18) . . . . ?
O28 C68 C90 C22 -178.4(9) . . . . ?
O30 C126 C238 C7 179.2(10) . . . . ?
N1 N8 C98 C12 -175.6(8) . . . 3_467 ?
O32 C118 C7 C238 179.1(10) . . . . ?
N4 C54 C130 C12 -2.8(16) . . . . ?
N6 C116 C131 C142 4.3(19) . . . . ?
N8 N1 C36 C34 -179.3(8) . . . . ?
N14 N13 C106 C18 -175.8(9) 3_577 . . . ?
O34 C102 C216 C162 176.7(10) . . . . ?
O36 C148 C198 C194 177.0(12) . . . . ?
O36 C148 C222 C156 -177.7(12) . . . . ?
O36 C148 C222 C220 3.1(19) . . . . ?
O37 C220 C222 C148 0.2(19) . . . . ?
O37 C220 C222 C156 -179.1(12) . . . . ?
O37 C220 C250 C172 179.9(14) . . . . ?
O19 C254 C9 C56 177.3(10) . . . . ?
N16 C2 C231 C18 -2(2) . . . . ?
N18 C120 C184 C53 -8.0(19) . . . . ?
N20 C152 C214 C34 1.0(19) . . . . ?
N5 C260 C186 C259 -3.9(17) . . . 3_577 ?
N22 N15 C136 C53 -178.6(9) . . . . ?
C6 C4 O23 Rh1 -3.8(14) . . . . ?
C6 C4 C150 C140 -3.8(15) . . . . ?
C6 C10 C52 O14 175.1(9) . . . . ?
C6 C10 C52 C140 -7.7(13) . . . . ?
C6 C10 C66 O16 -177.6(8) . . . . ?
C6 C10 C66 C80 2.3(12) . . . . ?
N23 N17 C129 C196 -177.6(10) . . . . ?
C8 C14 C213 C74 -3.2(15) . . . . ?
C8 C24 C32 O18 -2.6(14) . . . . ?
C8 C24 C32 C128 176.1(9) . . . . ?
C8 C24 C38 C74 -4.2(12) . . . . ?
C8 C24 C38 C144 -179.4(8) . . . . ?
N3 C164 C17 C158 -3(2) . . . . ?
N13 N14 C88 C62 -179.3(8) 3_577 . . . ?
C10 C6 C60 O22 179.4(8) . . . . ?
C10 C6 C60 C50 1.7(13) . . . . ?
C10 C52 C140 C150 6.4(16) . . . . ?
C10 C66 C80 C50 -0.8(14) . . . . ?
C12 C122 C217 N4 1.2(17) . . . . ?
C14 C8 C24 C32 -179.0(8) . . . . ?
C14 C8 C24 C38 3.5(12) . . . . ?
N15 N22 C55 C158 179.1(9) . . . 3_557 ?
N15 C136 C53 C70 1.3(17) . . . . ?
N15 C136 C53 C184 -179.8(11) . . . . ?
C16 C1 C22 C90 -0.7(15) . . . . ?
C16 C1 O29 Rh6 -11.6(15) . . . . ?
C16 C76 C102 O34 -175.7(9) . . . . ?
C16 C76 C102 C216 5.0(15) . . . . ?
C16 C104 C162 C216 8.1(17) . . . . ?
C18 C64 C108 N16 2.2(17) . . . . ?
C20 C26 C211 C58 -1.2(16) . . . . ?
C20 C30 C84 O10 1.4(15) . . . . ?
C20 C30 C84 C78 -177.1(8) . . . . ?
C22 C1 C16 C76 0.7(13) . . . . ?
C22 C1 C16 C104 -178.0(9) . . . . ?
C22 C1 O29 Rh6 170.7(6) . . . . ?
C24 C8 C14 C213 0.1(14) . . . . ?
C24 C32 C128 C154 6.6(15) . . . . ?
C24 C38 C74 O24 -176.3(8) . . . . ?
C24 C38 C74 C213 1.4(13) . . . . ?
C24 C38 C144 O26 -175.8(9) . . . . ?
C24 C38 C144 C154 0.3(13) . . . . ?
C26 C20 C30 C28 -4.1(13) . . . . ?
C26 C20 C30 C84 175.2(9) . . . . ?
C28 C30 C84 O10 -179.4(9) . . . . ?
C28 C30 C84 C78 2.2(14) . . . . ?
C28 C58 C211 C26 -2.7(16) . . . . ?
C28 C100 C221 C78 1.1(15) . . . . ?
C30 C20 C26 C211 4.5(15) . . . . ?
C30 C28 C58 O4 -179.6(9) . . . . ?
C30 C28 C58 C211 2.9(14) . . . . ?
C30 C28 C100 O6 176.6(10) . . . . ?
C30 C28 C100 C221 -3.5(14) . . . . ?
N2 C67 C43 C227 -2(3) . . . . ?
C32 C24 C38 C74 178.2(8) . . . . ?
C32 C24 C38 C144 3.1(12) . . . . ?
C32 C128 C154 C144 -3.1(16) . . . . ?
C34 C112 C132 N20 -1.2(16) . . . . ?
C36 N1 N8 C98 -177.2(9) . . . . ?
C36 C34 C112 C132 -179.1(9) . . . . ?
C36 C34 C214 C152 179.2(10) . . . . ?
C38 C24 C32 O18 174.9(8) . . . . ?
C38 C24 C32 C128 -6.5(13) . . . . ?
C38 C74 C213 C14 2.4(14) . . . . ?
C38 C144 C154 C128 -0.3(16) . . . . ?
N9 C256 C42 C44 0.0 . . . . ?
C256 N9 C48 C46 0.0 . . . . ?
C256 C42 C44 C46 0.0 . . . . ?
C256 C42 C44 C187 179.0(11) . . . . ?
C42 C44 C46 C48 0.0 . . . . ?
C42 C44 C187 N7 3(2) . . . . ?
C44 C46 C48 N9 0.0 . . . . ?
C46 C44 C187 N7 -178.0(16) . . . . ?
C48 N9 C256 C42 0.0 . . . . ?
C52 C10 C66 O16 -0.3(15) . . . . ?
C52 C10 C66 C80 179.7(9) . . . . ?
C52 C140 C150 C4 -0.5(16) . . . . ?
C54 N4 C217 C122 0.1(15) . . . . ?
O23 C4 C6 C10 -179.1(8) . . . . ?
O23 C4 C6 C60 4.7(15) . . . . ?
O23 C4 C150 C140 177.3(10) . . . . ?
C58 C28 C30 C20 0.5(14) . . . . ?
C58 C28 C30 C84 -178.8(9) . . . . ?
C58 C28 C100 O6 -2.9(16) . . . . ?
C58 C28 C100 C221 177.1(9) . . . . ?
C60 C6 C10 C52 179.7(8) . . . . ?
C60 C6 C10 C66 -2.8(12) . . . . ?
C60 C50 C80 C66 -0.5(15) . . . . ?
C62 C86 C215 N12 -1.7(16) . . . . ?
C62 C92 C110 N12 2.4(16) . . . . ?
C64 C18 C106 N13 -5.3(18) . . . . ?
C64 C18 C231 C2 3.4(18) . . . . ?
C66 C10 C52 O14 -2.2(16) . . . . ?
C66 C10 C52 C140 175.0(9) . . . . ?
C68 C76 C102 O34 3.6(17) . . . . ?
C68 C76 C102 C216 -175.7(10) . . . . ?
O3 S1 C47 F1 49.7(12) . . . . ?
O3 S1 C47 F6 -64.7(13) . . . . ?
O3 S1 C47 F8 169.1(12) . . . . ?
C72 C114 C118 O32 179.3(10) . . . . ?
C72 C114 C118 C7 3.2(15) . . . . ?
C72 C114 C254 O19 -174.9(10) . . . . ?
C72 C114 C254 C9 9.4(16) . . . . ?
C72 C126 C238 C7 -3.6(16) . . . . ?
C74 C38 C144 O26 9.1(16) . . . . ?
C74 C38 C144 C154 -174.8(9) . . . . ?
N19 C87 C229 C202 8(3) . . . . ?
C76 C16 C104 O20 175.3(9) . . . . ?
C76 C16 C104 C162 -6.4(15) . . . . ?
C76 C68 C90 C22 5.1(16) . . . . ?
C76 C102 C216 C162 -4.0(17) . . . . ?
C80 C50 C60 O22 -178.0(9) . . . . ?
C80 C50 C60 C6 0.0(14) . . . . ?
C82 C158 C17 C164 -0.1(19) . . . . ?
C84 C78 C221 C100 3.2(17) . . . . ?
C86 C62 C88 N14 1.0(16) . . . . ?
C86 C62 C92 C110 -0.9(15) . . . . ?
C88 C62 C86 C215 179.3(9) . . . . ?
C88 C62 C92 C110 -179.7(9) . . . . ?
C90 C68 C76 C16 -5.0(15) . . . . ?
C90 C68 C76 C102 175.6(9) . . . . ?
C92 C62 C86 C215 0.5(15) . . . . ?
C92 C62 C88 N14 179.8(10) . . . . ?
C94 C170 C200 Rh4 60.7(9) . . . . ?
C94 C170 C200 C89 -178.8(12) . . . . ?
C94 C170 C200 C111 -2.8(14) . . . . ?
C94 C246 C111 Rh4 -62.0(8) . . . . ?
C94 C246 C111 C200 -3.3(14) . . . . ?
C94 C246 C111 C143 -179.0(12) . . . . ?
C96 C196 C206 C107 1.4(19) . . . . ?
C96 C196 C129 N17 -10(2) . . . . ?
C98 C12 C122 C217 178.6(10) 3_467 . . . ?
C98 C12 C130 C54 -177.9(10) 3_467 . . . ?
N24 C33 C227 C244 3(2) . . . . ?
N24 C33 C227 C43 -172.5(15) . . . . ?
C100 C28 C30 C20 -179.0(9) . . . . ?
C100 C28 C30 C84 1.7(14) . . . . ?
C100 C28 C58 O4 -0.1(16) . . . . ?
C100 C28 C58 C211 -177.6(9) . . . . ?
C104 O20 C141 C145 114.3(15) . . . . ?
C104 C16 C76 C68 -179.1(10) . . . . ?
C104 C16 C76 C102 0.3(14) . . . . ?
C104 C162 C216 C102 -2.9(19) . . . . ?
C106 C18 C64 C108 178.5(10) . . . . ?
C106 C18 C231 C2 -178.6(11) . . . . ?
C108 N16 C2 C231 0.1(18) . . . . ?
C110 N12 C215 C86 3.1(15) . . . . ?
C112 C34 C36 N1 4.6(16) . . . . ?
C112 C34 C214 C152 -1.3(16) . . . . ?
C114 C72 C126 O30 179.6(10) . . . . ?
C114 C72 C126 C238 2.8(16) . . . . ?
C114 C72 C27 O12 176.1(10) . . . . ?
C114 C72 C27 C56 -2.3(16) . . . . ?
C114 C118 C7 C238 -4.4(17) . . . . ?
C114 C254 C9 C56 -6.4(16) . . . . ?
C116 N6 C166 C134 -1.2(15) . . . . ?
C118 C114 C254 O19 4.5(19) . . . . ?
C118 C114 C254 C9 -171.2(10) . . . . ?
C120 N18 C190 C70 0.2(17) . . . . ?
C120 C184 C53 C70 7.3(19) . . . . ?
C120 C184 C53 C136 -171.7(11) . . . . ?
C122 C12 C130 C54 3.8(15) . . . . ?
C124 N10 C107 C206 -1.6(17) . . . . ?
C124 C96 C196 C206 -0.2(17) . . . . ?
C124 C96 C196 C129 -176.4(11) . . . . ?
C126 C72 C114 C118 -2.7(15) . . . . ?
C126 C72 C114 C254 176.8(10) . . . . ?
C126 C72 C27 O12 -5.8(18) . . . . ?
C126 C72 C27 C56 175.8(11) . . . . ?
C126 C238 C7 C118 4.3(17) . . . . ?
C130 C12 C122 C217 -3.1(16) . . . . ?
C132 N20 C152 C214 -0.7(17) . . . . ?
C134 C142 C210 N23 3.0(19) . . . 3_467 ?
C134 C142 C131 C116 -7(2) . . . . ?
C142 C134 C166 N6 -1.4(15) . . . . ?
C144 C38 C74 O24 -1.4(15) . . . . ?
C144 C38 C74 C213 176.4(9) . . . . ?
C146 C192 C212 Rh10 62.6(9) . . . . ?
C146 C192 C212 C203 179.9(12) . . . . ?
C146 C192 C212 C29 2.0(15) . . . . ?
C146 C181 C29 Rh10 -61.1(9) . . . . ?
C146 C181 C29 C168 177.5(12) . . . . ?
C146 C181 C29 C212 0.0(15) . . . . ?
C150 C4 C6 C10 2.2(13) . . . . ?
C150 C4 C6 C60 -174.0(9) . . . . ?
C150 C4 O23 Rh1 175.0(6) . . . . ?
C152 N20 C132 C112 0.8(15) . . . . ?
C158 C82 C160 N3 -4.3(17) . . . . ?
C160 N3 C164 C17 1.9(19) . . . . ?
C160 C82 C158 C17 3.4(18) . . . . ?
C160 C82 C158 C55 -177.2(10) . . . 3_557 ?
C164 N3 C160 C82 1.9(16) . . . . ?
C166 N6 C116 C131 0.0(18) . . . . ?
C166 C134 C142 C210 -178.4(10) . . . . ?
C166 C134 C142 C131 5.8(18) . . . . ?
C170 C94 C246 Rh4 -59.7(10) . . . . ?
C170 C94 C246 C23 176.1(13) . . . . ?
C170 C94 C246 C111 1.5(14) . . . . ?
C170 C200 C111 Rh4 63.0(8) . . . . ?
C170 C200 C111 C246 3.8(13) . . . . ?
C170 C200 C111 C143 179.4(12) . . . . ?
C176 C180 C109 Rh8 61.1(9) . . . . ?
C176 C180 C109 C226 -0.1(15) . . . . ?
C176 C180 C109 C223 178.5(12) . . . . ?
C178 C218 C248 Rh6 59.4(9) . . . . ?
C178 C218 C248 C174 -1.3(15) . . . . ?
C178 C218 C248 C147 -177.2(12) . . . . ?
C180 C176 C35 Rh8 -60.2(10) . . . . ?
C180 C176 C35 C226 5.5(16) . . . . ?
C180 C176 C35 C115 -177.7(14) . . . . ?
C182 C209 C105 Rh1 118.8(10) . . . . ?
C182 C209 C105 C73 2.2(13) . . . . ?
C182 C209 C105 C103 179.5(11) . . . . ?
C260 N5 C219 C261 -0.6(18) . . . 3_577 ?
C188 C37 C113 Rh3 60.4(9) . . . . ?
C188 C37 C113 C252 -3.9(16) . . . . ?
C188 C37 C113 C201 178.3(11) . . . . ?
C190 N18 C120 C184 4.1(18) . . . . ?
C190 C70 C53 C136 176.0(10) . . . . ?
C190 C70 C53 C184 -3.0(18) . . . . ?
C192 C146 C181 Rh10 -59.1(8) . . . . ?
C192 C146 C181 C208 179.2(12) . . . . ?
C192 C146 C181 C29 1.2(14) . . . . ?
C192 C212 C29 Rh10 60.0(9) . . . . ?
C192 C212 C29 C168 -178.9(12) . . . . ?
C192 C212 C29 C181 -1.3(15) . . . . ?
C196 C96 C124 N10 -2.0(17) . . . . ?
C196 C206 C107 N10 -1(2) . . . . ?
C198 C148 C222 C156 1.3(17) . . . . ?
C198 C148 C222 C220 -177.9(10) . . . . ?
C198 C194 C242 O21 175.8(12) . . . . ?
C198 C194 C242 C156 -3(2) . . . . ?
C202 C65 C155 N19 3(2) . . . . ?
C204 C252 C71 Rh3 -117.4(12) . . . . ?
C204 C252 C71 C188 179.6(11) . . . . ?
C204 C252 C71 C137 4(2) . . . . ?
C204 C252 C113 Rh3 116.2(14) . . . . ?
C204 C252 C113 C37 -179.6(12) . . . . ?
C204 C252 C113 C201 -2(3) . . . . ?
O25 S1 C47 F1 -66.2(12) . . . . ?
O25 S1 C47 F6 179.5(12) . . . . ?
O25 S1 C47 F8 53.3(13) . . . . ?
C206 C196 C129 N17 173.7(12) . . . . ?
C208 C181 C29 Rh10 120.8(12) . . . . ?
C208 C181 C29 C168 -1(2) . . . . ?
C208 C181 C29 C212 -178.1(12) . . . . ?
C210 N23 N17 C129 -171.6(12) 3_467 . . . ?
C210 C142 C131 C116 177.1(11) . . . . ?
C214 C34 C36 N1 -175.9(10) . . . . ?
C214 C34 C112 C132 1.4(14) . . . . ?
C218 C178 C145 Rh6 -62.0(9) . . . . ?
C218 C178 C145 C174 -2.0(15) . . . . ?
C218 C178 C145 C141 -72.1(11) . . . . ?
C218 C178 C145 C193 -177.4(12) . . . . ?
C222 C148 C198 C194 -2.1(19) . . . . ?
C222 C156 C242 O21 -176.6(12) . . . . ?
C222 C156 C242 C194 1.6(17) . . . . ?
C222 C156 C127 O11 -179.8(12) . . . . ?
C222 C156 C127 C172 -3.1(18) . . . . ?
C222 C220 C250 C172 -3(2) . . . . ?
C224 C188 C71 Rh3 118.7(11) . . . . ?
C224 C188 C71 C252 -178.7(11) . . . . ?
C224 C188 C71 C137 -2.1(19) . . . . ?
C224 C188 C37 Rh3 -119.4(12) . . . . ?
C224 C188 C37 C225 2(2) . . . . ?
C224 C188 C37 C113 -178.0(11) . . . . ?
C228 C230 C232 Rh2 -61.6(4) . . . . ?
C228 C230 C232 C234 0.0 . . . . ?
C228 C230 C232 C15 178.4(14) . . . . ?
C230 C228 C236 Rh2 59.7(4) . . . . ?
C230 C228 C236 C234 0.0 . . . . ?
C230 C228 C236 C241 175.1(13) . . . . ?
C230 C232 C234 Rh2 -62.0(4) . . . . ?
C230 C232 C234 C236 0.0 . . . . ?
C230 C232 C234 C239 176.0(13) . . . . ?
C232 C234 C236 Rh2 -60.8(4) . . . . ?
C232 C234 C236 C228 0.0 . . . . ?
C232 C234 C236 C241 -174.8(14) . . . . ?
C236 C228 C230 Rh2 -60.2(4) . . . . ?
C236 C228 C230 C232 0.0 . . . . ?
C236 C228 C230 C117 178.9(13) . . . . ?
C240 C149 C99 Rh12 61.5(10) . . . . ?
C240 C149 C99 C133 -2.0(17) . . . . ?
C240 C149 C99 C31 -177.6(14) . . . . ?
C242 C156 C222 C148 -1.1(18) . . . . ?
C242 C156 C222 C220 178.1(11) . . . . ?
C242 C156 C127 O11 1(2) . . . . ?
C242 C156 C127 C172 177.5(11) . . . . ?
C242 C194 C198 C148 3(2) . . . . ?
C246 C94 C170 Rh4 59.5(9) . . . . ?
C246 C94 C170 C200 0.8(15) . . . . ?
C246 C94 C170 C175 175.5(12) . . . . ?
C248 C174 C145 Rh6 61.0(8) . . . . ?
C248 C174 C145 C178 1.2(15) . . . . ?
C248 C174 C145 C141 72.6(11) . . . . ?
C248 C174 C145 C193 177.0(12) . . . . ?
C250 C172 C127 O11 -178.3(15) . . . . ?
C250 C172 C127 C156 5(2) . . . . ?
C250 C220 C222 C148 -176.3(11) . . . . ?
C250 C220 C222 C156 4.5(16) . . . . ?
C254 C114 C118 O32 -0.1(18) . . . . ?
C254 C114 C118 C7 -176.2(10) . . . . ?
C127 C156 C222 C148 179.4(11) . . . . ?
C127 C156 C222 C220 -1.4(17) . . . . ?
C127 C156 C242 O21 3(2) . . . . ?
C127 C156 C242 C194 -179.0(11) . . . . ?
C127 C172 C250 C220 -1(2) . . . . ?
C2 N16 C108 C64 -0.3(17) . . . . ?
C129 C196 C206 C107 177.8(11) . . . . ?
C65 C202 C57 N21 9(2) . . . 3_467 ?
C65 C202 C229 C87 -15(3) . . . . ?
C131 C142 C210 N23 178.9(13) . . . 3_467 ?
C33 N24 N21 C57 -175.1(13) . . . 3_467 ?
C67 N2 C139 C244 0.0(19) . . . . ?
C67 C43 C227 C244 1(2) . . . . ?
C67 C43 C227 C33 176.6(13) . . . . ?
C135 C178 C218 Rh6 -124.4(13) . . . . ?
C135 C178 C218 C248 175.8(12) . . . . ?
C135 C178 C218 C185 -6(2) . . . . ?
C135 C178 C145 Rh6 124.4(14) . . . . ?
C135 C178 C145 C174 -175.6(12) . . . . ?
C135 C178 C145 C141 114.4(15) . . . . ?
C135 C178 C145 C193 9(2) . . . . ?
C69 C94 C170 Rh4 -118.2(12) . . . . ?
C69 C94 C170 C200 -177.0(11) . . . . ?
C69 C94 C170 C175 -2(2) . . . . ?
C69 C94 C246 Rh4 118.0(13) . . . . ?
C69 C94 C246 C23 -6(2) . . . . ?
C69 C94 C246 C111 179.2(11) . . . . ?
C139 N2 C67 C43 1(2) . . . . ?
C139 C244 C227 C33 -175.7(11) . . . . ?
C139 C244 C227 C43 0(2) . . . . ?
C35 C176 C180 Rh8 59.2(10) . . . . ?
C35 C176 C180 C97 -177.6(15) . . . . ?
C35 C176 C180 C109 -3.3(16) . . . . ?
C35 C226 C109 Rh8 -56.7(10) . . . . ?
C35 C226 C109 C180 3.5(16) . . . . ?
C35 C226 C109 C223 -175.1(13) . . . . ?
C141 O20 C104 C16 24(2) . . . . ?
C141 O20 C104 C162 -154.4(14) . . . . ?
C71 C188 C37 Rh3 58.9(8) . . . . ?
C71 C188 C37 C225 -179.3(12) . . . . ?
C71 C188 C37 C113 0.3(14) . . . . ?
C71 C252 C113 Rh3 -58.2(9) . . . . ?
C71 C252 C113 C37 6.0(17) . . . . ?
C71 C252 C113 C201 -176.5(13) . . . . ?
C9 C56 C27 O12 -173.3(10) . . . . ?
C9 C56 C27 C72 5.3(18) . . . . ?
C145 C174 C248 Rh6 -60.9(8) . . . . ?
C145 C174 C248 C218 0.1(14) . . . . ?
C145 C174 C248 C147 176.4(11) . . . . ?
C145 C178 C218 Rh6 61.8(9) . . . . ?
C145 C178 C218 C248 2.0(15) . . . . ?
C145 C178 C218 C185 179.7(13) . . . . ?
O13 S1 C47 F1 174.5(12) . . . . ?
O13 S1 C47 F6 60.2(14) . . . . ?
O13 S1 C47 F8 -66.0(14) . . . . ?
C37 C188 C71 Rh3 -59.6(8) . . . . ?
C37 C188 C71 C252 3.0(13) . . . . ?
C37 C188 C71 C137 179.5(12) . . . . ?
C149 C240 C173 Rh12 -63.8(11) . . . . ?
C149 C240 C173 C138 -176.9(13) . . . . ?
C149 C240 C173 C133 -4.7(16) . . . . ?
C75 C151 C19 Rh7 -61.0(3) . . . . ?
C75 C151 C19 C153 0.0 . . . . ?
C75 C151 C19 C161 179.6(12) . . . . ?
C151 C75 C77 Rh7 61.3(3) . . . . ?
C151 C75 C77 C153 0.0 . . . . ?
C151 C75 C77 C25 178.7(12) . . . . ?
C151 C19 C153 Rh7 -60.1(4) . . . . ?
C151 C19 C153 C77 0.0 . . . . ?
C151 C19 C153 C45 -173.3(13) . . . . ?
C19 C153 C77 Rh7 -60.3(4) . . . . ?
C19 C153 C77 C75 0.0 . . . . ?
C19 C153 C77 C25 -178.8(12) . . . . ?
C77 C75 C151 Rh7 -61.8(4) . . . . ?
C77 C75 C151 C19 0.0 . . . . ?
C77 C75 C151 C169 -179.4(12) . . . . ?
C155 N19 C87 C229 2(2) . . . . ?
C39 C157 C79 Rh9 63.2(4) . . . . ?
C39 C157 C79 C159 0.0 . . . . ?
C39 C157 C79 C251 179.6(13) . . . . ?
C157 C39 C5 Rh9 -58.7(4) . . . . ?
C157 C39 C5 C159 0.0 . . . . ?
C157 C39 C5 C119 -177.6(13) . . . . ?
C157 C79 C159 Rh9 62.4(4) . . . . ?
C157 C79 C159 C5 0.0 . . . . ?
C157 C79 C159 C199 -174.8(13) . . . . ?
C79 C159 C5 Rh9 59.6(4) . . . . ?
C79 C159 C5 C39 0.0 . . . . ?
C79 C159 C5 C119 177.6(13) . . . . ?
C5 C39 C157 Rh9 60.9(4) . . . . ?
C5 C39 C157 C79 0.0 . . . . ?
C5 C39 C157 C237 179.9(13) . . . . ?
C161 C19 C153 Rh7 120.3(11) . . . . ?
C161 C19 C153 C77 -179.6(12) . . . . ?
C161 C19 C153 C45 7.1(15) . . . . ?
C81 C226 C35 Rh8 -114.0(14) . . . . ?
C81 C226 C35 C176 -177.7(13) . . . . ?
C81 C226 C35 C115 6(2) . . . . ?
C81 C226 C109 Rh8 115.8(14) . . . . ?
C81 C226 C109 C180 176.0(13) . . . . ?
C81 C226 C109 C223 -3(2) . . . . ?
C163 C41 C165 Rh5 59.4(4) . . . . ?
C163 C41 C165 C83 0.0 . . . . ?
C163 C41 C165 C235 175.0(17) . . . . ?
C41 C163 C167 Rh5 -63.6(5) . . . . ?
C41 C163 C167 C83 0.0 . . . . ?
C41 C163 C167 C3 178.6(15) . . . . ?
C41 C165 C83 Rh5 58.0(5) . . . . ?
C41 C165 C83 C167 0.0 . . . . ?
C41 C165 C83 C195 -178.6(13) . . . . ?
C165 C83 C167 Rh5 60.5(4) . . . . ?
C165 C83 C167 C163 0.0 . . . . ?
C165 C83 C167 C3 -178.6(15) . . . . ?
C167 C163 C41 Rh5 62.8(5) . . . . ?
C167 C163 C41 C165 0.0 . . . . ?
C167 C163 C41 C59 178.1(13) . . . . ?
O27 S4 C179 F4 -163.7(13) . . . . ?
O27 S4 C179 F10 98.1(15) . . . . ?
O27 S4 C179 F12 -38.0(18) . . . . ?
C21 C163 C41 Rh5 -118.1(17) . . . . ?
C21 C163 C41 C165 179.1(18) . . . . ?
C21 C163 C41 C59 -2.8(19) . . . . ?
C21 C163 C167 Rh5 117.2(14) . . . . ?
C21 C163 C167 C83 -179.2(16) . . . . ?
C21 C163 C167 C3 -0.7(19) . . . . ?
C169 C151 C19 Rh7 118.4(10) . . . . ?
C169 C151 C19 C153 179.4(12) . . . . ?
C169 C151 C19 C161 -1.0(15) . . . . ?
C85 C149 C99 Rh12 -110.6(14) . . . . ?
C85 C149 C99 C133 -174.1(14) . . . . ?
C85 C149 C99 C31 10(2) . . . . ?
N21 N24 C33 C227 -179.7(11) . . . . ?
C171 C146 C192 Rh10 -117.6(13) . . . . ?
C171 C146 C192 C212 -179.8(12) . . . . ?
C171 C146 C192 C49 3(2) . . . . ?
C171 C146 C181 Rh10 118.7(14) . . . . ?
C171 C146 C181 C208 -3(2) . . . . ?
C171 C146 C181 C29 179.0(12) . . . . ?
C173 C240 C149 Rh12 62.7(9) . . . . ?
C173 C240 C149 C85 175.0(15) . . . . ?
C173 C240 C149 C99 3.8(15) . . . . ?
C173 C133 C99 Rh12 -62.9(10) . . . . ?
C173 C133 C99 C149 -0.9(16) . . . . ?
C173 C133 C99 C31 174.0(15) . . . . ?
C87 N19 C155 C65 -7(2) . . . . ?
C175 C170 C200 Rh4 -114.2(12) . . . . ?
C175 C170 C200 C89 6(2) . . . . ?
C175 C170 C200 C111 -177.7(12) . . . . ?
C11 C133 C173 Rh12 -125.0(15) . . . . ?
C11 C133 C173 C138 -10(2) . . . . ?
C11 C133 C173 C240 177.8(13) . . . . ?
C11 C133 C99 Rh12 122.0(14) . . . . ?
C11 C133 C99 C149 -176.0(12) . . . . ?
C11 C133 C99 C31 -1(3) . . . . ?
C177 C240 C149 Rh12 -125.2(14) . . . . ?
C177 C240 C149 C85 -13(3) . . . . ?
C177 C240 C149 C99 175.9(12) . . . . ?
C177 C240 C173 Rh12 124.5(14) . . . . ?
C177 C240 C173 C138 11(2) . . . . ?
C177 C240 C173 C133 -176.3(13) . . . . ?
C89 C200 C111 Rh4 -121.2(14) . . . . ?
C89 C200 C111 C246 179.6(12) . . . . ?
C89 C200 C111 C143 -5(2) . . . . ?
C45 C153 C77 Rh7 113.0(11) . . . . ?
C45 C153 C77 C75 173.3(12) . . . . ?
C45 C153 C77 C25 -5.4(15) . . . . ?
C181 C146 C192 Rh10 60.3(9) . . . . ?
C181 C146 C192 C212 -1.9(14) . . . . ?
C181 C146 C192 C49 -179.4(13) . . . . ?
C91 C259 C261 C219 178.2(13) . . . 3_577 ?
C183 C176 C180 Rh8 -115.3(13) . . . . ?
C183 C176 C180 C97 8(3) . . . . ?
C183 C176 C180 C109 -177.8(12) . . . . ?
C183 C176 C35 Rh8 114.1(14) . . . . ?
C183 C176 C35 C226 179.8(13) . . . . ?
C183 C176 C35 C115 -3(2) . . . . ?
C23 C246 C111 Rh4 123.0(12) . . . . ?
C23 C246 C111 C200 -178.4(12) . . . . ?
C23 C246 C111 C143 6(2) . . . . ?
C185 C218 C248 Rh6 -118.3(14) . . . . ?
C185 C218 C248 C174 -179.0(13) . . . . ?
C185 C218 C248 C147 5(2) . . . . ?
C93 C228 C230 Rh2 122.2(12) . . . . ?
C93 C228 C230 C232 -177.6(13) . . . . ?
C93 C228 C230 C117 1.4(17) . . . . ?
C93 C228 C236 Rh2 -122.5(10) . . . . ?
C93 C228 C236 C234 177.8(12) . . . . ?
C93 C228 C236 C241 -7.1(15) . . . . ?
C187 N7 N11 C91 174(2) . . . . ?
C187 C44 C46 C48 -179.1(10) . . . . ?
N11 N7 C187 C44 -178.0(11) . . . . ?
N11 C91 C259 C186 9(3) . . . 3_577 ?
N11 C91 C259 C261 -173.7(15) . . . . ?
C189 C39 C157 Rh9 -117.6(11) . . . . ?
C189 C39 C157 C79 -178.5(13) . . . . ?
C189 C39 C157 C237 1.4(16) . . . . ?
C189 C39 C5 Rh9 119.8(11) . . . . ?
C189 C39 C5 C159 178.5(13) . . . . ?
C189 C39 C5 C119 0.8(16) . . . . ?
C95 C61 C245 Rh11 118.1(15) . . . . ?
C95 C61 C245 C197 -2(2) . . . . ?
C95 C61 C245 C123 170.4(17) . . . . ?
C191 C243 C61 Rh11 120.4(13) . . . . ?
C191 C243 C61 C95 7.1(19) . . . . ?
C191 C243 C61 C245 177.7(14) . . . . ?
C97 C180 C109 Rh8 -123.8(15) . . . . ?
C97 C180 C109 C226 175.0(13) . . . . ?
C97 C180 C109 C223 -6(2) . . . . ?
C195 C83 C167 Rh5 -121.1(13) . . . . ?
C195 C83 C167 C163 178.4(14) . . . . ?
C195 C83 C167 C3 -0.2(18) . . . . ?
O7 S4 C179 F4 -42.6(15) . . . . ?
O7 S4 C179 F10 -140.7(16) . . . . ?
O7 S4 C179 F12 83.2(18) . . . . ?
C49 C192 C212 Rh10 -119.9(15) . . . . ?
C49 C192 C212 C203 -3(2) . . . . ?
C49 C192 C212 C29 179.4(13) . . . . ?
C197 C245 C123 Rh11 112.8(14) . . . . ?
C197 C245 C123 C121 172.3(16) . . . . ?
C197 C245 C123 C249 -2.8(18) . . . . ?
C99 C133 C173 Rh12 60.3(10) . . . . ?
C99 C133 C173 C138 175.3(13) . . . . ?
C99 C133 C173 C240 3.1(15) . . . . ?
C199 C159 C5 Rh9 -125.3(11) . . . . ?
C199 C159 C5 C39 175.1(12) . . . . ?
C199 C159 C5 C119 -7.3(16) . . . . ?
C101 C13 C209 Rh1 118.3(12) . . . . ?
C101 C13 C209 C182 -1.5(15) . . . . ?
C101 C13 C209 C105 178.0(13) . . . . ?
C203 C212 C29 Rh10 -117.7(14) . . . . ?
C203 C212 C29 C168 3(2) . . . . ?
C203 C212 C29 C181 -179.1(13) . . . . ?
C51 C121 C243 Rh11 109.6(12) . . . . ?
C51 C121 C243 C191 1.4(17) . . . . ?
C51 C121 C243 C61 179.0(14) . . . . ?
C51 C121 C123 Rh11 -107.8(15) . . . . ?
C51 C121 C123 C245 -178.8(17) . . . . ?
C51 C121 C123 C249 -5(2) . . . . ?
C205 C75 C151 Rh7 116.6(10) . . . . ?
C205 C75 C151 C19 178.4(12) . . . . ?
C205 C75 C151 C169 -1.0(14) . . . . ?
C205 C75 C77 Rh7 -117.1(10) . . . . ?
C205 C75 C77 C153 -178.4(12) . . . . ?
C205 C75 C77 C25 0.3(15) . . . . ?
C103 C207 C13 Rh1 -60.4(3) . . . . ?
C103 C207 C13 C101 -178.0(13) . . . . ?
C103 C207 C13 C209 0.0 . . . . ?
C207 C103 C105 Rh1 62.0(3) . . . . ?
C207 C103 C105 C73 177.3(10) . . . . ?
C207 C103 C105 C209 0.0 . . . . ?
C207 C13 C209 Rh1 -59.7(3) . . . . ?
C207 C13 C209 C182 -179.5(12) . . . . ?
C207 C13 C209 C105 0.0 . . . . ?
C13 C209 C105 Rh1 -60.7(3) . . . . ?
C13 C209 C105 C73 -177.3(10) . . . . ?
C13 C209 C105 C103 0.0 . . . . ?
C105 C103 C207 Rh1 -61.8(3) . . . . ?
C105 C103 C207 C13 0.0 . . . . ?
C105 C103 C207 C125 175.8(11) . . . . ?
C53 C70 C190 N18 -0.8(18) . . . . ?
C107 N10 C124 C96 2.8(16) . . . . ?
C215 N12 C110 C92 -3.5(15) . . . . ?
C27 C56 C9 C254 -1.1(17) . . . . ?
C27 C72 C114 C118 175.4(10) . . . . ?
C27 C72 C114 C254 -5.1(16) . . . . ?
C27 C72 C126 O30 1.6(18) . . . . ?
C27 C72 C126 C238 -175.2(10) . . . . ?
C217 N4 C54 C130 0.7(15) . . . . ?
C109 C226 C35 Rh8 58.2(10) . . . . ?
C109 C226 C35 C176 -5.5(16) . . . . ?
C109 C226 C35 C115 177.7(14) . . . . ?
C219 N5 C260 C186 4.3(15) . . . . ?
C55 N22 N15 C136 -178.8(10) . . . . ?
C55 C158 C17 C164 -179.4(11) 3_557 . . . ?
C221 C78 C84 O10 176.5(11) . . . . ?
C221 C78 C84 C30 -4.9(15) . . . . ?
C225 C37 C113 Rh3 -119.9(14) . . . . ?
C225 C37 C113 C252 175.8(13) . . . . ?
C225 C37 C113 C201 -2(2) . . . . ?
C113 C252 C71 Rh3 57.5(10) . . . . ?
C113 C252 C71 C188 -5.4(14) . . . . ?
C113 C252 C71 C137 178.7(14) . . . . ?
C227 C244 C139 N2 -0.8(19) . . . . ?
C57 C202 C65 C155 -178.6(12) . . . . ?
C57 C202 C229 C87 174.5(13) . . . . ?
C229 C202 C65 C155 10(3) . . . . ?
C229 C202 C57 N21 -178.7(15) . . . 3_467 ?
O29 C1 C16 C76 -177.1(9) . . . . ?
O29 C1 C16 C104 4.3(16) . . . . ?
O29 C1 C22 C90 177.3(9) . . . . ?
C231 C18 C64 C108 -3.5(16) . . . . ?
C231 C18 C106 N13 176.8(11) . . . . ?
C233 C174 C248 Rh6 118.8(14) . . . . ?
C233 C174 C248 C218 179.8(13) . . . . ?
C233 C174 C248 C147 -4(2) . . . . ?
C233 C174 C145 Rh6 -118.8(13) . . . . ?
C233 C174 C145 C178 -178.5(13) . . . . ?
C233 C174 C145 C141 -107.1(15) . . . . ?
C233 C174 C145 C193 -3(2) . . . . ?
C117 C230 C232 Rh2 119.4(11) . . . . ?
C117 C230 C232 C234 -178.9(13) . . . . ?
C117 C230 C232 C15 -0.5(16) . . . . ?
C235 C165 C83 Rh5 -117.4(14) . . . . ?
C235 C165 C83 C167 -175.4(15) . . . . ?
C235 C165 C83 C195 6.0(17) . . . . ?
C59 C41 C165 Rh5 -117.9(18) . . . . ?
C59 C41 C165 C83 -177.3(19) . . . . ?
C59 C41 C165 C235 -2(2) . . . . ?
C237 C157 C79 Rh9 -116.6(12) . . . . ?
C237 C157 C79 C159 -179.9(13) . . . . ?
C237 C157 C79 C251 -0.3(16) . . . . ?
O15 S4 C179 F4 79.5(14) . . . . ?
O15 S4 C179 F10 -18.7(16) . . . . ?
O15 S4 C179 F12 -154.8(17) . . . . ?
C239 C234 C236 Rh2 123.0(12) . . . . ?
C239 C234 C236 C228 -176.2(13) . . . . ?
C239 C234 C236 C241 9.1(17) . . . . ?
C15 C232 C234 Rh2 119.6(13) . . . . ?
C15 C232 C234 C236 -178.4(14) . . . . ?
C15 C232 C234 C239 -2.4(18) . . . . ?
C121 C243 C61 Rh11 -57.3(4) . . . . ?
C121 C243 C61 C95 -170.6(16) . . . . ?
C121 C243 C61 C245 0.0 . . . . ?
C243 C121 C123 Rh11 71.0(5) . . . . ?
C243 C121 C123 C245 0.0 . . . . ?
C243 C121 C123 C249 174.0(17) . . . . ?
C243 C61 C245 Rh11 -52.3(4) . . . . ?
C243 C61 C245 C197 -172.2(16) . . . . ?
C243 C61 C245 C123 0.0 . . . . ?
C61 C245 C123 Rh11 -59.5(4) . . . . ?
C61 C245 C123 C121 0.0 . . . . ?
C61 C245 C123 C249 -175.0(14) . . . . ?
C123 C121 C243 Rh11 -69.4(5) . . . . ?
C123 C121 C243 C191 -177.6(15) . . . . ?
C123 C121 C243 C61 0.0 . . . . ?
C247 C103 C207 Rh1 119.7(12) . . . . ?
C247 C103 C207 C13 -178.4(13) . . . . ?
C247 C103 C207 C125 -2.7(16) . . . . ?
C247 C103 C105 Rh1 -119.4(11) . . . . ?
C247 C103 C105 C73 -4.1(14) . . . . ?
C247 C103 C105 C209 178.6(12) . . . . ?
C125 C207 C13 Rh1 123.8(10) . . . . ?
C125 C207 C13 C101 6.2(15) . . . . ?
C125 C207 C13 C209 -175.8(11) . . . . ?
O31 S2 C253 F3 175.7(16) . . . . ?
O31 S2 C253 F7 56.9(17) . . . . ?
O31 S2 C253 F2 -58.6(17) . . . . ?
O2 S2 C253 F3 -64.7(17) . . . . ?
O2 S2 C253 F7 176.5(15) . . . . ?
O2 S2 C253 F2 61.1(16) . . . . ?
O33 S2 C253 F3 55.7(17) . . . . ?
O33 S2 C253 F7 -63.1(17) . . . . ?
O33 S2 C253 F2 -178.6(15) . . . . ?
C251 C79 C159 Rh9 -117.1(13) . . . . ?
C251 C79 C159 C5 -179.5(14) . . . . ?
C251 C79 C159 C199 5.7(17) . . . . ?
O17 S3 C63 F9 -54.8(15) . . . . ?
O17 S3 C63 F5 65.0(14) . . . . ?
O17 S3 C63 F11 -174.6(14) . . . . ?
O35 S3 C63 F9 179.3(14) . . . . ?
O35 S3 C63 F5 -60.8(15) . . . . ?
O35 S3 C63 F11 59.6(16) . . . . ?
O9 S3 C63 F9 56.3(15) . . . . ?
O9 S3 C63 F5 176.1(13) . . . . ?
O9 S3 C63 F11 -63.5(15) . . . . ?
O46 S7 C258 F17 178.2(18) . . . . ?
O46 S7 C258 F37 50.2(18) . . . . ?
O46 S7 C258 F51 -60.6(17) . . . . ?
O44 S7 C258 F17 -55.1(19) . . . . ?
O44 S7 C258 F37 176.9(17) . . . . ?
O44 S7 C258 F51 66.0(17) . . . . ?
O43 S8 C262 F15 145.6(16) . . . . ?
O43 S8 C262 F31 -103(2) . . . . ?
O43 S8 C262 F104 31.8(18) . . . . ?
O50 S8 C262 F15 -72.0(15) . . . . ?
O50 S8 C262 F31 40(2) . . . . ?
O50 S8 C262 F104 174.2(15) . . . . ?
O53 S7 C258 F17 63.4(19) . . . . ?
O53 S7 C258 F37 -64.6(19) . . . . ?
O53 S7 C258 F51 -175.4(17) . . . . ?
C259 C91 N11 N7 176.3(12) . . . . ?
C186 C259 C261 C219 -4(3) 3_577 . . 3_577 ?
O47 S8 C262 F15 29.6(15) . . . . ?
O47 S8 C262 F31 141.3(19) . . . . ?
O47 S8 C262 F104 -84.2(15) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 3068 electrons were 
found in a volume of 9729Å³ in 5 voids per unit cell. 
This is consistent with the presence of 
0.9[CH3OH], 10[CF3SO3], 0.7[CH3OH], 0.9[CH3OH] per Asymmetric Unit 
which account for 3100 electrons 
per unit cell.
;
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 0.000 0.000 0.000 173.2 27.6 '1.8 CH3OH'
2 -0.429 -0.865 -0.832 8731.0 2907.8 '40 CF3SO3'
3 0.000 0.500 0.500 173.2 27.6 '1.8 CH3OH'
4 0.319 0.767 0.024 21.7 -1.0 ?
5 0.319 0.733 0.524 21.7 -1.0 ?
6 0.500 0.000 0.000 114.8 26.0 '1.4 CH3OH'
7 0.500 0.500 0.500 114.8 26.0 '1.4 CH3OH'
8 0.500 0.500 0.000 167.2 28.1 '1.8 CH3OH'
9 0.500 0.000 0.500 167.2 28.1 '1.8 CH3OH'
10 0.681 0.267 0.476 21.7 -1.0 ?
11 0.681 0.233 0.976 21.7 -1.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p-1
_database_code_depnum_ccdc_archive 'CCDC 2184767'
loop_
_audit_author_name
_audit_author_address
'lilong Dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_audit_creation_date             2021-12-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C68 H80 N8 O8 Rh4, 4(C F3 O3 S), 8[CH3OH]'
_chemical_formula_sum            'C80 H112 F12 N8 O28 Rh4 S4'
_chemical_formula_weight         2401.65
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   12.2741(4)
_cell_length_b                   14.5553(6)
_cell_length_c                   15.9583(6)
_cell_angle_alpha                114.615(4)
_cell_angle_beta                 97.597(3)
_cell_angle_gamma                101.737(3)
_cell_volume                     2461.21(18)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7583
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      28.5290
_cell_measurement_theta_min      2.2930
_shelx_estimated_absorpt_T_max   0.849
_shelx_estimated_absorpt_T_min   0.823
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_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    1.620
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16583
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.286
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -55.00  40.00   1.00    4.00    --   11.90 -57.00 -30.00   95
  2  ω    -18.00  81.00   1.00    4.00    --   11.90  77.00-120.00   99
  3  ω    -15.00  85.00   1.00    4.00    --   11.90  57.00 120.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0255571000
_diffrn_orient_matrix_UB_12      0.0523208000
_diffrn_orient_matrix_UB_13      0.0083818000
_diffrn_orient_matrix_UB_21      0.0020089000
_diffrn_orient_matrix_UB_22      -0.0189531000
_diffrn_orient_matrix_UB_23      -0.0483771000
_diffrn_orient_matrix_UB_31      -0.0551941000
_diffrn_orient_matrix_UB_32      0.0058405000
_diffrn_orient_matrix_UB_33      -0.0114255000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6966
_reflns_number_total             8668
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         4.262
_refine_diff_density_min         -2.559
_refine_diff_density_rms         0.181
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         8668
_refine_ls_number_restraints     560
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0818
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1340P)²+19.7312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2237
_refine_ls_wR_factor_ref         0.2397
_refine_special_details          ?
_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
 S1-C17 = S2-C9
 1.78 with sigma of 0.02
 F2-C9 = F3-C9 = F5-C9 = F1-C17 = F4-C17 = F6-C17
 1.31 with sigma of 0.02
 S2-O5 = S2-O9 = S2-O2 = S1-O3 = S1-O10 = S1-O11
 1.43 with sigma of 0.02
 S2-F2
 2.57 with sigma of 0.02
 S2-C9
 1.77 with sigma of 0.02
 F3-F2 = F2-F5
 2.1 with sigma of 0.02
 F3-F5
 2.1 with sigma of 0.02
 O9-C9
 2.6 with sigma of 0.01
 O2-C9
 2.6 with sigma of 0.01
 O5-C9
 2.6 with sigma of 0.01
 F3-S2
 2.6 with sigma of 0.01
 F5-S2
 2.6 with sigma of 0.01
 F2-S2
 2.6 with sigma of 0.01
 F5-F2 = F2-F3
 2.2 with sigma of 0.02
 F5-F3
 2.2 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 have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
5.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C20(H20), C24(H24), C26(H26), C28(H28), C30(H30), C32(H32),
 C34(H34), C5(H5), C7(H7)
5.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C37(H37A,H37B,H37C), C11(H11A,H11B,H11C), C13(H13A,H13B,
 H13C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C15(H15A,H15B,H15C), C31(H31A,
 H31B,H31C), C2(H2A,H2B,H2C), C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.40977(5) 0.62670(4) 0.37814(4) 0.0238(2) Uani 1 1 d . U . . .
Rh2 Rh 0.60841(5) 0.37331(5) 0.11699(4) 0.0305(2) Uani 1 1 d . U . . .
S1 S -0.0836(3) 0.2650(3) -0.1412(2) 0.0710(8) Uani 1 1 d D U . . .
O1 O 0.5122(4) 0.5216(4) 0.3645(3) 0.0261(10) Uani 1 1 d . U . . .
O4 O 0.5916(4) 0.4191(4) 0.2590(3) 0.0257(10) Uani 1 1 d . U . . .
O6 O 0.5393(5) 0.5033(4) 0.1432(4) 0.0315(11) Uani 1 1 d . U . . .
O8 O 0.4658(5) 0.6111(4) 0.2516(4) 0.0316(11) Uani 1 1 d . U . . .
N1 N -0.2762(5) -0.4890(5) -0.2816(4) 0.0284(12) Uani 1 1 d . U . . .
N4 N 0.4367(6) 0.2788(5) 0.0770(5) 0.0385(14) Uani 1 1 d . U . . .
C1 C 0.5136(6) 0.5393(6) 0.2223(5) 0.0269(13) Uani 1 1 d . U . . .
C4 C 0.5416(6) 0.4885(6) 0.2868(5) 0.0246(13) Uani 1 1 d . U . . .
C6 C 0.3538(7) 0.6755(7) 0.5051(5) 0.0335(15) Uani 1 1 d . U . . .
C8 C 0.4738(7) 0.7195(6) 0.5293(5) 0.0318(14) Uani 1 1 d . U . . .
C10 C 0.3025(7) 0.7170(7) 0.4468(5) 0.0344(15) Uani 1 1 d . U . . .
N2 N 0.0107(6) -0.1308(6) -0.1075(6) 0.0498(18) Uani 1 1 d . U . . .
C12 C 0.4077(7) 0.2066(6) 0.1089(6) 0.0364(16) Uani 1 1 d . U . . .
H12 H 0.458429 0.211382 0.160315 0.044 Uiso 1 1 calc R U . . .
C14 C 0.2898(8) 0.6037(8) 0.5385(6) 0.047(2) Uani 1 1 d . U . . .
H14A H 0.221807 0.556026 0.490152 0.070 Uiso 1 1 calc R U . . .
H14B H 0.268907 0.644723 0.595471 0.070 Uiso 1 1 calc R U . . .
H14C H 0.337705 0.564139 0.551267 0.070 Uiso 1 1 calc R U . . .
C16 C -0.1022(7) -0.3058(7) -0.1567(6) 0.0363(16) Uani 1 1 d . U . . .
C18 C 0.5008(7) 0.7843(7) 0.4842(6) 0.0369(15) Uani 1 1 d . U . . .
C20 C -0.0065(7) -0.2103(7) -0.0925(6) 0.0435(18) Uani 1 1 d . U . . .
H20 H 0.040723 -0.208997 -0.041189 0.052 Uiso 1 1 calc R U . . .
C22 C 0.3935(7) 0.7825(7) 0.4317(6) 0.0363(15) Uani 1 1 d . U . . .
C24 C -0.1221(7) -0.3964(7) -0.1431(6) 0.0392(17) Uani 1 1 d . U . . .
H24 H -0.077280 -0.396282 -0.091278 0.047 Uiso 1 1 calc R U . . .
C26 C -0.2083(7) -0.4854(7) -0.2070(5) 0.0325(15) Uani 1 1 d . U . . .
H26 H -0.219713 -0.545414 -0.197795 0.039 Uiso 1 1 calc R U . . .
N3 N 0.1083(6) -0.0509(6) -0.0434(6) 0.0516(19) Uani 1 1 d . U . . .
C28 C 0.3058(7) 0.1260(7) 0.0686(7) 0.0417(18) Uani 1 1 d . U . . .
H28 H 0.288184 0.078638 0.093185 0.050 Uiso 1 1 calc R U . . .
F1 F -0.1434(8) 0.1052(7) -0.3090(7) 0.130(4) Uani 1 1 d D U . . .
C30 C 0.3594(8) 0.2729(7) 0.0047(7) 0.048(2) Uani 1 1 d . U . . .
H30 H 0.375576 0.324527 -0.015382 0.058 Uiso 1 1 calc R U . . .
C32 C -0.1715(7) -0.3101(7) -0.2343(6) 0.0380(17) Uani 1 1 d . U . . .
H32 H -0.161126 -0.251414 -0.245466 0.046 Uiso 1 1 calc R U . . .
C34 C -0.2568(7) -0.4022(7) -0.2956(6) 0.0374(17) Uani 1 1 d . U . . .
H34 H -0.302316 -0.404460 -0.348243 0.045 Uiso 1 1 calc R U . . .
O10 O -0.1420(10) 0.3185(7) -0.1785(6) 0.098(3) Uani 1 1 d D U . . .
C36 C 0.7268(9) 0.4096(9) 0.0401(7) 0.0526(18) Uani 1 1 d . U . . .
C37 C 0.5595(8) 0.6960(7) 0.5887(6) 0.043(2) Uani 1 1 d . U . . .
H37A H 0.532213 0.624032 0.576842 0.065 Uiso 1 1 calc R U . . .
H37B H 0.568947 0.742038 0.654791 0.065 Uiso 1 1 calc R U . . .
H37C H 0.631861 0.707114 0.572328 0.065 Uiso 1 1 calc R U . . .
C19 C 0.2302(8) 0.1169(7) -0.0094(7) 0.0480(19) Uani 1 1 d . U . . .
C5 C 0.2578(9) 0.1933(8) -0.0402(8) 0.058(2) Uani 1 1 d . U . . .
H5 H 0.207873 0.190523 -0.090930 0.069 Uiso 1 1 calc R U . . .
C21 C 0.7881(9) 0.4241(9) 0.1290(8) 0.0558(19) Uani 1 1 d . U . . .
O11 O 0.0287(9) 0.3206(9) -0.0825(7) 0.116(4) Uani 1 1 d D U . . .
C11 C 0.1768(8) 0.6943(9) 0.4083(7) 0.055(2) Uani 1 1 d . U . . .
H11A H 0.163155 0.684884 0.344236 0.082 Uiso 1 1 calc R U . . .
H11B H 0.150761 0.752244 0.446914 0.082 Uiso 1 1 calc R U . . .
H11C H 0.135729 0.631141 0.409130 0.082 Uiso 1 1 calc R U . . .
C23 C 0.6781(10) 0.2488(9) 0.0415(8) 0.0558(19) Uani 1 1 d . U . . .
C3 C 0.6582(10) 0.3046(9) -0.0136(7) 0.0569(19) Uani 1 1 d . U . . .
C25 C 0.7590(9) 0.3231(10) 0.1303(8) 0.0569(18) Uani 1 1 d . U . . .
C13 C 0.7286(10) 0.4921(9) 0.0090(8) 0.063(3) Uani 1 1 d . U . . .
H13A H 0.658960 0.472052 -0.037826 0.095 Uiso 1 1 calc R U . . .
H13B H 0.793069 0.500138 -0.018034 0.095 Uiso 1 1 calc R U . . .
H13C H 0.734803 0.557664 0.062595 0.095 Uiso 1 1 calc R U . . .
C27 C 0.3814(10) 0.8403(8) 0.3755(7) 0.056(2) Uani 1 1 d . U . . .
H27A H 0.446039 0.845596 0.348157 0.084 Uiso 1 1 calc R U . . .
H27B H 0.377973 0.909709 0.416075 0.084 Uiso 1 1 calc R U . . .
H27C H 0.312159 0.803089 0.325735 0.084 Uiso 1 1 calc R U . . .
C7 C 0.1283(8) 0.0262(7) -0.0631(8) 0.056(2) Uani 1 1 d . U . . .
H7 H 0.077355 0.024837 -0.112519 0.067 Uiso 1 1 calc R U . . .
C29 C 0.7995(11) 0.2997(12) 0.2087(9) 0.077(3) Uani 1 1 d . U . . .
H29A H 0.872827 0.286777 0.205483 0.116 Uiso 1 1 calc R U . . .
H29B H 0.745381 0.238408 0.203073 0.116 Uiso 1 1 calc R U . . .
H29C H 0.806524 0.358799 0.268490 0.116 Uiso 1 1 calc R U . . .
O3 O -0.1538(9) 0.1992(9) -0.1096(8) 0.106(3) Uani 1 1 d D U . . .
F4 F 0.0061(9) 0.1132(8) -0.2259(8) 0.149(4) Uani 1 1 d D U . . .
C15 C 0.6168(9) 0.8460(8) 0.4938(8) 0.058(3) Uani 1 1 d . U . . .
H15A H 0.669401 0.805154 0.492971 0.087 Uiso 1 1 calc R U . . .
H15B H 0.640181 0.909675 0.552834 0.087 Uiso 1 1 calc R U . . .
H15C H 0.616474 0.863317 0.442013 0.087 Uiso 1 1 calc R U . . .
C31 C 0.5850(12) 0.2530(11) -0.1111(8) 0.079(3) Uani 1 1 d . U . . .
H31A H 0.507377 0.225024 -0.110459 0.118 Uiso 1 1 calc R U . . .
H31B H 0.612167 0.196627 -0.151017 0.118 Uiso 1 1 calc R U . . .
H31C H 0.587834 0.303572 -0.135187 0.118 Uiso 1 1 calc R U . . .
C2 C 0.6297(13) 0.1343(9) 0.0132(10) 0.082(3) Uani 1 1 d . U . . .
H2A H 0.627371 0.124819 0.069110 0.122 Uiso 1 1 calc R U . . .
H2B H 0.677140 0.095347 -0.021176 0.122 Uiso 1 1 calc R U . . .
H2C H 0.553384 0.109042 -0.026386 0.122 Uiso 1 1 calc R U . . .
C33 C 0.8722(9) 0.5244(11) 0.2030(10) 0.080(3) Uani 1 1 d . U . . .
H33A H 0.893145 0.518217 0.260107 0.120 Uiso 1 1 calc R U . . .
H33B H 0.838205 0.581273 0.215981 0.120 Uiso 1 1 calc R U . . .
H33C H 0.939406 0.538508 0.180522 0.120 Uiso 1 1 calc R U . . .
F6 F 0.0146(11) 0.2223(10) -0.2842(8) 0.151(4) Uani 1 1 d D U . . .
C17 C -0.0518(12) 0.1722(10) -0.2454(9) 0.097(3) Uani 1 1 d D U . . .
S2 S 0.4031(7) 0.9424(5) 0.7433(5) 0.194(3) Uani 1 1 d D U . . .
O2 O 0.4926(13) 0.9753(14) 0.7038(11) 0.226(6) Uani 1 1 d D U . . .
O9 O 0.3849(15) 0.9908(11) 0.8359(8) 0.196(5) Uani 1 1 d D U . . .
O5 O 0.4170(17) 0.8431(12) 0.7285(11) 0.229(6) Uani 1 1 d D U . . .
C9 C 0.2684(11) 0.9170(14) 0.6641(10) 0.246(5) Uani 1 1 d D U . . .
F3 F 0.1947(9) 0.9397(9) 0.7172(5) 0.192(4) Uani 1 1 d D U . . .
F2 F 0.2221(13) 0.8116(9) 0.6129(11) 0.314(8) Uani 1 1 d D U . . .
F5 F 0.2814(14) 0.9636(13) 0.6097(9) 0.264(7) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.132(5) . ?
Rh1 O8 2.157(5) . ?
Rh1 N1 2.122(6) 2 ?
Rh1 C6 2.109(8) . ?
Rh1 C8 2.148(8) . ?
Rh1 C10 2.133(8) . ?
Rh1 C18 2.145(8) . ?
Rh1 C22 2.128(8) . ?
Rh2 O4 2.131(5) . ?
Rh2 O6 2.136(5) . ?
Rh2 N4 2.115(7) . ?
Rh2 C36 2.143(9) . ?
Rh2 C21 2.134(10) . ?
Rh2 C23 2.134(9) . ?
Rh2 C3 2.137(9) . ?
Rh2 C25 2.138(9) . ?
S1 O10 1.407(8) . ?
S1 O11 1.416(9) . ?
S1 O3 1.448(10) . ?
S1 C17 1.804(12) . ?
O1 C4 1.262(9) . ?
O4 C4 1.243(9) . ?
O6 C1 1.260(9) . ?
O8 C1 1.253(9) . ?
N1 C26 1.337(10) . ?
N1 C34 1.352(10) . ?
N4 C12 1.354(11) . ?
N4 C30 1.354(11) . ?
C1 C4 1.539(10) . ?
C6 C8 1.410(11) . ?
C6 C10 1.447(11) . ?
C6 C14 1.495(12) . ?
C8 C18 1.420(11) . ?
C8 C37 1.508(11) . ?
C10 C22 1.430(12) . ?
C10 C11 1.497(12) . ?
N2 C20 1.258(12) . ?
N2 N3 1.397(10) . ?
C12 H12 0.9300 . ?
C12 C28 1.384(11) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C16 C20 1.480(12) . ?
C16 C24 1.402(12) . ?
C16 C32 1.378(12) . ?
C18 C22 1.455(12) . ?
C18 C15 1.470(13) . ?
C20 H20 0.9300 . ?
C22 C27 1.475(12) . ?
C24 H24 0.9300 . ?
C24 C26 1.377(12) . ?
C26 H26 0.9300 . ?
N3 C7 1.272(13) . ?
C28 H28 0.9300 . ?
C28 C19 1.391(13) . ?
F1 C17 1.293(13) . ?
C30 H30 0.9300 . ?
C30 C5 1.376(13) . ?
C32 H32 0.9300 . ?
C32 C34 1.384(12) . ?
C34 H34 0.9300 . ?
C36 C21 1.424(15) . ?
C36 C3 1.405(16) . ?
C36 C13 1.476(13) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C19 C5 1.392(15) . ?
C19 C7 1.464(13) . ?
C5 H5 0.9300 . ?
C21 C25 1.450(15) . ?
C21 C33 1.490(17) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C23 C3 1.454(13) . ?
C23 C25 1.441(17) . ?
C23 C2 1.495(16) . ?
C3 C31 1.474(16) . ?
C25 C29 1.479(14) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C7 H7 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
F4 C17 1.325(12) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
F6 C17 1.358(14) . ?
S2 O2 1.434(11) . ?
S2 O9 1.419(11) . ?
S2 O5 1.415(12) . ?
S2 C9 1.810(11) . ?
C9 F3 1.318(15) . ?
C9 F2 1.349(15) . ?
C9 F5 1.312(14) . ?

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 O8 77.81(18) . . ?
O1 Rh1 C8 95.3(2) . . ?
O1 Rh1 C10 153.0(3) . . ?
O1 Rh1 C18 111.5(3) . . ?
N1 Rh1 O1 85.1(2) 2 . ?
N1 Rh1 O8 83.6(2) 2 . ?
N1 Rh1 C8 137.8(3) 2 . ?
N1 Rh1 C10 96.8(3) 2 . ?
N1 Rh1 C18 162.5(3) 2 . ?
N1 Rh1 C22 124.3(3) 2 . ?
C6 Rh1 O1 113.4(3) . . ?
C6 Rh1 O8 167.1(3) . . ?
C6 Rh1 N1 103.1(3) . 2 ?
C6 Rh1 C8 38.7(3) . . ?
C6 Rh1 C10 39.9(3) . . ?
C6 Rh1 C18 65.6(3) . . ?
C6 Rh1 C22 66.5(3) . . ?
C8 Rh1 O8 137.9(3) . . ?
C10 Rh1 O8 129.2(3) . . ?
C10 Rh1 C8 65.4(3) . . ?
C10 Rh1 C18 65.8(3) . . ?
C18 Rh1 O8 105.1(3) . . ?
C18 Rh1 C8 38.6(3) . . ?
C22 Rh1 O1 150.4(3) . . ?
C22 Rh1 O8 100.6(3) . . ?
C22 Rh1 C8 65.8(3) . . ?
C22 Rh1 C10 39.2(3) . . ?
C22 Rh1 C18 39.8(3) . . ?
O4 Rh2 O6 78.06(18) . . ?
O4 Rh2 C36 140.6(3) . . ?
O4 Rh2 C21 105.3(3) . . ?
O4 Rh2 C23 124.1(3) . . ?
O4 Rh2 C3 163.1(3) . . ?
O4 Rh2 C25 97.4(3) . . ?
O6 Rh2 C36 97.0(3) . . ?
O6 Rh2 C3 118.0(3) . . ?
O6 Rh2 C25 146.7(4) . . ?
N4 Rh2 O4 85.1(2) . . ?
N4 Rh2 O6 86.5(2) . . ?
N4 Rh2 C36 134.1(4) . . ?
N4 Rh2 C21 162.6(4) . . ?
N4 Rh2 C23 96.5(4) . . ?
N4 Rh2 C3 100.6(4) . . ?
N4 Rh2 C25 126.3(4) . . ?
C21 Rh2 O6 109.1(3) . . ?
C21 Rh2 C36 38.9(4) . . ?
C21 Rh2 C3 65.7(4) . . ?
C21 Rh2 C25 39.7(4) . . ?
C23 Rh2 O6 157.8(3) . . ?
C23 Rh2 C36 65.2(4) . . ?
C23 Rh2 C21 66.1(4) . . ?
C23 Rh2 C3 39.8(4) . . ?
C23 Rh2 C25 39.4(4) . . ?
C3 Rh2 C36 38.3(4) . . ?
C3 Rh2 C25 66.4(4) . . ?
C25 Rh2 C36 65.6(4) . . ?
O10 S1 O11 117.6(7) . . ?
O10 S1 O3 114.7(7) . . ?
O10 S1 C17 101.9(6) . . ?
O11 S1 O3 114.9(6) . . ?
O11 S1 C17 100.3(7) . . ?
O3 S1 C17 104.2(7) . . ?
C4 O1 Rh1 113.6(4) . . ?
C4 O4 Rh2 113.4(4) . . ?
C1 O6 Rh2 113.4(4) . . ?
C1 O8 Rh1 112.5(4) . . ?
C26 N1 Rh1 121.7(5) . 2 ?
C26 N1 C34 118.2(7) . . ?
C34 N1 Rh1 120.1(5) . 2 ?
C12 N4 Rh2 120.3(5) . . ?
C30 N4 Rh2 120.8(6) . . ?
C30 N4 C12 117.4(8) . . ?
O6 C1 C4 116.6(6) . . ?
O8 C1 O6 125.5(6) . . ?
O8 C1 C4 117.9(6) . . ?
O1 C4 C1 116.9(6) . . ?
O4 C4 O1 125.2(6) . . ?
O4 C4 C1 118.0(6) . . ?
C8 C6 Rh1 72.2(4) . . ?
C8 C6 C10 108.2(7) . . ?
C8 C6 C14 126.1(8) . . ?
C10 C6 Rh1 70.9(4) . . ?
C10 C6 C14 125.6(8) . . ?
C14 C6 Rh1 125.4(6) . . ?
C6 C8 Rh1 69.2(4) . . ?
C6 C8 C18 109.0(7) . . ?
C6 C8 C37 125.2(7) . . ?
C18 C8 Rh1 70.5(5) . . ?
C18 C8 C37 125.7(8) . . ?
C37 C8 Rh1 123.6(6) . . ?
C6 C10 Rh1 69.2(4) . . ?
C6 C10 C11 126.1(8) . . ?
C22 C10 Rh1 70.2(4) . . ?
C22 C10 C6 107.7(7) . . ?
C22 C10 C11 126.2(8) . . ?
C11 C10 Rh1 125.5(6) . . ?
C20 N2 N3 111.9(8) . . ?
N4 C12 H12 118.5 . . ?
N4 C12 C28 122.9(8) . . ?
C28 C12 H12 118.5 . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C24 C16 C20 121.2(8) . . ?
C32 C16 C20 120.9(8) . . ?
C32 C16 C24 117.8(8) . . ?
C8 C18 Rh1 70.8(5) . . ?
C8 C18 C22 107.7(7) . . ?
C8 C18 C15 125.5(8) . . ?
C22 C18 Rh1 69.5(5) . . ?
C22 C18 C15 126.8(8) . . ?
C15 C18 Rh1 127.5(7) . . ?
N2 C20 C16 119.9(9) . . ?
N2 C20 H20 120.1 . . ?
C16 C20 H20 120.1 . . ?
C10 C22 Rh1 70.6(5) . . ?
C10 C22 C18 107.4(7) . . ?
C10 C22 C27 126.6(8) . . ?
C18 C22 Rh1 70.7(5) . . ?
C18 C22 C27 126.0(8) . . ?
C27 C22 Rh1 125.3(6) . . ?
C16 C24 H24 120.2 . . ?
C26 C24 C16 119.6(8) . . ?
C26 C24 H24 120.2 . . ?
N1 C26 C24 122.5(8) . . ?
N1 C26 H26 118.8 . . ?
C24 C26 H26 118.8 . . ?
C7 N3 N2 111.0(8) . . ?
C12 C28 H28 120.5 . . ?
C12 C28 C19 119.1(9) . . ?
C19 C28 H28 120.5 . . ?
N4 C30 H30 118.7 . . ?
N4 C30 C5 122.5(9) . . ?
C5 C30 H30 118.7 . . ?
C16 C32 H32 120.2 . . ?
C16 C32 C34 119.6(8) . . ?
C34 C32 H32 120.2 . . ?
N1 C34 C32 122.4(8) . . ?
N1 C34 H34 118.8 . . ?
C32 C34 H34 118.8 . . ?
C21 C36 Rh2 70.2(5) . . ?
C21 C36 C13 126.2(11) . . ?
C3 C36 Rh2 70.6(5) . . ?
C3 C36 C21 109.9(9) . . ?
C3 C36 C13 123.8(10) . . ?
C13 C36 Rh2 123.4(7) . . ?
C8 C37 H37A 109.5 . . ?
C8 C37 H37B 109.5 . . ?
C8 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C28 C19 C5 118.1(8) . . ?
C28 C19 C7 121.9(9) . . ?
C5 C19 C7 119.8(9) . . ?
C30 C5 C19 119.7(9) . . ?
C30 C5 H5 120.1 . . ?
C19 C5 H5 120.1 . . ?
C36 C21 Rh2 70.9(6) . . ?
C36 C21 C25 107.6(10) . . ?
C36 C21 C33 124.9(10) . . ?
C25 C21 Rh2 70.3(6) . . ?
C25 C21 C33 127.5(10) . . ?
C33 C21 Rh2 127.2(7) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C23 Rh2 70.2(5) . . ?
C3 C23 C2 128.0(12) . . ?
C25 C23 Rh2 70.5(5) . . ?
C25 C23 C3 107.9(10) . . ?
C25 C23 C2 124.1(10) . . ?
C2 C23 Rh2 126.7(7) . . ?
C36 C3 Rh2 71.1(5) . . ?
C36 C3 C23 107.5(10) . . ?
C36 C3 C31 128.8(10) . . ?
C23 C3 Rh2 70.0(5) . . ?
C23 C3 C31 123.6(11) . . ?
C31 C3 Rh2 127.8(8) . . ?
C21 C25 Rh2 70.0(5) . . ?
C21 C25 C29 127.3(12) . . ?
C23 C25 Rh2 70.1(5) . . ?
C23 C25 C21 107.2(8) . . ?
C23 C25 C29 125.5(11) . . ?
C29 C25 Rh2 123.1(6) . . ?
C36 C13 H13A 109.5 . . ?
C36 C13 H13B 109.5 . . ?
C36 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C7 C19 121.2(9) . . ?
N3 C7 H7 119.4 . . ?
C19 C7 H7 119.4 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C18 C15 H15A 109.5 . . ?
C18 C15 H15B 109.5 . . ?
C18 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C3 C31 H31A 109.5 . . ?
C3 C31 H31B 109.5 . . ?
C3 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C23 C2 H2A 109.5 . . ?
C23 C2 H2B 109.5 . . ?
C23 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C21 C33 H33A 109.5 . . ?
C21 C33 H33B 109.5 . . ?
C21 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
F1 C17 S1 112.5(10) . . ?
F1 C17 F4 104.5(11) . . ?
F1 C17 F6 109.9(12) . . ?
F4 C17 S1 112.1(10) . . ?
F4 C17 F6 106.0(13) . . ?
F6 C17 S1 111.5(10) . . ?
O2 S2 C9 106.8(7) . . ?
O9 S2 O2 130.4(10) . . ?
O9 S2 C9 104.8(7) . . ?
O5 S2 O2 99.5(12) . . ?
O5 S2 O9 106.7(10) . . ?
O5 S2 C9 106.9(8) . . ?
F3 C9 S2 106.6(9) . . ?
F3 C9 F2 100.0(12) . . ?
F2 C9 S2 108.5(10) . . ?
F5 C9 S2 111.8(10) . . ?
F5 C9 F3 116.9(13) . . ?
F5 C9 F2 112.1(13) . . ?

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 C4 O4 -172.7(6) . . . . ?
Rh1 O1 C4 C1 7.9(8) . . . . ?
Rh1 O8 C1 O6 169.1(6) . . . . ?
Rh1 O8 C1 C4 -9.5(8) . . . . ?
Rh1 N1 C26 C24 -179.3(6) 2 . . . ?
Rh1 N1 C34 C32 179.4(6) 2 . . . ?
Rh1 C6 C8 C18 59.5(6) . . . . ?
Rh1 C6 C8 C37 -117.2(8) . . . . ?
Rh1 C6 C10 C22 -59.9(5) . . . . ?
Rh1 C6 C10 C11 119.4(8) . . . . ?
Rh1 C8 C18 C22 59.9(6) . . . . ?
Rh1 C8 C18 C15 -123.0(9) . . . . ?
Rh1 C10 C22 C18 -61.5(5) . . . . ?
Rh1 C10 C22 C27 120.1(9) . . . . ?
Rh1 C18 C22 C10 61.4(5) . . . . ?
Rh1 C18 C22 C27 -120.2(9) . . . . ?
Rh2 O4 C4 O1 173.2(6) . . . . ?
Rh2 O4 C4 C1 -7.3(8) . . . . ?
Rh2 O6 C1 O8 -175.6(6) . . . . ?
Rh2 O6 C1 C4 3.0(8) . . . . ?
Rh2 N4 C12 C28 -163.9(7) . . . . ?
Rh2 N4 C30 C5 162.2(8) . . . . ?
Rh2 C36 C21 C25 61.1(6) . . . . ?
Rh2 C36 C21 C33 -122.5(10) . . . . ?
Rh2 C36 C3 C23 -60.8(6) . . . . ?
Rh2 C36 C3 C31 123.8(12) . . . . ?
Rh2 C21 C25 C23 60.6(6) . . . . ?
Rh2 C21 C25 C29 -116.9(9) . . . . ?
Rh2 C23 C3 C36 61.5(6) . . . . ?
Rh2 C23 C3 C31 -122.8(11) . . . . ?
Rh2 C23 C25 C21 -60.5(6) . . . . ?
Rh2 C23 C25 C29 117.1(9) . . . . ?
O6 C1 C4 O1 -177.4(6) . . . . ?
O6 C1 C4 O4 3.0(10) . . . . ?
O8 C1 C4 O1 1.3(10) . . . . ?
O8 C1 C4 O4 -178.2(7) . . . . ?
N4 C12 C28 C19 1.2(13) . . . . ?
N4 C30 C5 C19 2.0(16) . . . . ?
C6 C8 C18 Rh1 -58.6(6) . . . . ?
C6 C8 C18 C22 1.3(9) . . . . ?
C6 C8 C18 C15 178.4(9) . . . . ?
C6 C10 C22 Rh1 59.2(5) . . . . ?
C6 C10 C22 C18 -2.3(9) . . . . ?
C6 C10 C22 C27 179.4(8) . . . . ?
C8 C6 C10 Rh1 63.0(5) . . . . ?
C8 C6 C10 C22 3.1(9) . . . . ?
C8 C6 C10 C11 -177.6(8) . . . . ?
C8 C18 C22 Rh1 -60.8(6) . . . . ?
C8 C18 C22 C10 0.6(9) . . . . ?
C8 C18 C22 C27 179.0(8) . . . . ?
C10 C6 C8 Rh1 -62.2(5) . . . . ?
C10 C6 C8 C18 -2.7(9) . . . . ?
C10 C6 C8 C37 -179.4(8) . . . . ?
N2 N3 C7 C19 -176.3(9) . . . . ?
C12 N4 C30 C5 -4.3(14) . . . . ?
C12 C28 C19 C5 -3.4(14) . . . . ?
C12 C28 C19 C7 172.0(9) . . . . ?
C14 C6 C8 Rh1 121.2(8) . . . . ?
C14 C6 C8 C18 -179.3(8) . . . . ?
C14 C6 C8 C37 4.0(13) . . . . ?
C14 C6 C10 Rh1 -120.4(8) . . . . ?
C14 C6 C10 C22 179.7(8) . . . . ?
C14 C6 C10 C11 -1.0(13) . . . . ?
C16 C24 C26 N1 -1.2(12) . . . . ?
C16 C32 C34 N1 1.0(13) . . . . ?
C20 N2 N3 C7 176.1(9) . . . . ?
C20 C16 C24 C26 -176.8(7) . . . . ?
C20 C16 C32 C34 176.9(8) . . . . ?
C24 C16 C20 N2 178.6(8) . . . . ?
C24 C16 C32 C34 -0.3(12) . . . . ?
C26 N1 C34 C32 -1.6(12) . . . . ?
N3 N2 C20 C16 -176.4(7) . . . . ?
C28 C19 C5 C30 1.9(15) . . . . ?
C28 C19 C7 N3 -3.7(16) . . . . ?
C30 N4 C12 C28 2.7(13) . . . . ?
C32 C16 C20 N2 1.4(12) . . . . ?
C32 C16 C24 C26 0.4(12) . . . . ?
C34 N1 C26 C24 1.8(11) . . . . ?
O10 S1 C17 F1 -63.6(12) . . . . ?
O10 S1 C17 F4 179.1(11) . . . . ?
O10 S1 C17 F6 60.4(11) . . . . ?
C36 C21 C25 Rh2 -61.5(6) . . . . ?
C36 C21 C25 C23 -0.9(9) . . . . ?
C36 C21 C25 C29 -178.4(9) . . . . ?
C37 C8 C18 Rh1 118.0(8) . . . . ?
C37 C8 C18 C22 177.9(8) . . . . ?
C37 C8 C18 C15 -5.0(14) . . . . ?
C5 C19 C7 N3 171.6(10) . . . . ?
C21 C36 C3 Rh2 59.4(6) . . . . ?
C21 C36 C3 C23 -1.4(10) . . . . ?
C21 C36 C3 C31 -176.8(10) . . . . ?
O11 S1 C17 F1 175.2(11) . . . . ?
O11 S1 C17 F4 57.8(12) . . . . ?
O11 S1 C17 F6 -60.9(11) . . . . ?
C11 C10 C22 Rh1 -120.0(8) . . . . ?
C11 C10 C22 C18 178.5(8) . . . . ?
C11 C10 C22 C27 0.1(14) . . . . ?
C3 C36 C21 Rh2 -59.7(7) . . . . ?
C3 C36 C21 C25 1.4(10) . . . . ?
C3 C36 C21 C33 177.8(9) . . . . ?
C3 C23 C25 Rh2 60.6(6) . . . . ?
C3 C23 C25 C21 0.1(10) . . . . ?
C3 C23 C25 C29 177.6(8) . . . . ?
C25 C23 C3 Rh2 -60.7(6) . . . . ?
C25 C23 C3 C36 0.8(10) . . . . ?
C25 C23 C3 C31 176.5(10) . . . . ?
C13 C36 C21 Rh2 117.5(10) . . . . ?
C13 C36 C21 C25 178.6(9) . . . . ?
C13 C36 C21 C33 -5.1(15) . . . . ?
C13 C36 C3 Rh2 -117.8(9) . . . . ?
C13 C36 C3 C23 -178.6(9) . . . . ?
C13 C36 C3 C31 6.0(17) . . . . ?
C7 C19 C5 C30 -173.6(10) . . . . ?
O3 S1 C17 F1 56.1(12) . . . . ?
O3 S1 C17 F4 -61.3(12) . . . . ?
O3 S1 C17 F6 180.0(10) . . . . ?
C15 C18 C22 Rh1 122.2(9) . . . . ?
C15 C18 C22 C10 -176.4(9) . . . . ?
C15 C18 C22 C27 2.0(15) . . . . ?
C2 C23 C3 Rh2 121.7(10) . . . . ?
C2 C23 C3 C36 -176.8(9) . . . . ?
C2 C23 C3 C31 -1.1(16) . . . . ?
C2 C23 C25 Rh2 -121.7(9) . . . . ?
C2 C23 C25 C21 177.8(9) . . . . ?
C2 C23 C25 C29 -4.7(14) . . . . ?
C33 C21 C25 Rh2 122.3(10) . . . . ?
C33 C21 C25 C23 -177.2(9) . . . . ?
C33 C21 C25 C29 5.4(15) . . . . ?
O2 S2 C9 F3 -148.7(13) . . . . ?
O2 S2 C9 F2 104.4(14) . . . . ?
O2 S2 C9 F5 -19.7(16) . . . . ?
O9 S2 C9 F3 -7.4(14) . . . . ?
O9 S2 C9 F2 -114.3(13) . . . . ?
O9 S2 C9 F5 121.5(14) . . . . ?
O5 S2 C9 F3 105.6(14) . . . . ?
O5 S2 C9 F2 -1.3(15) . . . . ?
O5 S2 C9 F5 -125.5(14) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 138 electrons were 
found in a volume of 540Å³ in 1 void per unit cell. 
This is consistent with the presence of 
8[CH3OH] per Asymmetric Unit 
which account for 144 electrons 
per unit cell.
;
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 0.000 -0.472 0.500 539.5 137.8 '8 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.533
_oxdiff_exptl_absorpt_empirical_full_min 0.590
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2184770'
loop_
_audit_author_name
_audit_author_address
'lilong Dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_audit_creation_date             2022-04-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C76 H80 N8 O10 Rh4, 2(C F3 O3 S), 3[CF3SO3]'
_chemical_formula_sum            'C81 H80 F15 N8 O25 Rh4 S5'
_chemical_formula_weight         2422.47
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   14.3226(9)
_cell_length_b                   9.2264(5)
_cell_length_c                   36.521(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.038(3)
_cell_angle_gamma                90
_cell_volume                     4823.0(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      53.90
_cell_measurement_theta_min      2.69
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.952
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1010 before and 0.0654 after correction.
The Ratio of minimum to maximum transmission is 0.6013.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2434
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            30284
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.035
_diffrn_reflns_theta_min         2.686
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_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_source                   ?
_diffrn_source_current           2.85
_diffrn_source_power             0.1986735
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6877
_reflns_number_total             8783
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.678
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         8783
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0441
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0602P)²+6.1367P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1226
_refine_special_details          ?
_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
 N5-C13 \\sim N3-C13
 with sigma of 0.02
 N12-C33 \\sim N2-C33
 with sigma of 0.02
 N5-N12 \\sim N3-N2
 with sigma of 0.02
3. Rigid bond restraints
 N12, N2, N3, N5
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Rigid body (RIGU) restrains
 N2, N12, N5, N3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(N5)=Sof(N12)=1-FVAR(1)
 Sof(N2)=Sof(N3)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C11(H11), C17(H17), C21(H21), C22(H22), C24(H24), C25(H25), C27(H27),
 C34(H34), C39(H39)
6.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C7(H7A,H7B,H7C), C9(H9A,H9B,H9C), C15(H15A,H15B,H15C),
 C19(H19A,H19B,H19C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C35(H35A,H35B,
 H35C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0263(3) 0.1793(6) 0.67112(12) 0.0429(12) Uani 1 1 d . . . . .
N1 N 0.1440(2) 0.0320(4) 0.60400(9) 0.0393(9) Uani 1 1 d . . . . .
O1 O 0.25265(19) 0.1451(3) 0.66741(8) 0.0373(7) Uani 1 1 d . . . . .
Rh1 Rh 0.11028(2) 0.12313(4) 0.65488(2) 0.03350(11) Uani 1 1 d . . . . .
C2 C 0.4736(3) 1.0209(6) 0.62047(13) 0.0474(12) Uani 1 1 d . . . . .
H2A H 0.493333 1.121565 0.624373 0.071 Uiso 1 1 calc R U . . .
H2B H 0.408236 1.010096 0.627032 0.071 Uiso 1 1 calc R U . . .
H2C H 0.479994 0.995155 0.594641 0.071 Uiso 1 1 calc R U . . .
N2 N 0.158(2) -0.083(3) 0.4696(2) 0.068(6) Uani 0.61(6) 1 d D U P A 1
O2 O 0.2533(2) -0.2516(4) 0.49382(7) 0.0468(8) Uani 1 1 d . . . . .
Rh2 Rh 0.52702(2) 0.69011(4) 0.64388(2) 0.03227(11) Uani 1 1 d . . . . .
C3 C 0.2246(3) -0.1369(6) 0.56727(12) 0.0468(12) Uani 1 1 d . . . . .
H3 H 0.270538 -0.210547 0.565509 0.056 Uiso 1 1 calc R U . . .
N3 N 0.1990(19) -0.160(3) 0.4412(3) 0.058(5) Uani 0.61(6) 1 d D U P A 1
C4 C 0.6558(3) 0.7765(5) 0.66393(11) 0.0365(10) Uani 1 1 d . . . . .
N4 N 0.4184(3) -0.5403(4) 0.39473(9) 0.0394(9) Uani 1 1 d . . . . .
O4 O 0.1415(2) 0.3247(4) 0.63113(8) 0.0409(7) Uani 1 1 d . . . . .
C5 C 0.1746(3) -0.0901(6) 0.53639(12) 0.0480(13) Uani 1 1 d . . . . .
C6 C 0.5329(3) 0.9241(5) 0.64362(10) 0.0347(10) Uani 1 1 d . . . . .
O6 O 0.3870(2) 0.6588(3) 0.62342(8) 0.0390(7) Uani 1 1 d . . . . .
C7 C -0.0800(4) 0.3037(7) 0.65462(16) 0.0612(15) Uani 1 1 d . . . . .
H7A H -0.041685 0.391603 0.656116 0.092 Uiso 1 1 calc R U . . .
H7B H -0.137262 0.318535 0.668058 0.092 Uiso 1 1 calc R U . . .
H7C H -0.096291 0.282327 0.628897 0.092 Uiso 1 1 calc R U . . .
C8 C 0.0391(3) 0.1890(6) 0.70193(12) 0.0451(12) Uani 1 1 d . . . . .
O8 O 0.48480(19) 0.5009(3) 0.67074(7) 0.0362(7) Uani 1 1 d . . . . .
C9 C 0.1520(4) 0.0112(7) 0.73638(12) 0.0594(15) Uani 1 1 d . . . . .
H9A H 0.183445 -0.078388 0.729341 0.089 Uiso 1 1 calc R U . . .
H9B H 0.123567 -0.002495 0.760158 0.089 Uiso 1 1 calc R U . . .
H9C H 0.197610 0.090229 0.738184 0.089 Uiso 1 1 calc R U . . .
C10 C 0.5126(3) 0.8696(5) 0.67961(12) 0.0394(11) Uani 1 1 d . . . . .
C11 C 0.0969(3) 0.0794(6) 0.57385(12) 0.0474(12) Uani 1 1 d . . . . .
H11 H 0.053339 0.156217 0.576082 0.057 Uiso 1 1 calc R U . . .
C12 C 0.0780(3) 0.0479(6) 0.70825(11) 0.0444(12) Uani 1 1 d . . . . .
C13 C 0.2474(4) -0.2663(7) 0.45684(12) 0.0610(16) Uani 1 1 d D . . . .
C14 C 0.6221(3) 0.8649(5) 0.63399(11) 0.0356(10) Uani 1 1 d . . . . .
C15 C 0.4280(3) 0.9069(6) 0.70080(13) 0.0491(13) Uani 1 1 d . . . . .
H15A H 0.373641 0.916154 0.683906 0.074 Uiso 1 1 calc R U . . .
H15B H 0.438580 0.998836 0.713727 0.074 Uiso 1 1 calc R U . . .
H15C H 0.416595 0.830017 0.718611 0.074 Uiso 1 1 calc R U . . .
C16 C 0.0390(3) -0.0492(6) 0.68100(11) 0.0429(12) Uani 1 1 d . . . . .
C17 C 0.3632(4) -0.4712(6) 0.45293(12) 0.0560(14) Uani 1 1 d . . . . .
H17 H 0.363747 -0.485740 0.478687 0.067 Uiso 1 1 calc R U . . .
C18 C 0.5887(3) 0.7831(5) 0.69228(11) 0.0366(10) Uani 1 1 d . . . . .
C19 C 0.0611(4) 0.3234(7) 0.72358(16) 0.0708(18) Uani 1 1 d . . . . .
H19A H 0.124075 0.315751 0.734781 0.106 Uiso 1 1 calc R U . . .
H19B H 0.015641 0.334614 0.742826 0.106 Uiso 1 1 calc R U . . .
H19C H 0.057855 0.407862 0.707304 0.106 Uiso 1 1 calc R U . . .
C20 C -0.0270(3) 0.0342(6) 0.65836(11) 0.0443(12) Uani 1 1 d . . . . .
C21 C 0.3138(3) -0.3417(6) 0.39964(12) 0.0440(12) Uani 1 1 d . . . . .
H21 H 0.279145 -0.266012 0.387908 0.053 Uiso 1 1 calc R U . . .
C22 C 0.3766(3) 0.3144(5) 0.67133(11) 0.0329(9) Uani 1 1 d . . . . .
H22 H 0.415722 0.253536 0.686189 0.040 Uiso 1 1 calc R U . . .
C23 C 0.3091(4) -0.3621(6) 0.43703(12) 0.0510(13) Uani 1 1 d . . . . .
C24 C 0.2565(3) 0.5042(5) 0.62543(11) 0.0382(10) Uani 1 1 d . . . . .
H24 H 0.217296 0.565368 0.610687 0.046 Uiso 1 1 calc R U . . .
C25 C 0.4161(3) -0.5583(6) 0.43121(11) 0.0457(12) Uani 1 1 d . . . . .
H25 H 0.452232 -0.633678 0.442374 0.055 Uiso 1 1 calc R U . . .
C26 C 0.4070(3) 0.4489(5) 0.66046(10) 0.0320(9) Uani 1 1 d . . . . .
C27 C 0.1099(3) 0.0204(6) 0.54001(12) 0.0515(13) Uani 1 1 d . . . . .
H27 H 0.074816 0.054721 0.519203 0.062 Uiso 1 1 calc R U . . .
C28 C 0.3476(3) 0.5448(5) 0.63493(10) 0.0344(10) Uani 1 1 d . . . . .
C29 C 0.7473(3) 0.6986(6) 0.66675(13) 0.0479(12) Uani 1 1 d . . . . .
H29A H 0.769412 0.679716 0.642120 0.072 Uiso 1 1 calc R U . . .
H29B H 0.739298 0.606478 0.679628 0.072 Uiso 1 1 calc R U . . .
H29C H 0.793130 0.758501 0.680366 0.072 Uiso 1 1 calc R U . . .
C30 C 0.2878(3) 0.2699(5) 0.66010(10) 0.0331(10) Uani 1 1 d . . . . .
C31 C 0.5955(4) 0.7017(6) 0.72767(11) 0.0486(13) Uani 1 1 d . . . . .
H31A H 0.532671 0.675092 0.735101 0.073 Uiso 1 1 calc R U . . .
H31B H 0.625502 0.762943 0.746587 0.073 Uiso 1 1 calc R U . . .
H31C H 0.632686 0.613727 0.724524 0.073 Uiso 1 1 calc R U . . .
C32 C 0.2243(3) 0.3720(5) 0.63799(11) 0.0367(10) Uani 1 1 d . . . . .
C33 C 0.1887(4) -0.1499(7) 0.49990(13) 0.0624(16) Uani 1 1 d D . . . .
C34 C 0.2068(3) -0.0757(6) 0.60031(12) 0.0433(11) Uani 1 1 d . . . . .
H34 H 0.239844 -0.110245 0.621564 0.052 Uiso 1 1 calc R U . . .
C35 C 0.0584(4) -0.2074(6) 0.67723(15) 0.0602(15) Uani 1 1 d . . . . .
H35A H 0.054309 -0.234463 0.651275 0.090 Uiso 1 1 calc R U . . .
H35B H 0.012431 -0.262842 0.690683 0.090 Uiso 1 1 calc R U . . .
H35C H 0.121319 -0.228686 0.687257 0.090 Uiso 1 1 calc R U . . .
C37 C -0.0867(3) -0.0245(7) 0.62769(13) 0.0593(15) Uani 1 1 d . . . . .
H37A H -0.092860 0.048091 0.608170 0.089 Uiso 1 1 calc R U . . .
H37B H -0.148643 -0.047950 0.636607 0.089 Uiso 1 1 calc R U . . .
H37C H -0.057946 -0.112403 0.618086 0.089 Uiso 1 1 calc R U . . .
C38 C 0.6689(3) 0.8954(6) 0.59916(11) 0.0423(11) Uani 1 1 d . . . . .
H38A H 0.621810 0.903507 0.579141 0.063 Uiso 1 1 calc R U . . .
H38B H 0.712087 0.816291 0.593920 0.063 Uiso 1 1 calc R U . . .
H38C H 0.703741 0.986581 0.601463 0.063 Uiso 1 1 calc R U . . .
C39 C 0.3685(3) -0.4308(5) 0.37970(11) 0.0414(11) Uani 1 1 d . . . . .
H39 H 0.371454 -0.414725 0.354070 0.050 Uiso 1 1 calc R U . . .
F1 F 0.1563(2) 0.6278(4) 0.76231(9) 0.0663(9) Uani 1 1 d . . . . .
S1 S 0.31695(9) 0.69421(15) 0.79522(3) 0.0470(3) Uani 1 1 d . . . . .
F2 F 0.2599(3) 0.4589(4) 0.76131(10) 0.0821(10) Uani 1 1 d . . . . .
F3 F 0.2696(2) 0.6451(4) 0.72594(8) 0.0739(10) Uani 1 1 d . . . . .
O3 O 0.4112(2) 0.6590(4) 0.78638(10) 0.0603(10) Uani 1 1 d . . . . .
O5 O 0.2914(3) 0.8434(4) 0.79050(10) 0.0578(9) Uani 1 1 d . . . . .
O7 O 0.2843(3) 0.6275(4) 0.82777(9) 0.0639(11) Uani 1 1 d . . . . .
C36 C 0.2468(3) 0.6034(6) 0.75955(13) 0.0451(12) Uani 1 1 d . . . . .
N5 N 0.1650(18) -0.224(4) 0.4434(5) 0.048(7) Uani 0.39(6) 1 d D U P A 2
N12 N 0.1256(18) -0.143(4) 0.4717(6) 0.058(7) Uani 0.39(6) 1 d D U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 Rh1 2.128(4) . ?
C1 C7 1.496(7) . ?
C1 C8 1.441(6) . ?
C1 C20 1.418(7) . ?
N1 Rh1 2.111(3) . ?
N1 C11 1.344(6) . ?
N1 C34 1.349(6) . ?
O1 Rh1 2.084(3) . ?
O1 C30 1.289(5) . ?
Rh1 O4 2.107(3) . ?
Rh1 C8 2.118(4) . ?
Rh1 C12 2.135(4) . ?
Rh1 C16 2.133(5) . ?
Rh1 C20 2.138(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C6 1.477(6) . ?
N2 N3 1.403(10) . ?
N2 C33 1.331(10) . ?
O2 C13 1.357(5) . ?
O2 C33 1.343(6) . ?
Rh2 C4 2.117(4) . ?
Rh2 N4 2.142(4) 3_656 ?
Rh2 C6 2.160(5) . ?
Rh2 O6 2.135(3) . ?
Rh2 O8 2.101(3) . ?
Rh2 C10 2.123(5) . ?
Rh2 C14 2.149(4) . ?
Rh2 C18 2.128(4) . ?
C3 H3 0.9500 . ?
C3 C5 1.383(7) . ?
C3 C34 1.364(6) . ?
N3 C13 1.319(10) . ?
C4 C14 1.434(6) . ?
C4 C18 1.439(6) . ?
C4 C29 1.495(6) . ?
N4 C25 1.344(5) . ?
N4 C39 1.344(6) . ?
O4 C32 1.280(5) . ?
C5 C27 1.387(7) . ?
C5 C33 1.462(6) . ?
C6 C10 1.447(6) . ?
C6 C14 1.444(6) . ?
O6 C28 1.272(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C12 1.432(7) . ?
C8 C19 1.498(7) . ?
O8 C26 1.258(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C12 1.488(6) . ?
C10 C15 1.500(6) . ?
C10 C18 1.416(7) . ?
C11 H11 0.9500 . ?
C11 C27 1.369(6) . ?
C12 C16 1.437(7) . ?
C13 C23 1.461(7) . ?
C13 N5 1.322(13) . ?
C14 C38 1.486(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C20 1.454(7) . ?
C16 C35 1.493(8) . ?
C17 H17 0.9500 . ?
C17 C23 1.385(7) . ?
C17 C25 1.375(7) . ?
C18 C31 1.495(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C37 1.487(6) . ?
C21 H21 0.9500 . ?
C21 C23 1.382(6) . ?
C21 C39 1.364(6) . ?
C22 H22 0.9500 . ?
C22 C26 1.378(6) . ?
C22 C30 1.385(6) . ?
C24 H24 0.9500 . ?
C24 C28 1.389(6) . ?
C24 C32 1.388(6) . ?
C25 H25 0.9500 . ?
C26 C28 1.523(6) . ?
C27 H27 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C32 1.521(6) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 N12 1.346(14) . ?
C34 H34 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39 0.9500 . ?
F1 C36 1.323(5) . ?
S1 O3 1.436(4) . ?
S1 O5 1.433(4) . ?
S1 O7 1.432(4) . ?
S1 C36 1.821(5) . ?
F2 C36 1.347(6) . ?
F3 C36 1.338(5) . ?
N5 N12 1.410(14) . ?

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
C7 C1 Rh1 122.6(3) . . ?
C8 C1 Rh1 69.8(2) . . ?
C8 C1 C7 125.3(5) . . ?
C20 C1 Rh1 71.0(3) . . ?
C20 C1 C7 126.5(5) . . ?
C20 C1 C8 108.2(4) . . ?
C11 N1 Rh1 117.9(3) . . ?
C11 N1 C34 118.3(4) . . ?
C34 N1 Rh1 123.7(3) . . ?
C30 O1 Rh1 115.3(3) . . ?
C1 Rh1 C12 66.05(18) . . ?
C1 Rh1 C16 66.3(2) . . ?
C1 Rh1 C20 38.8(2) . . ?
N1 Rh1 C1 125.72(16) . . ?
N1 Rh1 C8 163.79(17) . . ?
N1 Rh1 C12 137.55(19) . . ?
N1 Rh1 C16 103.01(17) . . ?
N1 Rh1 C20 98.01(16) . . ?
O1 Rh1 C1 144.80(16) . . ?
O1 Rh1 N1 88.79(13) . . ?
O1 Rh1 O4 77.54(11) . . ?
O1 Rh1 C8 106.83(15) . . ?
O1 Rh1 C12 94.18(15) . . ?
O1 Rh1 C16 117.03(15) . . ?
O1 Rh1 C20 156.77(16) . . ?
O4 Rh1 C1 96.33(16) . . ?
O4 Rh1 N1 86.01(14) . . ?
O4 Rh1 C8 101.31(17) . . ?
O4 Rh1 C12 135.96(17) . . ?
O4 Rh1 C16 162.58(16) . . ?
O4 Rh1 C20 124.90(16) . . ?
C8 Rh1 C1 39.67(18) . . ?
C8 Rh1 C12 39.3(2) . . ?
C8 Rh1 C16 66.37(19) . . ?
C8 Rh1 C20 65.91(18) . . ?
C12 Rh1 C20 65.91(17) . . ?
C16 Rh1 C12 39.36(18) . . ?
C16 Rh1 C20 39.80(18) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C6 C2 H2A 109.5 . . ?
C6 C2 H2B 109.5 . . ?
C6 C2 H2C 109.5 . . ?
C33 N2 N3 104.0(9) . . ?
C33 O2 C13 102.4(4) . . ?
C4 Rh2 N4 97.85(15) . 3_656 ?
C4 Rh2 C6 65.90(17) . . ?
C4 Rh2 O6 165.60(16) . . ?
C4 Rh2 C10 66.19(17) . . ?
C4 Rh2 C14 39.28(17) . . ?
C4 Rh2 C18 39.63(15) . . ?
N4 Rh2 C6 128.80(14) 3_656 . ?
N4 Rh2 C14 97.19(15) 3_656 . ?
O6 Rh2 N4 92.45(13) . 3_656 ?
O6 Rh2 C6 99.78(14) . . ?
O6 Rh2 C14 129.46(15) . . ?
O8 Rh2 C4 114.41(14) . . ?
O8 Rh2 N4 83.64(13) . 3_656 ?
O8 Rh2 C6 147.55(13) . . ?
O8 Rh2 O6 76.62(11) . . ?
O8 Rh2 C10 108.97(14) . . ?
O8 Rh2 C14 153.65(14) . . ?
O8 Rh2 C18 93.72(14) . . ?
C10 Rh2 N4 162.50(16) . 3_656 ?
C10 Rh2 C6 39.46(15) . . ?
C10 Rh2 O6 102.11(16) . . ?
C10 Rh2 C14 66.06(16) . . ?
C10 Rh2 C18 38.91(18) . . ?
C14 Rh2 C6 39.16(16) . . ?
C18 Rh2 N4 131.01(16) . 3_656 ?
C18 Rh2 C6 65.55(17) . . ?
C18 Rh2 O6 134.62(14) . . ?
C18 Rh2 C14 65.83(15) . . ?
C5 C3 H3 120.5 . . ?
C34 C3 H3 120.5 . . ?
C34 C3 C5 119.0(5) . . ?
C13 N3 N2 106.7(8) . . ?
C14 C4 Rh2 71.6(2) . . ?
C14 C4 C18 108.0(4) . . ?
C14 C4 C29 126.7(4) . . ?
C18 C4 Rh2 70.6(2) . . ?
C18 C4 C29 125.2(4) . . ?
C29 C4 Rh2 126.4(3) . . ?
C25 N4 Rh2 126.5(3) . 3_656 ?
C39 N4 Rh2 114.7(3) . 3_656 ?
C39 N4 C25 117.8(4) . . ?
C32 O4 Rh1 115.4(3) . . ?
C3 C5 C27 118.7(4) . . ?
C3 C5 C33 122.8(5) . . ?
C27 C5 C33 118.6(4) . . ?
C2 C6 Rh2 125.8(3) . . ?
C10 C6 C2 126.9(4) . . ?
C10 C6 Rh2 68.9(3) . . ?
C14 C6 C2 125.8(4) . . ?
C14 C6 Rh2 70.0(3) . . ?
C14 C6 C10 107.3(4) . . ?
C28 O6 Rh2 114.7(3) . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C1 C8 Rh1 70.5(2) . . ?
C1 C8 C19 125.6(5) . . ?
C12 C8 C1 107.9(4) . . ?
C12 C8 Rh1 71.0(2) . . ?
C12 C8 C19 126.5(5) . . ?
C19 C8 Rh1 124.6(3) . . ?
C26 O8 Rh2 116.4(3) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 C9 H9A 109.5 . . ?
C12 C9 H9B 109.5 . . ?
C12 C9 H9C 109.5 . . ?
C6 C10 Rh2 71.7(3) . . ?
C6 C10 C15 125.5(4) . . ?
C15 C10 Rh2 126.4(3) . . ?
C18 C10 Rh2 70.7(3) . . ?
C18 C10 C6 108.4(4) . . ?
C18 C10 C15 126.0(4) . . ?
N1 C11 H11 119.0 . . ?
N1 C11 C27 122.0(5) . . ?
C27 C11 H11 119.0 . . ?
C8 C12 Rh1 69.7(2) . . ?
C8 C12 C9 125.6(5) . . ?
C8 C12 C16 108.4(4) . . ?
C9 C12 Rh1 122.2(3) . . ?
C16 C12 Rh1 70.2(2) . . ?
C16 C12 C9 125.9(5) . . ?
O2 C13 C23 122.4(5) . . ?
N3 C13 O2 111.7(7) . . ?
N3 C13 C23 123.7(6) . . ?
N5 C13 O2 111.4(9) . . ?
N5 C13 C23 122.9(7) . . ?
C4 C14 Rh2 69.1(2) . . ?
C4 C14 C6 107.9(3) . . ?
C4 C14 C38 127.6(4) . . ?
C6 C14 Rh2 70.8(2) . . ?
C6 C14 C38 124.5(4) . . ?
C38 C14 Rh2 126.5(3) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 Rh1 70.4(3) . . ?
C12 C16 C20 107.0(5) . . ?
C12 C16 C35 127.2(4) . . ?
C20 C16 Rh1 70.3(3) . . ?
C20 C16 C35 125.8(4) . . ?
C35 C16 Rh1 126.4(3) . . ?
C23 C17 H17 120.2 . . ?
C25 C17 H17 120.2 . . ?
C25 C17 C23 119.6(4) . . ?
C4 C18 Rh2 69.8(2) . . ?
C4 C18 C31 125.2(4) . . ?
C10 C18 Rh2 70.3(2) . . ?
C10 C18 C4 108.4(4) . . ?
C10 C18 C31 126.2(4) . . ?
C31 C18 Rh2 121.9(3) . . ?
C8 C19 H19A 109.5 . . ?
C8 C19 H19B 109.5 . . ?
C8 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C1 C20 Rh1 70.2(3) . . ?
C1 C20 C16 108.4(4) . . ?
C1 C20 C37 126.1(5) . . ?
C16 C20 Rh1 69.9(2) . . ?
C16 C20 C37 125.5(5) . . ?
C37 C20 Rh1 126.9(3) . . ?
C23 C21 H21 120.2 . . ?
C39 C21 H21 120.2 . . ?
C39 C21 C23 119.6(5) . . ?
C26 C22 H22 120.7 . . ?
C26 C22 C30 118.5(4) . . ?
C30 C22 H22 120.7 . . ?
C17 C23 C13 124.9(4) . . ?
C21 C23 C13 117.3(5) . . ?
C21 C23 C17 117.9(4) . . ?
C28 C24 H24 120.8 . . ?
C32 C24 H24 120.8 . . ?
C32 C24 C28 118.4(4) . . ?
N4 C25 C17 122.2(5) . . ?
N4 C25 H25 118.9 . . ?
C17 C25 H25 118.9 . . ?
O8 C26 C22 122.9(4) . . ?
O8 C26 C28 115.5(4) . . ?
C22 C26 C28 121.6(4) . . ?
C5 C27 H27 120.3 . . ?
C11 C27 C5 119.4(4) . . ?
C11 C27 H27 120.3 . . ?
O6 C28 C24 124.3(4) . . ?
O6 C28 C26 116.0(4) . . ?
C24 C28 C26 119.7(4) . . ?
C4 C29 H29A 109.5 . . ?
C4 C29 H29B 109.5 . . ?
C4 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O1 C30 C22 124.4(4) . . ?
O1 C30 C32 115.7(4) . . ?
C22 C30 C32 119.9(4) . . ?
C18 C31 H31A 109.5 . . ?
C18 C31 H31B 109.5 . . ?
C18 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O4 C32 C24 123.5(4) . . ?
O4 C32 C30 115.2(4) . . ?
C24 C32 C30 121.3(4) . . ?
N2 C33 O2 113.4(6) . . ?
N2 C33 C5 122.0(8) . . ?
O2 C33 C5 122.2(4) . . ?
O2 C33 N12 110.8(9) . . ?
N12 C33 C5 124.6(9) . . ?
N1 C34 C3 122.6(4) . . ?
N1 C34 H34 118.7 . . ?
C3 C34 H34 118.7 . . ?
C16 C35 H35A 109.5 . . ?
C16 C35 H35B 109.5 . . ?
C16 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C20 C37 H37A 109.5 . . ?
C20 C37 H37B 109.5 . . ?
C20 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C14 C38 H38A 109.5 . . ?
C14 C38 H38B 109.5 . . ?
C14 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N4 C39 C21 122.8(4) . . ?
N4 C39 H39 118.6 . . ?
C21 C39 H39 118.6 . . ?
O3 S1 C36 103.6(2) . . ?
O5 S1 O3 115.4(3) . . ?
O5 S1 C36 102.9(2) . . ?
O7 S1 O3 115.3(2) . . ?
O7 S1 O5 115.0(2) . . ?
O7 S1 C36 102.0(2) . . ?
F1 C36 S1 112.6(3) . . ?
F1 C36 F2 107.5(4) . . ?
F1 C36 F3 107.0(4) . . ?
F2 C36 S1 110.4(3) . . ?
F3 C36 S1 112.2(4) . . ?
F3 C36 F2 106.9(4) . . ?
C13 N5 N12 105.0(11) . . ?
C33 N12 N5 105.2(12) . . ?

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
C1 C8 C12 Rh1 61.2(3) . . . . ?
C1 C8 C12 C9 176.9(4) . . . . ?
C1 C8 C12 C16 1.4(5) . . . . ?
N1 C11 C27 C5 -1.1(8) . . . . ?
O1 C30 C32 O4 3.9(5) . . . . ?
O1 C30 C32 C24 -174.0(4) . . . . ?
Rh1 C1 C8 C12 -61.4(3) . . . . ?
Rh1 C1 C8 C19 119.2(5) . . . . ?
Rh1 C1 C20 C16 59.7(3) . . . . ?
Rh1 C1 C20 C37 -121.8(4) . . . . ?
Rh1 N1 C11 C27 -175.8(4) . . . . ?
Rh1 N1 C34 C3 177.2(4) . . . . ?
Rh1 O1 C30 C22 169.6(3) . . . . ?
Rh1 O1 C30 C32 -9.6(4) . . . . ?
Rh1 O4 C32 C24 -178.4(3) . . . . ?
Rh1 O4 C32 C30 3.7(4) . . . . ?
Rh1 C8 C12 C9 115.7(4) . . . . ?
Rh1 C8 C12 C16 -59.8(3) . . . . ?
Rh1 C12 C16 C20 -61.1(3) . . . . ?
Rh1 C12 C16 C35 121.4(5) . . . . ?
Rh1 C16 C20 C1 -59.9(3) . . . . ?
Rh1 C16 C20 C37 121.6(4) . . . . ?
C2 C6 C10 Rh2 119.6(5) . . . . ?
C2 C6 C10 C15 -2.5(8) . . . . ?
C2 C6 C10 C18 -178.8(4) . . . . ?
C2 C6 C14 Rh2 -120.4(5) . . . . ?
C2 C6 C14 C4 -179.8(4) . . . . ?
C2 C6 C14 C38 1.3(7) . . . . ?
N2 N3 C13 O2 -9.7(15) . . . . ?
N2 N3 C13 C23 -172.9(10) . . . . ?
O2 C13 C23 C17 16.1(10) . . . . ?
O2 C13 C23 C21 -163.7(5) . . . . ?
O2 C13 N5 N12 16(2) . . . . ?
O2 C33 N12 N5 -12.7(18) . . . . ?
Rh2 C4 C14 C6 60.5(3) . . . . ?
Rh2 C4 C14 C38 -120.6(5) . . . . ?
Rh2 C4 C18 C10 -60.0(3) . . . . ?
Rh2 C4 C18 C31 115.4(5) . . . . ?
Rh2 N4 C25 C17 -166.4(4) 3_656 . . . ?
Rh2 N4 C39 C21 167.0(4) 3_656 . . . ?
Rh2 C6 C10 C15 -122.2(5) . . . . ?
Rh2 C6 C10 C18 61.5(3) . . . . ?
Rh2 C6 C14 C4 -59.5(3) . . . . ?
Rh2 C6 C14 C38 121.6(4) . . . . ?
Rh2 O6 C28 C24 179.3(3) . . . . ?
Rh2 O6 C28 C26 -1.3(4) . . . . ?
Rh2 O8 C26 C22 169.7(3) . . . . ?
Rh2 O8 C26 C28 -10.3(4) . . . . ?
Rh2 C10 C18 C4 59.6(3) . . . . ?
Rh2 C10 C18 C31 -115.7(5) . . . . ?
C3 C5 C27 C11 -0.2(8) . . . . ?
C3 C5 C33 N2 -164(2) . . . . ?
C3 C5 C33 O2 -2.0(10) . . . . ?
C3 C5 C33 N12 159(2) . . . . ?
N3 N2 C33 O2 7.0(17) . . . . ?
N3 N2 C33 C5 170.0(9) . . . . ?
N3 C13 C23 C17 177.6(19) . . . . ?
N3 C13 C23 C21 -2(2) . . . . ?
C5 C3 C34 N1 -1.9(8) . . . . ?
C5 C33 N12 N5 -175.3(13) . . . . ?
C6 C10 C18 Rh2 -62.1(3) . . . . ?
C6 C10 C18 C4 -2.5(5) . . . . ?
C6 C10 C18 C31 -177.8(4) . . . . ?
C7 C1 C8 Rh1 -116.3(4) . . . . ?
C7 C1 C8 C12 -177.8(4) . . . . ?
C7 C1 C8 C19 2.8(7) . . . . ?
C7 C1 C20 Rh1 117.1(4) . . . . ?
C7 C1 C20 C16 176.7(4) . . . . ?
C7 C1 C20 C37 -4.8(7) . . . . ?
C8 C1 C20 Rh1 -60.1(3) . . . . ?
C8 C1 C20 C16 -0.5(5) . . . . ?
C8 C1 C20 C37 178.0(4) . . . . ?
C8 C12 C16 Rh1 59.5(3) . . . . ?
C8 C12 C16 C20 -1.6(5) . . . . ?
C8 C12 C16 C35 -179.1(4) . . . . ?
O8 C26 C28 O6 7.8(5) . . . . ?
O8 C26 C28 C24 -172.8(4) . . . . ?
C9 C12 C16 Rh1 -116.0(4) . . . . ?
C9 C12 C16 C20 -177.1(4) . . . . ?
C9 C12 C16 C35 5.4(7) . . . . ?
C10 C6 C14 Rh2 59.0(3) . . . . ?
C10 C6 C14 C4 -0.5(5) . . . . ?
C10 C6 C14 C38 -179.4(4) . . . . ?
C11 N1 C34 C3 0.6(7) . . . . ?
C12 C16 C20 C1 1.3(5) . . . . ?
C12 C16 C20 Rh1 61.2(3) . . . . ?
C12 C16 C20 C37 -177.2(4) . . . . ?
C13 O2 C33 N2 -12.4(19) . . . . ?
C13 O2 C33 C5 -175.4(6) . . . . ?
C13 O2 C33 N12 22(2) . . . . ?
C13 N5 N12 C33 -1.9(17) . . . . ?
C14 C4 C18 Rh2 62.2(3) . . . . ?
C14 C4 C18 C10 2.2(5) . . . . ?
C14 C4 C18 C31 177.6(4) . . . . ?
C14 C6 C10 Rh2 -59.7(3) . . . . ?
C14 C6 C10 C15 178.1(4) . . . . ?
C14 C6 C10 C18 1.8(5) . . . . ?
C15 C10 C18 Rh2 121.6(5) . . . . ?
C15 C10 C18 C4 -178.8(4) . . . . ?
C15 C10 C18 C31 5.9(8) . . . . ?
C18 C4 C14 Rh2 -61.6(3) . . . . ?
C18 C4 C14 C6 -1.0(5) . . . . ?
C18 C4 C14 C38 177.8(4) . . . . ?
C19 C8 C12 Rh1 -119.4(5) . . . . ?
C19 C8 C12 C9 -3.8(7) . . . . ?
C19 C8 C12 C16 -179.3(4) . . . . ?
C20 C1 C8 Rh1 60.9(3) . . . . ?
C20 C1 C8 C12 -0.5(5) . . . . ?
C20 C1 C8 C19 -179.9(4) . . . . ?
C22 C26 C28 O6 -172.2(4) . . . . ?
C22 C26 C28 C24 7.2(6) . . . . ?
C22 C30 C32 O4 -175.3(4) . . . . ?
C22 C30 C32 C24 6.7(6) . . . . ?
C23 C13 N5 N12 175.7(11) . . . . ?
C23 C17 C25 N4 0.9(9) . . . . ?
C23 C21 C39 N4 0.6(8) . . . . ?
C25 N4 C39 C21 -2.4(7) . . . . ?
C25 C17 C23 C13 177.6(6) . . . . ?
C25 C17 C23 C21 -2.6(9) . . . . ?
C26 C22 C30 O1 177.6(4) . . . . ?
C26 C22 C30 C32 -3.2(6) . . . . ?
C27 C5 C33 N2 15(2) . . . . ?
C27 C5 C33 O2 176.5(5) . . . . ?
C27 C5 C33 N12 -23(3) . . . . ?
C28 C24 C32 O4 179.4(4) . . . . ?
C28 C24 C32 C30 -2.9(6) . . . . ?
C29 C4 C14 Rh2 122.2(5) . . . . ?
C29 C4 C14 C6 -177.3(4) . . . . ?
C29 C4 C14 C38 1.6(7) . . . . ?
C29 C4 C18 Rh2 -121.5(5) . . . . ?
C29 C4 C18 C10 178.5(4) . . . . ?
C29 C4 C18 C31 -6.1(7) . . . . ?
C30 C22 C26 O8 176.6(4) . . . . ?
C30 C22 C26 C28 -3.4(6) . . . . ?
C32 C24 C28 O6 175.7(4) . . . . ?
C32 C24 C28 C26 -3.7(6) . . . . ?
C33 N2 N3 C13 1.7(12) . . . . ?
C33 O2 C13 N3 13.4(18) . . . . ?
C33 O2 C13 C23 176.9(6) . . . . ?
C33 O2 C13 N5 -23(2) . . . . ?
C33 C5 C27 C11 -178.9(5) . . . . ?
C34 N1 C11 C27 1.0(7) . . . . ?
C34 C3 C5 C27 1.7(8) . . . . ?
C34 C3 C5 C33 -179.7(5) . . . . ?
C35 C16 C20 C1 178.8(4) . . . . ?
C35 C16 C20 Rh1 -121.3(4) . . . . ?
C35 C16 C20 C37 0.3(7) . . . . ?
C39 N4 C25 C17 1.6(7) . . . . ?
C39 C21 C23 C13 -178.3(5) . . . . ?
C39 C21 C23 C17 1.9(8) . . . . ?
O3 S1 C36 F1 -177.7(4) . . . . ?
O3 S1 C36 F2 62.2(4) . . . . ?
O3 S1 C36 F3 -56.9(4) . . . . ?
O5 S1 C36 F1 -57.2(4) . . . . ?
O5 S1 C36 F2 -177.3(4) . . . . ?
O5 S1 C36 F3 63.6(4) . . . . ?
O7 S1 C36 F1 62.3(4) . . . . ?
O7 S1 C36 F2 -57.8(4) . . . . ?
O7 S1 C36 F3 -176.9(4) . . . . ?
N5 C13 C23 C17 -142(3) . . . . ?
N5 C13 C23 C21 39(3) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 426 electrons were 
found in a volume of 1196Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1.5[CF3SO3] per Asymmetric Unit 
which account for 438 electrons 
per unit cell.
;
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 -0.763 -0.258 0.000 597.6 213.2 '3 CF3SO3'
2 -0.274 -0.903 0.500 597.6 213.2 '3 CF3SO3'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2184768'
loop_
_audit_author_name
_audit_author_address
'lilong Dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_audit_creation_date             2022-04-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H42 F N4 O3 Rh2, 2(C F3 O3 S), 1.3[CH3OH]'
_chemical_formula_sum            'C80 H84 F12 N8 O20 Rh4 S4'
_chemical_formula_weight         2245.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   14.2991(8)
_cell_length_b                   9.2719(5)
_cell_length_c                   36.5863(17)
_cell_angle_alpha                90
_cell_angle_beta                 98.401(3)
_cell_angle_gamma                90
_cell_volume                     4798.6(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8511
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      52.58
_cell_measurement_theta_min      2.72
_shelx_estimated_absorpt_T_max   0.516
_shelx_estimated_absorpt_T_min   0.450
_exptl_absorpt_coefficient_mu    4.758
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.6146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0998 before and 0.0652 after correction.
The Ratio of minimum to maximum transmission is 0.8188.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0743
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            32754
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.961
_diffrn_reflns_theta_min         2.124
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_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_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5624
_reflns_number_total             8748
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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)'
_refine_diff_density_max         2.242
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         8748
_refine_ls_number_restraints     575
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0735
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1532P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2054
_refine_ls_wR_factor_ref         0.2338
_refine_special_details          ?
_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. 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
3. 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
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C12(H12), C14(H14), C16(H16), C20(H20), C24(H24), C27(H27), C30(H30),
 C34(H34), C36(H36), C38(H38), C40(H40)
4.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C15(H15A,H15B,H15C),
 C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C37(H37A,H37B,
 H37C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6282(5) 0.6233(7) 0.3261(2) 0.0429(14) Uani 1 1 d . U . . .
H1 H 0.588587 0.687587 0.310625 0.051 Uiso 1 1 calc R U . . .
O1 O 0.6140(4) 0.2786(6) 0.37208(17) 0.0565(13) Uani 1 1 d . U . . .
N1 N 0.1393(4) 1.1102(7) 0.60220(17) 0.0495(14) Uani 1 1 d . U . . .
O10 O 0.8692(3) 0.5945(6) 0.37356(15) 0.0547(13) Uani 1 1 d . U . . .
Rh1 Rh 0.90661(4) 0.79136(7) 0.35175(2) 0.0491(2) Uani 1 1 d . U . . .
C2 C 1.0276(8) 0.7114(15) 0.3301(4) 0.093(2) Uani 1 1 d . U . . .
N2 N 0.3036(7) 0.7448(9) 0.4784(2) 0.075(2) Uani 1 1 d . U . . .
Rh2 Rh 0.46766(4) 0.26231(6) 0.35062(2) 0.0498(2) Uani 1 1 d . U . . .
C3 C 1.0542(7) 0.8164(16) 0.3579(3) 0.089(2) Uani 1 1 d . U . . .
N3 N 0.2801(6) 0.7966(9) 0.5124(2) 0.0724(19) Uani 1 1 d . U . . .
C4 C 0.5937(5) 0.4951(7) 0.3372(2) 0.0428(14) Uani 1 1 d . U . . .
N4 N 0.4397(4) 0.3931(7) 0.39482(19) 0.0523(13) Uani 1 1 d . U . . .
O4 O 0.7617(4) 0.7727(5) 0.32977(15) 0.0502(12) Uani 1 1 d . U . . .
C5 C 1.0190(12) 1.0913(16) 0.3614(5) 0.155(5) Uani 1 1 d . U . . .
H5A H 0.957441 1.139447 0.356555 0.233 Uiso 1 1 calc R U . . .
H5B H 1.066037 1.148093 0.350691 0.233 Uiso 1 1 calc R U . . .
H5C H 1.038358 1.082650 0.388145 0.233 Uiso 1 1 calc R U . . .
C6 C 0.6543(5) 0.3943(8) 0.3627(2) 0.0475(15) Uani 1 1 d . U . . .
O6 O 0.5090(3) 0.4542(6) 0.32661(14) 0.0511(11) Uani 1 1 d . U . . .
C7 C 1.0117(8) 0.9441(14) 0.3444(3) 0.088(2) Uani 1 1 d . U . . .
C8 C 0.7221(5) 0.6568(8) 0.3380(2) 0.0458(14) Uani 1 1 d . U . . .
C9 C 0.5440(8) 0.0490(13) 0.2904(3) 0.102(4) Uani 1 1 d . U . . .
H9A H 0.554508 0.126696 0.273254 0.152 Uiso 1 1 calc R U . . .
H9B H 0.527249 -0.039792 0.276393 0.152 Uiso 1 1 calc R U . . .
H9C H 0.601937 0.033141 0.307820 0.152 Uiso 1 1 calc R U . . .
C10 C 0.7851(5) 0.5543(8) 0.3638(2) 0.0487(15) Uani 1 1 d . U . . .
C11 C 0.2419(6) 0.2698(10) 0.3285(3) 0.070(2) Uani 1 1 d . U . . .
H11A H 0.235140 0.303139 0.353407 0.106 Uiso 1 1 calc R U . . .
H11B H 0.188487 0.207420 0.319128 0.106 Uiso 1 1 calc R U . . .
H11C H 0.243087 0.353205 0.312113 0.106 Uiso 1 1 calc R U . . .
C12 C 0.2057(5) 1.0062(8) 0.6059(2) 0.0536(17) Uani 1 1 d . U . . .
H12 H 0.233551 0.979896 0.630169 0.064 Uiso 1 1 calc R U . . .
C13 C 0.4534(6) 0.0314(9) 0.3478(3) 0.0631(17) Uani 1 1 d . U . . .
C14 C 0.3931(6) 0.5209(9) 0.3878(2) 0.0579(17) Uani 1 1 d . U . . .
H14 H 0.381263 0.555571 0.363140 0.069 Uiso 1 1 calc R U . . .
C15 C 0.5186(7) -0.0737(11) 0.3692(3) 0.083(3) Uani 1 1 d . U . . .
H15A H 0.583597 -0.054175 0.365130 0.124 Uiso 1 1 calc R U . . .
H15B H 0.500868 -0.171880 0.361026 0.124 Uiso 1 1 calc R U . . .
H15C H 0.514107 -0.064217 0.395585 0.124 Uiso 1 1 calc R U . . .
C16 C 0.7475(5) 0.4249(8) 0.3749(2) 0.0528(17) Uani 1 1 d . U . . .
H16 H 0.785689 0.359638 0.390654 0.063 Uiso 1 1 calc R U . . .
C18 C 0.3301(6) 0.1889(9) 0.3298(2) 0.0560(16) Uani 1 1 d . U . . .
C20 C 0.3455(6) 0.6283(10) 0.4828(3) 0.0656(19) Uani 1 1 d . U . . .
H20 H 0.356129 0.587174 0.506789 0.079 Uiso 1 1 calc R U . . .
C21 C 0.9182(13) 0.703(2) 0.2664(4) 0.166(6) Uani 1 1 d . U . . .
H21A H 0.860295 0.755826 0.257145 0.249 Uiso 1 1 calc R U . . .
H21B H 0.902591 0.602283 0.271038 0.249 Uiso 1 1 calc R U . . .
H21C H 0.961676 0.706526 0.248077 0.249 Uiso 1 1 calc R U . . .
C22 C 0.3897(7) 0.1857(10) 0.3006(2) 0.0629(17) Uani 1 1 d . U . . .
C23 C 0.3298(6) 0.0599(10) 0.3928(3) 0.067(2) Uani 1 1 d . U . . .
H23A H 0.380772 0.030594 0.412322 0.101 Uiso 1 1 calc R U . . .
H23B H 0.283661 -0.018482 0.388099 0.101 Uiso 1 1 calc R U . . .
H23C H 0.298646 0.146150 0.400745 0.101 Uiso 1 1 calc R U . . .
C24 C 0.4574(6) 0.3487(9) 0.4298(2) 0.0574(17) Uani 1 1 d . U . . .
H24 H 0.491539 0.261483 0.435118 0.069 Uiso 1 1 calc R U . . .
C25 C 0.3750(9) 0.2698(12) 0.2662(3) 0.083(3) Uani 1 1 d . U . . .
H25A H 0.363827 0.371094 0.271848 0.125 Uiso 1 1 calc R U . . .
H25B H 0.320132 0.231768 0.249829 0.125 Uiso 1 1 calc R U . . .
H25C H 0.431288 0.262569 0.253870 0.125 Uiso 1 1 calc R U . . .
C26 C 0.1961(6) 0.9705(9) 0.5406(2) 0.0595(17) Uani 1 1 d . U . . .
C27 C 0.2238(6) 0.9008(10) 0.5081(2) 0.066(2) Uani 1 1 d . U . . .
H27 H 0.199565 0.933972 0.483956 0.080 Uiso 1 1 calc R U . . .
C28 C 0.3708(6) 0.0929(9) 0.3578(2) 0.0578(16) Uani 1 1 d . U . . .
C29 C 0.9661(9) 0.7730(16) 0.3030(4) 0.095(2) Uani 1 1 d . U . . .
C30 C 0.1014(6) 1.1454(10) 0.5677(2) 0.0598(18) Uani 1 1 d . U . . .
H30 H 0.054691 1.218876 0.564204 0.072 Uiso 1 1 calc R U . . .
C32 C 0.3800(6) 0.5496(9) 0.4520(2) 0.0575(17) Uani 1 1 d . U . . .
C34 C 0.3621(6) 0.6028(10) 0.4161(2) 0.0627(18) Uani 1 1 d . U . . .
H34 H 0.329974 0.691806 0.410915 0.075 Uiso 1 1 calc R U . . .
C35 C 0.9565(8) 0.9191(15) 0.3111(3) 0.093(2) Uani 1 1 d . U . . .
C36 C 0.4289(6) 0.4230(9) 0.4580(3) 0.0610(18) Uani 1 1 d . U . . .
H36 H 0.443046 0.386556 0.482429 0.073 Uiso 1 1 calc R U . . .
C37 C 1.1166(10) 0.794(2) 0.3940(4) 0.151(5) Uani 1 1 d . U . . .
H37A H 1.107669 0.872822 0.410900 0.227 Uiso 1 1 calc R U . . .
H37B H 1.182842 0.790844 0.389955 0.227 Uiso 1 1 calc R U . . .
H37C H 1.100251 0.702002 0.404904 0.227 Uiso 1 1 calc R U . . .
C38 C 0.1273(6) 1.0800(10) 0.5373(2) 0.0653(19) Uani 1 1 d . U . . .
H38 H 0.098244 1.108884 0.513435 0.078 Uiso 1 1 calc R U . . .
C40 C 0.2355(6) 0.9357(9) 0.5765(2) 0.0573(17) Uani 1 1 d . U . . .
H40 H 0.282876 0.863429 0.580740 0.069 Uiso 1 1 calc R U . . .
C41 C 1.0626(11) 0.5543(18) 0.3353(6) 0.161(5) Uani 1 1 d . U . . .
H41A H 1.063567 0.525511 0.361094 0.242 Uiso 1 1 calc R U . . .
H41B H 1.126498 0.546949 0.328746 0.242 Uiso 1 1 calc R U . . .
H41C H 1.019921 0.490657 0.319225 0.242 Uiso 1 1 calc R U . . .
C42 C 0.4637(7) 0.0909(10) 0.3116(3) 0.0709(18) Uani 1 1 d . U . . .
C43 C 0.8936(10) 1.015(2) 0.2863(5) 0.161(6) Uani 1 1 d . U . . .
H43A H 0.931001 1.068766 0.270535 0.242 Uiso 1 1 calc R U . . .
H43B H 0.862174 1.082390 0.301148 0.242 Uiso 1 1 calc R U . . .
H43C H 0.845988 0.956756 0.270891 0.242 Uiso 1 1 calc R U . . .
O2 O 0.2740(9) 0.7993(14) 0.3256(3) 0.157(4) Uani 1 1 d . U . . .
S2 S 0.3027(3) 0.7405(4) 0.29346(10) 0.1094(11) Uani 1 1 d . U . . .
F3 F 0.2570(9) 0.9810(10) 0.2625(3) 0.202(4) Uani 1 1 d . U . . .
F4 F 0.1427(6) 0.8213(10) 0.2611(3) 0.141(3) Uani 1 1 d . U . . .
F6 F 0.2565(8) 0.8044(13) 0.2256(3) 0.171(4) Uani 1 1 d . U . . .
O7 O 0.2687(8) 0.5982(10) 0.2847(3) 0.151(4) Uani 1 1 d . U . . .
O8 O 0.3974(7) 0.7776(10) 0.2852(3) 0.117(3) Uani 1 1 d . U . . .
S1 S 0.8473(2) 0.7024(3) 0.55210(8) 0.0844(7) Uani 1 1 d . U . . .
F2 F 0.9583(9) 0.4806(10) 0.5493(3) 0.176(4) Uani 1 1 d . U . . .
O3 O 0.7907(8) 0.6523(15) 0.5196(3) 0.150(4) Uani 1 1 d . U . . .
F5 F 1.0261(7) 0.6645(13) 0.5782(3) 0.169(3) Uani 1 1 d . U . . .
O5 O 0.8700(7) 0.8535(9) 0.5522(2) 0.114(3) Uani 1 1 d . U . . .
F7 F 0.9932(7) 0.6623(11) 0.5172(3) 0.161(4) Uani 1 1 d . U . . .
O9 O 0.8258(7) 0.6460(10) 0.5856(2) 0.116(3) Uani 1 1 d . U . . .
C31 C 0.9620(12) 0.6191(17) 0.5489(4) 0.119(3) Uani 1 1 d . U . . .
C17 C 0.2340(12) 0.8403(17) 0.2614(5) 0.123(3) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 H1 0.9500 . ?
C1 C4 1.370(10) . ?
C1 C8 1.387(10) . ?
O1 Rh2 2.130(5) . ?
O1 C6 1.288(9) . ?
N1 Rh1 2.104(6) 3_676 ?
N1 C12 1.346(9) . ?
N1 C30 1.340(10) . ?
O10 Rh1 2.092(5) . ?
O10 C10 1.260(9) . ?
Rh1 C2 2.138(10) . ?
Rh1 C3 2.103(10) . ?
Rh1 O4 2.117(5) . ?
Rh1 C7 2.111(9) . ?
Rh1 C29 2.091(11) . ?
Rh1 C35 2.106(10) . ?
C2 C3 1.419(18) . ?
C2 C29 1.353(18) . ?
C2 C41 1.542(19) . ?
N2 N3 1.420(12) . ?
N2 C20 1.235(12) . ?
Rh2 N4 2.106(6) . ?
Rh2 O6 2.107(5) . ?
Rh2 C13 2.151(8) . ?
Rh2 C18 2.115(8) . ?
Rh2 C22 2.120(9) . ?
Rh2 C28 2.136(8) . ?
Rh2 C42 2.132(9) . ?
C3 C7 1.389(17) . ?
C3 C37 1.498(18) . ?
N3 C27 1.253(11) . ?
C4 C6 1.503(10) . ?
C4 O6 1.275(8) . ?
N4 C14 1.365(10) . ?
N4 C24 1.332(10) . ?
O4 C8 1.271(9) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C7 1.498(18) . ?
C6 C16 1.372(11) . ?
C7 C35 1.371(16) . ?
C8 C10 1.534(10) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C42 1.528(12) . ?
C10 C16 1.400(10) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C18 1.462(13) . ?
C12 H12 0.9500 . ?
C12 C40 1.380(11) . ?
C13 C15 1.489(13) . ?
C13 C28 1.408(12) . ?
C13 C42 1.463(13) . ?
C14 H14 0.9500 . ?
C14 C34 1.407(11) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 0.9500 . ?
C18 C22 1.460(12) . ?
C18 C28 1.416(12) . ?
C20 H20 0.9500 . ?
C20 C32 1.485(11) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C21 C29 1.554(19) . ?
C22 C25 1.472(14) . ?
C22 C42 1.389(14) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C28 1.516(11) . ?
C24 H24 0.9500 . ?
C24 C36 1.352(12) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.460(11) . ?
C26 C38 1.406(11) . ?
C26 C40 1.387(11) . ?
C27 H27 0.9500 . ?
C29 C35 1.397(18) . ?
C30 H30 0.9500 . ?
C30 C38 1.363(12) . ?
C32 C34 1.389(12) . ?
C32 C36 1.367(12) . ?
C34 H34 0.9500 . ?
C35 C43 1.475(16) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 0.9500 . ?
C40 H40 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
O2 S2 1.412(10) . ?
S2 O7 1.427(9) . ?
S2 O8 1.471(10) . ?
S2 C17 1.692(17) . ?
F3 C17 1.344(17) . ?
F4 C17 1.315(17) . ?
F6 C17 1.434(18) . ?
S1 O3 1.416(10) . ?
S1 O5 1.438(9) . ?
S1 O9 1.406(8) . ?
S1 C31 1.832(16) . ?
F2 C31 1.286(17) . ?
F5 C31 1.371(18) . ?
F7 C31 1.362(15) . ?

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
C4 C1 H1 120.8 . . ?
C4 C1 C8 118.4(7) . . ?
C8 C1 H1 120.8 . . ?
C6 O1 Rh2 114.4(5) . . ?
C12 N1 Rh1 121.9(5) . 3_676 ?
C30 N1 Rh1 121.3(5) . 3_676 ?
C30 N1 C12 116.8(7) . . ?
C10 O10 Rh1 115.9(5) . . ?
N1 Rh1 C2 144.2(4) 3_676 . ?
N1 Rh1 O4 86.4(2) 3_676 . ?
N1 Rh1 C7 97.0(4) 3_676 . ?
N1 Rh1 C35 120.0(4) 3_676 . ?
O10 Rh1 N1 86.9(2) . 3_676 ?
O10 Rh1 C2 96.0(4) . . ?
O10 Rh1 C3 111.3(4) . . ?
O10 Rh1 O4 77.47(19) . . ?
O10 Rh1 C7 149.4(4) . . ?
O10 Rh1 C35 153.1(4) . . ?
C3 Rh1 N1 107.0(4) . 3_676 ?
C3 Rh1 C2 39.1(5) . . ?
C3 Rh1 O4 164.0(4) . . ?
C3 Rh1 C7 38.5(5) . . ?
C3 Rh1 C35 64.9(5) . . ?
O4 Rh1 C2 129.1(4) . . ?
C7 Rh1 C2 63.6(5) . . ?
C7 Rh1 O4 133.0(4) . . ?
C29 Rh1 N1 158.6(4) . 3_676 ?
C29 Rh1 O10 114.4(4) . . ?
C29 Rh1 C2 37.3(5) . . ?
C29 Rh1 C3 64.8(5) . . ?
C29 Rh1 O4 99.6(4) . . ?
C29 Rh1 C7 63.9(5) . . ?
C29 Rh1 C35 38.9(5) . . ?
C35 Rh1 C2 63.8(5) . . ?
C35 Rh1 O4 101.0(4) . . ?
C35 Rh1 C7 38.0(5) . . ?
C3 C2 Rh1 69.1(6) . . ?
C3 C2 C41 120.8(14) . . ?
C29 C2 Rh1 69.5(6) . . ?
C29 C2 C3 108.2(12) . . ?
C29 C2 C41 130.8(15) . . ?
C41 C2 Rh1 123.2(9) . . ?
C20 N2 N3 110.8(9) . . ?
O1 Rh2 C13 99.7(3) . . ?
O1 Rh2 C28 128.8(3) . . ?
O1 Rh2 C42 103.2(3) . . ?
N4 Rh2 O1 87.9(2) . . ?
N4 Rh2 O6 86.0(2) . . ?
N4 Rh2 C13 125.6(3) . . ?
N4 Rh2 C18 101.0(3) . . ?
N4 Rh2 C22 136.1(3) . . ?
N4 Rh2 C28 97.4(3) . . ?
N4 Rh2 C42 162.6(3) . . ?
O6 Rh2 O1 76.9(2) . . ?
O6 Rh2 C13 148.3(3) . . ?
O6 Rh2 C18 115.1(3) . . ?
O6 Rh2 C22 93.9(3) . . ?
O6 Rh2 C28 154.0(3) . . ?
O6 Rh2 C42 109.4(3) . . ?
C18 Rh2 O1 165.3(3) . . ?
C18 Rh2 C13 65.5(3) . . ?
C18 Rh2 C22 40.3(3) . . ?
C18 Rh2 C28 38.9(3) . . ?
C18 Rh2 C42 65.6(3) . . ?
C22 Rh2 O1 134.9(3) . . ?
C22 Rh2 C13 65.9(4) . . ?
C22 Rh2 C28 65.8(3) . . ?
C22 Rh2 C42 38.1(4) . . ?
C28 Rh2 C13 38.3(3) . . ?
C42 Rh2 C13 39.9(3) . . ?
C42 Rh2 C28 65.2(3) . . ?
C2 C3 Rh1 71.8(6) . . ?
C2 C3 C37 126.7(14) . . ?
C7 C3 Rh1 71.1(6) . . ?
C7 C3 C2 105.8(11) . . ?
C7 C3 C37 127.5(14) . . ?
C37 C3 Rh1 122.6(8) . . ?
C27 N3 N2 112.3(8) . . ?
C1 C4 C6 121.6(6) . . ?
O6 C4 C1 122.4(7) . . ?
O6 C4 C6 116.1(6) . . ?
C14 N4 Rh2 119.9(6) . . ?
C24 N4 Rh2 121.9(6) . . ?
C24 N4 C14 117.9(7) . . ?
C8 O4 Rh1 115.1(5) . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C5 H5A 109.5 . . ?
C7 C5 H5B 109.5 . . ?
C7 C5 H5C 109.5 . . ?
O1 C6 C4 116.4(6) . . ?
O1 C6 C16 122.4(7) . . ?
C16 C6 C4 121.2(7) . . ?
C4 O6 Rh2 115.9(5) . . ?
C3 C7 Rh1 70.4(6) . . ?
C3 C7 C5 128.9(14) . . ?
C5 C7 Rh1 124.5(8) . . ?
C35 C7 Rh1 70.9(6) . . ?
C35 C7 C3 109.8(12) . . ?
C35 C7 C5 121.3(14) . . ?
C1 C8 C10 120.6(6) . . ?
O4 C8 C1 124.0(7) . . ?
O4 C8 C10 115.3(6) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C42 C9 H9A 109.5 . . ?
C42 C9 H9B 109.5 . . ?
C42 C9 H9C 109.5 . . ?
O10 C10 C8 116.2(6) . . ?
O10 C10 C16 124.2(7) . . ?
C16 C10 C8 119.6(7) . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C18 C11 H11A 109.5 . . ?
C18 C11 H11B 109.5 . . ?
C18 C11 H11C 109.5 . . ?
N1 C12 H12 118.2 . . ?
N1 C12 C40 123.7(7) . . ?
C40 C12 H12 118.2 . . ?
C15 C13 Rh2 125.3(7) . . ?
C28 C13 Rh2 70.2(5) . . ?
C28 C13 C15 127.8(9) . . ?
C28 C13 C42 106.4(8) . . ?
C42 C13 Rh2 69.3(5) . . ?
C42 C13 C15 125.8(8) . . ?
N4 C14 H14 119.1 . . ?
N4 C14 C34 121.9(8) . . ?
C34 C14 H14 119.1 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C16 C10 118.5(7) . . ?
C6 C16 H16 120.7 . . ?
C10 C16 H16 120.7 . . ?
C11 C18 Rh2 126.8(6) . . ?
C22 C18 Rh2 70.0(5) . . ?
C22 C18 C11 125.4(9) . . ?
C28 C18 Rh2 71.4(5) . . ?
C28 C18 C11 127.4(8) . . ?
C28 C18 C22 107.1(8) . . ?
N2 C20 H20 118.6 . . ?
N2 C20 C32 122.7(9) . . ?
C32 C20 H20 118.6 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C29 C21 H21A 109.5 . . ?
C29 C21 H21B 109.5 . . ?
C29 C21 H21C 109.5 . . ?
C18 C22 Rh2 69.6(5) . . ?
C18 C22 C25 126.2(9) . . ?
C25 C22 Rh2 123.6(6) . . ?
C42 C22 Rh2 71.4(6) . . ?
C42 C22 C18 107.7(8) . . ?
C42 C22 C25 126.1(9) . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C28 C23 H23A 109.5 . . ?
C28 C23 H23B 109.5 . . ?
C28 C23 H23C 109.5 . . ?
N4 C24 H24 118.7 . . ?
N4 C24 C36 122.6(8) . . ?
C36 C24 H24 118.7 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C38 C26 C27 121.3(8) . . ?
C40 C26 C27 123.2(8) . . ?
C40 C26 C38 115.5(8) . . ?
N3 C27 C26 118.9(8) . . ?
N3 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C13 C28 Rh2 71.4(5) . . ?
C13 C28 C18 109.8(8) . . ?
C13 C28 C23 125.5(8) . . ?
C18 C28 Rh2 69.7(4) . . ?
C18 C28 C23 124.8(8) . . ?
C23 C28 Rh2 126.1(6) . . ?
C2 C29 Rh1 73.2(7) . . ?
C2 C29 C21 127.7(15) . . ?
C2 C29 C35 109.2(12) . . ?
C21 C29 Rh1 125.9(9) . . ?
C35 C29 Rh1 71.2(6) . . ?
C35 C29 C21 122.8(15) . . ?
N1 C30 H30 118.7 . . ?
N1 C30 C38 122.6(8) . . ?
C38 C30 H30 118.7 . . ?
C34 C32 C20 120.4(8) . . ?
C36 C32 C20 121.2(8) . . ?
C36 C32 C34 118.4(8) . . ?
C14 C34 H34 121.0 . . ?
C32 C34 C14 118.0(8) . . ?
C32 C34 H34 121.0 . . ?
C7 C35 Rh1 71.2(6) . . ?
C7 C35 C29 106.8(12) . . ?
C7 C35 C43 131.6(16) . . ?
C29 C35 Rh1 70.0(7) . . ?
C29 C35 C43 121.6(15) . . ?
C43 C35 Rh1 122.2(8) . . ?
C24 C36 C32 121.3(9) . . ?
C24 C36 H36 119.4 . . ?
C32 C36 H36 119.4 . . ?
C3 C37 H37A 109.5 . . ?
C3 C37 H37B 109.5 . . ?
C3 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C26 C38 H38 119.3 . . ?
C30 C38 C26 121.4(8) . . ?
C30 C38 H38 119.3 . . ?
C12 C40 C26 119.9(8) . . ?
C12 C40 H40 120.0 . . ?
C26 C40 H40 120.0 . . ?
C2 C41 H41A 109.5 . . ?
C2 C41 H41B 109.5 . . ?
C2 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C9 C42 Rh2 125.6(7) . . ?
C13 C42 Rh2 70.7(5) . . ?
C13 C42 C9 123.1(10) . . ?
C22 C42 Rh2 70.5(5) . . ?
C22 C42 C9 127.8(10) . . ?
C22 C42 C13 109.0(8) . . ?
C35 C43 H43A 109.5 . . ?
C35 C43 H43B 109.5 . . ?
C35 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O2 S2 O7 114.4(7) . . ?
O2 S2 O8 118.0(6) . . ?
O2 S2 C17 99.0(9) . . ?
O7 S2 O8 117.7(7) . . ?
O7 S2 C17 101.9(7) . . ?
O8 S2 C17 100.9(7) . . ?
O3 S1 O5 115.1(7) . . ?
O3 S1 C31 102.4(8) . . ?
O5 S1 C31 101.9(7) . . ?
O9 S1 O3 116.0(6) . . ?
O9 S1 O5 116.0(6) . . ?
O9 S1 C31 102.1(6) . . ?
F2 C31 S1 112.5(13) . . ?
F2 C31 F5 108.7(14) . . ?
F2 C31 F7 108.8(13) . . ?
F5 C31 S1 108.8(10) . . ?
F7 C31 S1 109.8(10) . . ?
F7 C31 F5 108.1(14) . . ?
F3 C17 S2 113.3(11) . . ?
F3 C17 F6 99.6(13) . . ?
F4 C17 S2 114.0(12) . . ?
F4 C17 F3 111.6(16) . . ?
F4 C17 F6 108.5(13) . . ?
F6 C17 S2 108.7(12) . . ?

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
C1 C4 C6 O1 178.2(7) . . . . ?
C1 C4 C6 C16 -2.2(11) . . . . ?
C1 C4 O6 Rh2 -174.9(5) . . . . ?
C1 C8 C10 O10 -179.1(7) . . . . ?
C1 C8 C10 C16 0.7(11) . . . . ?
O1 C6 C16 C10 -179.1(7) . . . . ?
N1 C12 C40 C26 -0.3(13) . . . . ?
N1 C30 C38 C26 0.0(15) . . . . ?
O10 C10 C16 C6 179.1(7) . . . . ?
Rh1 N1 C12 C40 177.8(6) 3_676 . . . ?
Rh1 N1 C30 C38 -177.6(7) 3_676 . . . ?
Rh1 O10 C10 C8 -1.3(9) . . . . ?
Rh1 O10 C10 C16 178.9(6) . . . . ?
Rh1 C2 C3 C7 -63.4(7) . . . . ?
Rh1 C2 C3 C37 117.5(11) . . . . ?
Rh1 C2 C29 C21 -122.7(13) . . . . ?
Rh1 C2 C29 C35 62.5(8) . . . . ?
Rh1 C3 C7 C5 119.0(11) . . . . ?
Rh1 C3 C7 C35 -60.2(7) . . . . ?
Rh1 O4 C8 C1 -179.3(6) . . . . ?
Rh1 O4 C8 C10 2.5(8) . . . . ?
Rh1 C7 C35 C29 -61.2(7) . . . . ?
Rh1 C7 C35 C43 116.8(12) . . . . ?
Rh1 C29 C35 C7 62.0(7) . . . . ?
Rh1 C29 C35 C43 -116.2(10) . . . . ?
C2 C3 C7 Rh1 63.9(7) . . . . ?
C2 C3 C7 C5 -177.1(10) . . . . ?
C2 C3 C7 C35 3.7(11) . . . . ?
C2 C29 C35 Rh1 -63.8(8) . . . . ?
C2 C29 C35 C7 -1.8(12) . . . . ?
C2 C29 C35 C43 180.0(9) . . . . ?
N2 N3 C27 C26 -177.3(8) . . . . ?
N2 C20 C32 C34 -2.9(14) . . . . ?
N2 C20 C32 C36 177.8(9) . . . . ?
Rh2 O1 C6 C4 -2.5(8) . . . . ?
Rh2 O1 C6 C16 177.9(6) . . . . ?
Rh2 N4 C14 C34 171.7(6) . . . . ?
Rh2 N4 C24 C36 -171.3(6) . . . . ?
Rh2 C13 C28 C18 59.4(6) . . . . ?
Rh2 C13 C28 C23 -121.6(8) . . . . ?
Rh2 C13 C42 C9 120.5(9) . . . . ?
Rh2 C13 C42 C22 -60.3(6) . . . . ?
Rh2 C18 C22 C25 -117.3(9) . . . . ?
Rh2 C18 C22 C42 61.6(6) . . . . ?
Rh2 C18 C28 C13 -60.4(6) . . . . ?
Rh2 C18 C28 C23 120.6(8) . . . . ?
Rh2 C22 C42 C9 -120.4(10) . . . . ?
Rh2 C22 C42 C13 60.5(6) . . . . ?
C3 C2 C29 Rh1 -58.4(8) . . . . ?
C3 C2 C29 C21 178.9(12) . . . . ?
C3 C2 C29 C35 4.1(13) . . . . ?
C3 C7 C35 Rh1 59.9(7) . . . . ?
C3 C7 C35 C29 -1.3(12) . . . . ?
C3 C7 C35 C43 176.7(11) . . . . ?
N3 N2 C20 C32 -179.1(8) . . . . ?
C4 C1 C8 O4 -179.6(7) . . . . ?
C4 C1 C8 C10 -1.4(11) . . . . ?
C4 C6 C16 C10 1.3(12) . . . . ?
N4 C14 C34 C32 -0.2(12) . . . . ?
N4 C24 C36 C32 -0.3(13) . . . . ?
O4 C8 C10 O10 -0.8(10) . . . . ?
O4 C8 C10 C16 179.0(7) . . . . ?
C5 C7 C35 Rh1 -119.3(10) . . . . ?
C5 C7 C35 C29 179.4(10) . . . . ?
C5 C7 C35 C43 -2.6(17) . . . . ?
C6 C4 O6 Rh2 5.0(8) . . . . ?
O6 C4 C6 O1 -1.7(10) . . . . ?
O6 C4 C6 C16 178.0(7) . . . . ?
C8 C1 C4 C6 2.1(11) . . . . ?
C8 C1 C4 O6 -178.0(7) . . . . ?
C8 C10 C16 C6 -0.7(12) . . . . ?
C11 C18 C22 Rh2 121.6(8) . . . . ?
C11 C18 C22 C25 4.3(14) . . . . ?
C11 C18 C22 C42 -176.8(8) . . . . ?
C11 C18 C28 Rh2 -122.5(9) . . . . ?
C11 C18 C28 C13 177.0(8) . . . . ?
C11 C18 C28 C23 -1.9(14) . . . . ?
C12 N1 C30 C38 0.4(12) . . . . ?
C14 N4 C24 C36 1.9(12) . . . . ?
C15 C13 C28 Rh2 120.0(9) . . . . ?
C15 C13 C28 C18 179.3(9) . . . . ?
C15 C13 C28 C23 -1.7(14) . . . . ?
C15 C13 C42 Rh2 -119.3(9) . . . . ?
C15 C13 C42 C9 1.2(14) . . . . ?
C15 C13 C42 C22 -179.7(9) . . . . ?
C18 C22 C42 Rh2 -60.5(6) . . . . ?
C18 C22 C42 C9 179.1(9) . . . . ?
C18 C22 C42 C13 0.0(10) . . . . ?
C20 N2 N3 C27 -168.4(9) . . . . ?
C20 C32 C34 C14 -177.5(7) . . . . ?
C20 C32 C36 C24 177.7(8) . . . . ?
C21 C29 C35 Rh1 121.1(12) . . . . ?
C21 C29 C35 C7 -176.9(11) . . . . ?
C21 C29 C35 C43 4.9(17) . . . . ?
C22 C18 C28 Rh2 61.3(5) . . . . ?
C22 C18 C28 C13 0.9(9) . . . . ?
C22 C18 C28 C23 -178.1(8) . . . . ?
C24 N4 C14 C34 -1.7(11) . . . . ?
C25 C22 C42 Rh2 118.5(9) . . . . ?
C25 C22 C42 C9 -1.9(16) . . . . ?
C25 C22 C42 C13 178.9(9) . . . . ?
C27 C26 C38 C30 -179.9(9) . . . . ?
C27 C26 C40 C12 -180.0(8) . . . . ?
C28 C13 C42 Rh2 60.8(6) . . . . ?
C28 C13 C42 C9 -178.7(9) . . . . ?
C28 C13 C42 C22 0.5(10) . . . . ?
C28 C18 C22 Rh2 -62.1(6) . . . . ?
C28 C18 C22 C25 -179.5(9) . . . . ?
C28 C18 C22 C42 -0.5(9) . . . . ?
C29 C2 C3 Rh1 58.6(8) . . . . ?
C29 C2 C3 C7 -4.8(12) . . . . ?
C29 C2 C3 C37 176.1(11) . . . . ?
C30 N1 C12 C40 -0.2(11) . . . . ?
C34 C32 C36 C24 -1.6(13) . . . . ?
C36 C32 C34 C14 1.8(12) . . . . ?
C37 C3 C7 Rh1 -117.0(12) . . . . ?
C37 C3 C7 C5 2.0(18) . . . . ?
C37 C3 C7 C35 -177.2(11) . . . . ?
C38 C26 C27 N3 -174.7(9) . . . . ?
C38 C26 C40 C12 0.6(12) . . . . ?
C40 C26 C27 N3 6.0(14) . . . . ?
C40 C26 C38 C30 -0.5(14) . . . . ?
C41 C2 C3 Rh1 -117.1(11) . . . . ?
C41 C2 C3 C7 179.5(10) . . . . ?
C41 C2 C3 C37 0.4(17) . . . . ?
C41 C2 C29 Rh1 116.7(13) . . . . ?
C41 C2 C29 C21 -6(2) . . . . ?
C41 C2 C29 C35 179.2(11) . . . . ?
C42 C13 C28 Rh2 -60.2(6) . . . . ?
C42 C13 C28 C18 -0.8(9) . . . . ?
C42 C13 C28 C23 178.1(8) . . . . ?
O2 S2 C17 F3 66.5(15) . . . . ?
O2 S2 C17 F4 -62.6(13) . . . . ?
O2 S2 C17 F6 176.2(9) . . . . ?
O7 S2 C17 F3 -176.0(14) . . . . ?
O7 S2 C17 F4 54.8(14) . . . . ?
O7 S2 C17 F6 -66.3(11) . . . . ?
O8 S2 C17 F3 -54.5(16) . . . . ?
O8 S2 C17 F4 176.4(11) . . . . ?
O8 S2 C17 F6 55.3(10) . . . . ?
O3 S1 C31 F2 -62.3(13) . . . . ?
O3 S1 C31 F5 177.2(11) . . . . ?
O3 S1 C31 F7 59.0(14) . . . . ?
O5 S1 C31 F2 178.4(11) . . . . ?
O5 S1 C31 F5 57.8(12) . . . . ?
O5 S1 C31 F7 -60.4(13) . . . . ?
O9 S1 C31 F2 58.2(14) . . . . ?
O9 S1 C31 F5 -62.4(12) . . . . ?
O9 S1 C31 F7 179.5(12) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 86 electrons were 
found in a volume of 572Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1.3[CH3OH] per Asymmetric Unit 
which account for 94 electrons 
per unit cell.
;
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 -0.062 0.180 0.814 16.0 0.0 ?
2 -0.062 0.320 0.314 16.0 0.0 ?
3 0.062 0.680 0.686 16.0 0.0 ?
4 0.062 0.820 0.186 16.0 0.0 ?
5 0.500 0.500 0.000 254.4 42.8 '2.6 CH3OH'
6 0.500 0.000 0.500 254.4 42.8 '2.6 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p21c_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2184771'
loop_
_audit_author_name
_audit_author_address
'lilong Dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_audit_creation_date             2022-04-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C100 H92 N8 O10 Rh4, 4(C F3 O3 S), 0.3[CH3OH], 3.4[C6H14O]'
_chemical_formula_sum            'C124.70 H140.80 F12 N8 O25.70 Rh4 S4'
_chemical_formula_weight         2930.72
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   38.9323(13)
_cell_length_b                   29.3060(10)
_cell_length_c                   12.4311(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14183.3(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9725
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      53.94
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.653
_shelx_estimated_absorpt_T_min   0.602
_exptl_absorpt_coefficient_mu    3.324
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1182 before and 0.0642 after correction.
The Ratio of minimum to maximum transmission is 0.6446.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark pink'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6010
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            89968
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.980
_diffrn_reflns_theta_min         1.974
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_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_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11275
_reflns_number_total             13228
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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)'
_refine_diff_density_max         2.436
_refine_diff_density_min         -0.821
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         13228
_refine_ls_number_restraints     682
_refine_ls_R_factor_all          0.1003
_refine_ls_R_factor_gt           0.0923
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0695P)²+158.9097P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2263
_refine_ls_wR_factor_ref         0.2305
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H10A,H10B,H10C} of C10, {H18A,H18B,H18C} of C18, {H52A,
  H52B,H52C} of C52, {H36A,H36B,H36C} of C36
 At 1.5 times of:
  {H3A,H3B,H3C} of C3, {H6A,H6B,H6C} of C6, {H22A,H22B,H22C} of C22, {H17A,
  H17B,H17C} of C17, {H31A,H31B,H31C} of C31, {H38A,H38B,H38C} of C38
2. 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
3. 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
4.a Riding coordinates:
 C52(H52A,H52B,H52C), C4(H4), C7(H7), C10(H10A,H10B,H10C), C13(H13), C18(H18A,
 H18B,H18C), C19(H19), C23(H23), C24(H24), C30(H30), C32(H32), C33(H33),
 C35(H35), C36(H36A,H36B,H36C), C45(H45), C46(H46), C50(H50)
4.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C39(H39), C51(H51)
4.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C6(H6A,H6B,H6C), C17(H17A,H17B,H17C), C22(H22A,H22B,H22C),
 C31(H31A,H31B,H31C), C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.35897(17) 0.7008(3) 1.1224(6) 0.0357(14) Uani 1 1 d . U . . .
N1 N 0.41103(16) 0.6081(2) 1.0259(6) 0.0473(14) Uani 1 1 d . U . . .
O1 O 0.41991(12) 0.65766(17) 1.2141(4) 0.0418(11) Uani 1 1 d . U . . .
Rh1 Rh 0.65680(2) 0.60631(2) 0.44560(5) 0.04011(17) Uani 1 1 d . U . . .
C52 C 0.4289(3) 0.5097(4) 1.1792(13) 0.104(4) Uani 1 1 d . U . . .
H52A H 0.426304 0.501735 1.102967 0.125 Uiso 1 1 d R U . . .
H52B H 0.431654 0.481695 1.221557 0.125 Uiso 1 1 d R U . . .
H52C H 0.449234 0.529055 1.188317 0.125 Uiso 1 1 d R U . . .
C2 C 0.41700(17) 0.7002(3) 1.2015(6) 0.0370(14) Uani 1 1 d . U . . .
Rh2 Rh 0.38598(2) 0.60638(2) 1.17667(5) 0.04061(18) Uani 1 1 d . U . . .
C3 C 0.3537(4) 0.5131(5) 1.0697(12) 0.119(5) Uani 1 1 d . U . . .
H3A H 0.330777 0.523371 1.047411 0.178 Uiso 1 1 calc R U . . .
H3B H 0.353139 0.480242 1.083888 0.178 Uiso 1 1 calc R U . . .
H3C H 0.370208 0.519523 1.012195 0.178 Uiso 1 1 calc R U . . .
N3 N 0.60605(17) 0.6096(3) 0.5066(6) 0.0510(15) Uani 1 1 d . U . . .
C4 C 0.5070(2) 0.7275(3) 1.2932(9) 0.062(2) Uani 1 1 d . U . . .
H4 H 0.527813 0.712254 1.311278 0.074 Uiso 1 1 d R U . . .
N4 N 0.4758(2) 0.6116(5) 0.5605(7) 0.097(2) Uani 1 1 d . U . . .
O4 O 0.66747(14) 0.65764(17) 0.5532(4) 0.0432(11) Uani 1 1 d . U . . .
C5 C 0.6576(3) 0.5344(3) 0.4207(10) 0.070(2) Uani 1 1 d . U . . .
N5 N 0.4481(2) 0.6119(4) 0.6303(7) 0.094(2) Uani 1 1 d . U . . .
C6 C 0.4293(4) 0.5707(5) 1.3762(11) 0.111(4) Uani 1 1 d . U . . .
H6A H 0.426495 0.597381 1.422778 0.166 Uiso 1 1 calc R U . . .
H6B H 0.448868 0.575555 1.327825 0.166 Uiso 1 1 calc R U . . .
H6C H 0.433535 0.543589 1.420496 0.166 Uiso 1 1 calc R U . . .
O6 O 0.35628(12) 0.65759(17) 1.1137(4) 0.0429(11) Uani 1 1 d . U . . .
C7 C 0.2749(2) 0.7259(4) 0.9929(10) 0.079(3) Uani 1 1 d . U . . .
H7 H 0.255882 0.709869 0.963380 0.094 Uiso 1 1 d R U . . .
C8 C 0.66779(18) 0.7007(2) 0.5398(6) 0.0362(14) Uani 1 1 d . U . . .
O8 O 0.63932(14) 0.65768(17) 0.3461(4) 0.0446(12) Uani 1 1 d . U . . .
C9 C 0.6679(3) 0.5567(4) 0.3267(9) 0.0666(19) Uani 1 1 d . U . . .
C10 C 0.6510(3) 0.5552(5) 0.2162(10) 0.110(4) Uani 1 1 d . U . . .
H10A H 0.652073 0.586611 0.188859 0.132 Uiso 1 1 d R U . . .
H10B H 0.663863 0.535001 0.168239 0.132 Uiso 1 1 d R U . . .
H10C H 0.626953 0.545411 0.219359 0.132 Uiso 1 1 d R U . . .
O10 O 0.49671(14) 0.6091(2) 0.7258(5) 0.0589(15) Uani 1 1 d . U . . .
C11 C 0.6989(2) 0.5824(3) 0.3521(7) 0.0546(17) Uani 1 1 d . U . . .
C12 C 0.68487(18) 0.7266(2) 0.6251(6) 0.0371(14) Uani 1 1 d . U . . .
C13 C 0.5858(3) 0.7268(3) 0.1195(7) 0.063(2) Uani 1 1 d . U . . .
H13 H 0.575543 0.710598 0.061880 0.076 Uiso 1 1 d R U . . .
C14 C 0.3980(2) 0.5373(3) 1.2187(9) 0.0647(19) Uani 1 1 d . U . . .
C15 C 0.44749(17) 0.7265(3) 1.2358(6) 0.0391(15) Uani 1 1 d . U . . .
C16 C 0.63884(18) 0.7010(2) 0.3626(6) 0.0356(13) Uani 1 1 d . U . . .
C17 C 0.6268(4) 0.5042(4) 0.4288(15) 0.124(5) Uani 1 1 d . U . . .
H17A H 0.609062 0.514892 0.378810 0.186 Uiso 1 1 calc R U . . .
H17B H 0.617831 0.505081 0.502438 0.186 Uiso 1 1 calc R U . . .
H17C H 0.633271 0.472850 0.410452 0.186 Uiso 1 1 calc R U . . .
C18 C 0.7358(2) 0.5939(4) 0.5205(9) 0.064(2) Uani 1 1 d . U . . .
H18A H 0.729333 0.595064 0.596586 0.077 Uiso 1 1 d R U . . .
H18B H 0.756083 0.574394 0.511735 0.077 Uiso 1 1 d R U . . .
H18C H 0.741214 0.624874 0.495386 0.077 Uiso 1 1 d R U . . .
C19 C 0.47793(18) 0.7022(3) 1.2630(8) 0.0510(18) Uani 1 1 d . U . . .
H19 H 0.477946 0.669810 1.268830 0.061 Uiso 1 1 d R U . . .
C20 C 0.65251(18) 0.7247(2) 0.4521(6) 0.0349(14) Uani 1 1 d . U . . .
C21 C 0.3630(3) 0.5850(4) 1.3221(9) 0.072(2) Uani 1 1 d . U . . .
C22 C 0.3531(5) 0.6144(5) 1.4137(12) 0.123(5) Uani 1 1 d . U . . .
H22A H 0.373797 0.624601 1.451601 0.185 Uiso 1 1 calc R U . . .
H22B H 0.338473 0.597108 1.463145 0.185 Uiso 1 1 calc R U . . .
H22C H 0.340476 0.641041 1.386942 0.185 Uiso 1 1 calc R U . . .
C23 C 0.4631(2) 0.6090(3) 0.9246(7) 0.0540(18) Uani 1 1 d . U . . .
H23 H 0.487549 0.607562 0.924865 0.065 Uiso 1 1 d R U . . .
C24 C 0.3932(2) 0.6088(3) 0.9340(8) 0.062(2) Uani 1 1 d . U . . .
H24 H 0.368811 0.607207 0.937015 0.074 Uiso 1 1 d R U . . .
C26 C 0.4627(2) 0.6089(4) 0.7273(8) 0.068(2) Uani 1 1 d . U . . .
C27 C 0.5469(2) 0.6093(4) 0.4693(7) 0.062(2) Uani 1 1 d . U . . .
H27 H 0.529341 0.608489 0.416287 0.074 Uiso 1 1 calc R U . . .
C28 C 0.5034(2) 0.6115(4) 0.6151(8) 0.071(2) Uani 1 1 d . U . . .
C29 C 0.33011(18) 0.7264(3) 1.0790(7) 0.0435(16) Uani 1 1 d . U . . .
C30 C 0.7001(2) 0.7027(3) 0.7123(6) 0.0449(16) Uani 1 1 d . U . . .
H30 H 0.699723 0.670284 0.715096 0.054 Uiso 1 1 d R U . . .
C31 C 0.7191(3) 0.6115(4) 0.2771(9) 0.086(3) Uani 1 1 d . U . . .
H31A H 0.737415 0.627071 0.316938 0.130 Uiso 1 1 calc R U . . .
H31B H 0.703941 0.634286 0.244182 0.130 Uiso 1 1 calc R U . . .
H31C H 0.729262 0.592433 0.220744 0.130 Uiso 1 1 calc R U . . .
C32 C 0.5828(2) 0.6091(4) 0.4363(8) 0.061(2) Uani 1 1 d . U . . .
H32 H 0.588352 0.609742 0.361854 0.073 Uiso 1 1 d R U . . .
C33 C 0.5987(2) 0.6106(3) 0.6127(7) 0.0541(18) Uani 1 1 d . U . . .
H33 H 0.617351 0.611471 0.662004 0.065 Uiso 1 1 d R U . . .
C34 C 0.7064(2) 0.5740(3) 0.4614(7) 0.0491(16) Uani 1 1 d . U . . .
C35 C 0.7164(3) 0.7267(3) 0.7919(7) 0.061(2) Uani 1 1 d . U . . .
H35 H 0.727471 0.710743 0.848910 0.074 Uiso 1 1 d R U . . .
C36 C 0.6792(3) 0.5289(4) 0.6186(10) 0.096(4) Uani 1 1 d . U . . .
H36A H 0.667807 0.552525 0.661322 0.115 Uiso 1 1 d R U . . .
H36B H 0.702987 0.525424 0.643242 0.115 Uiso 1 1 d R U . . .
H36C H 0.666997 0.499875 0.627442 0.115 Uiso 1 1 d R U . . .
C37 C 0.4441(2) 0.6088(4) 0.8293(7) 0.0577(18) Uani 1 1 d . U . . .
C38 C 0.3079(3) 0.5769(5) 1.2112(13) 0.109(4) Uani 1 1 d . U . . .
H38A H 0.306638 0.604123 1.165576 0.164 Uiso 1 1 calc R U . . .
H38B H 0.295798 0.582670 1.278990 0.164 Uiso 1 1 calc R U . . .
H38C H 0.297134 0.551115 1.174005 0.164 Uiso 1 1 calc R U . . .
C39 C 0.5664(2) 0.6110(3) 0.6534(7) 0.0553(19) Uani 1 1 d . U . . .
H39 H 0.562891 0.611515 0.729012 0.066 Uiso 1 1 calc R U . . .
C40 C 0.3646(3) 0.5391(3) 1.1742(9) 0.0663(19) Uani 1 1 d . U . . .
C41 C 0.6801(2) 0.5463(3) 0.5051(8) 0.0554(17) Uani 1 1 d . U . . .
C42 C 0.38773(18) 0.7241(2) 1.1623(6) 0.0356(14) Uani 1 1 d . U . . .
C43 C 0.5378(2) 0.6107(4) 0.5816(7) 0.0594(19) Uani 1 1 d . U . . .
C44 C 0.3442(2) 0.5661(4) 1.2338(10) 0.071(2) Uani 1 1 d . U . . .
C45 C 0.4081(2) 0.6088(4) 0.8361(8) 0.063(2) Uani 1 1 d . U . . .
H45 H 0.394022 0.610268 0.773541 0.076 Uiso 1 1 d R U . . .
C46 C 0.6036(2) 0.7030(3) 0.1953(7) 0.0524(19) Uani 1 1 d . U . . .
H46 H 0.602959 0.670596 0.195050 0.063 Uiso 1 1 d R U . . .
C47 C 0.3971(2) 0.5637(3) 1.3105(9) 0.0646(19) Uani 1 1 d . U . . .
C48 C 0.62123(18) 0.7261(2) 0.2773(6) 0.0370(14) Uani 1 1 d . U . . .
C50 C 0.3018(2) 0.7021(4) 1.0345(9) 0.070(2) Uani 1 1 d . U . . .
H50 H 0.302386 0.669725 1.029778 0.083 Uiso 1 1 d R U . . .
C51 C 0.4453(2) 0.6082(3) 1.0202(7) 0.0509(17) Uani 1 1 d . U . . .
H51 H 0.458043 0.607635 1.085404 0.061 Uiso 1 1 calc R U . . .
F1 F 0.5670(2) 0.5024(3) 1.1111(9) 0.146(3) Uani 1 1 d . U . . .
S1 S 0.53827(7) 0.58057(10) 1.1491(3) 0.0788(8) Uani 1 1 d . U . . .
O3 O 0.5713(2) 0.5954(3) 1.1816(7) 0.096(3) Uani 1 1 d . U . . .
F4 F 0.5124(2) 0.4994(3) 1.1280(10) 0.158(4) Uani 1 1 d . U . . .
F6 F 0.5447(3) 0.5104(3) 1.2655(10) 0.153(3) Uani 1 1 d . U . . .
O7 O 0.5082(2) 0.5915(4) 1.2095(9) 0.122(3) Uani 1 1 d . U . . .
O11 O 0.5357(3) 0.5845(4) 1.0315(8) 0.122(3) Uani 1 1 d . U . . .
C49 C 0.5410(3) 0.5193(5) 1.1585(14) 0.100(3) Uani 1 1 d . U . . .
F2 F 0.7327(3) 0.6064(4) 0.8343(8) 0.160(4) Uani 1 1 d . U . . .
O2 O 0.7412(3) 0.5113(3) 0.8895(9) 0.133(4) Uani 1 1 d . U . . .
S2 S 0.75506(10) 0.54352(11) 0.9608(3) 0.0903(9) Uani 1 1 d . U . . .
F3 F 0.6989(3) 0.5894(4) 0.9591(11) 0.180(4) Uani 1 1 d . U . . .
F5 F 0.7415(3) 0.6282(3) 0.9897(11) 0.179(4) Uani 1 1 d . U . . .
O5 O 0.7900(3) 0.5558(4) 0.9311(11) 0.145(4) Uani 1 1 d . U . . .
O9 O 0.7495(4) 0.5343(4) 1.0739(8) 0.149(4) Uani 1 1 d . U . . .
C25 C 0.7315(4) 0.5925(5) 0.9316(14) 0.108(3) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O6 1.276(9) . ?
C1 C29 1.455(10) . ?
C1 C42 1.402(10) . ?
N1 Rh2 2.113(7) . ?
N1 C24 1.338(11) . ?
N1 C51 1.337(10) . ?
O1 C2 1.262(9) . ?
O1 Rh2 2.054(5) . ?
Rh1 N3 2.118(7) . ?
Rh1 O4 2.056(5) . ?
Rh1 C5 2.130(9) . ?
Rh1 O8 2.064(5) . ?
Rh1 C9 2.118(9) . ?
Rh1 C11 2.129(9) . ?
Rh1 C34 2.161(8) . ?
Rh1 C41 2.112(8) . ?
C52 H52A 0.9804 . ?
C52 H52B 0.9805 . ?
C52 H52C 0.9822 . ?
C52 C14 1.530(14) . ?
C2 C15 1.478(10) . ?
C2 C42 1.423(9) . ?
Rh2 O6 2.050(5) . ?
Rh2 C14 2.143(9) . ?
Rh2 C21 2.111(9) . ?
Rh2 C40 2.141(9) . ?
Rh2 C44 2.133(9) . ?
Rh2 C47 2.125(10) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C40 1.565(16) . ?
N3 C32 1.258(11) . ?
N3 C33 1.350(11) . ?
C4 C4 1.322(18) 8_575 ?
C4 H4 0.9515 . ?
C4 C19 1.404(11) . ?
N4 N5 1.386(12) . ?
N4 C28 1.270(12) . ?
O4 C8 1.273(9) . ?
C5 C9 1.397(16) . ?
C5 C17 1.494(15) . ?
C5 C41 1.410(14) . ?
N5 C26 1.336(12) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 C47 1.511(15) . ?
C7 C7 1.41(2) 8_575 ?
C7 H7 0.9499 . ?
C7 C50 1.361(13) . ?
C8 C12 1.465(10) . ?
C8 C20 1.426(10) . ?
O8 C16 1.285(9) . ?
C9 C10 1.523(14) . ?
C9 C11 1.459(14) . ?
C10 H10A 0.9810 . ?
C10 H10B 0.9788 . ?
C10 H10C 0.9804 . ?
O10 C26 1.324(10) . ?
O10 C28 1.401(11) . ?
C11 C31 1.488(14) . ?
C11 C34 1.412(12) . ?
C12 C12 1.369(15) 8_575 ?
C12 C30 1.420(10) . ?
C13 C13 1.358(18) 8_575 ?
C13 H13 0.9488 . ?
C13 C46 1.362(12) . ?
C14 C40 1.413(14) . ?
C14 C47 1.380(15) . ?
C15 C15 1.377(15) 8_575 ?
C15 C19 1.424(10) . ?
C16 C20 1.416(10) . ?
C16 C48 1.462(10) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9794 . ?
C18 H18B 0.9802 . ?
C18 H18C 0.9816 . ?
C18 C34 1.481(12) . ?
C19 H19 0.9514 . ?
C20 C20 1.485(14) 8_575 ?
C21 C22 1.479(17) . ?
C21 C44 1.432(16) . ?
C21 C47 1.473(15) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23 0.9517 . ?
C23 C37 1.397(12) . ?
C23 C51 1.376(12) . ?
C24 H24 0.9499 . ?
C24 C45 1.349(14) . ?
C26 C37 1.461(13) . ?
C27 H27 0.9500 . ?
C27 C32 1.457(12) . ?
C27 C43 1.441(12) . ?
C28 C43 1.403(12) . ?
C29 C29 1.383(15) 8_575 ?
C29 C50 1.424(11) . ?
C30 H30 0.9502 . ?
C30 C35 1.371(12) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32 0.9501 . ?
C33 H33 0.9502 . ?
C33 C39 1.355(12) . ?
C34 C41 1.417(12) . ?
C35 C35 1.366(19) 8_575 ?
C35 H35 0.9523 . ?
C36 H36A 0.9790 . ?
C36 H36B 0.9804 . ?
C36 H36C 0.9805 . ?
C36 C41 1.501(14) . ?
C37 C45 1.406(11) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C38 C44 1.474(14) . ?
C39 H39 0.9500 . ?
C39 C43 1.430(12) . ?
C40 C44 1.345(15) . ?
C42 C42 1.520(14) 8_575 ?
C45 H45 0.9511 . ?
C46 H46 0.9505 . ?
C46 C48 1.403(10) . ?
C48 C48 1.399(14) 8_575 ?
C50 H50 0.9496 . ?
C51 H51 0.9500 . ?
F1 C49 1.273(14) . ?
S1 O3 1.416(8) . ?
S1 O7 1.428(10) . ?
S1 O11 1.470(10) . ?
S1 C49 1.803(14) . ?
F4 C49 1.311(14) . ?
F6 C49 1.363(18) . ?
F2 C25 1.278(17) . ?
O2 S2 1.403(10) . ?
S2 O5 1.455(11) . ?
S2 O9 1.448(11) . ?
S2 C25 1.742(15) . ?
F3 C25 1.317(18) . ?
F5 C25 1.328(18) . ?

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
O6 C1 C29 114.7(6) . . ?
O6 C1 C42 125.4(6) . . ?
C42 C1 C29 119.8(7) . . ?
C24 N1 Rh2 121.2(6) . . ?
C51 N1 Rh2 120.6(6) . . ?
C51 N1 C24 118.3(8) . . ?
C2 O1 Rh2 129.6(5) . . ?
N3 Rh1 C5 96.3(4) . . ?
N3 Rh1 C11 158.3(3) . . ?
N3 Rh1 C34 145.2(3) . . ?
O4 Rh1 N3 85.6(3) . . ?
O4 Rh1 C5 144.6(4) . . ?
O4 Rh1 O8 85.6(2) . . ?
O4 Rh1 C9 156.3(3) . . ?
O4 Rh1 C11 116.1(3) . . ?
O4 Rh1 C34 94.6(3) . . ?
O4 Rh1 C41 107.1(3) . . ?
C5 Rh1 C34 64.3(4) . . ?
O8 Rh1 N3 82.8(2) . . ?
O8 Rh1 C5 129.7(4) . . ?
O8 Rh1 C9 98.6(3) . . ?
O8 Rh1 C11 99.6(3) . . ?
O8 Rh1 C34 132.0(3) . . ?
O8 Rh1 C41 163.5(3) . . ?
C9 Rh1 N3 118.1(4) . . ?
C9 Rh1 C5 38.4(4) . . ?
C9 Rh1 C11 40.2(4) . . ?
C9 Rh1 C34 65.2(3) . . ?
C11 Rh1 C5 65.4(4) . . ?
C11 Rh1 C34 38.4(3) . . ?
C41 Rh1 N3 108.2(3) . . ?
C41 Rh1 C5 38.8(4) . . ?
C41 Rh1 C9 65.5(4) . . ?
C41 Rh1 C11 65.6(4) . . ?
C41 Rh1 C34 38.7(3) . . ?
H52A C52 H52B 109.4 . . ?
H52A C52 H52C 109.3 . . ?
H52B C52 H52C 109.4 . . ?
C14 C52 H52A 110.8 . . ?
C14 C52 H52B 110.9 . . ?
C14 C52 H52C 106.9 . . ?
O1 C2 C15 114.0(6) . . ?
O1 C2 C42 126.9(7) . . ?
C42 C2 C15 119.0(6) . . ?
N1 Rh2 C14 97.9(3) . . ?
N1 Rh2 C40 100.9(4) . . ?
N1 Rh2 C44 131.3(4) . . ?
N1 Rh2 C47 127.9(4) . . ?
O1 Rh2 N1 83.5(2) . . ?
O1 Rh2 C14 119.7(3) . . ?
O1 Rh2 C21 107.2(4) . . ?
O1 Rh2 C40 158.0(3) . . ?
O1 Rh2 C44 145.1(4) . . ?
O1 Rh2 C47 97.0(3) . . ?
O6 Rh2 N1 84.5(2) . . ?
O6 Rh2 O1 85.05(19) . . ?
O6 Rh2 C14 155.2(3) . . ?
O6 Rh2 C21 107.7(4) . . ?
O6 Rh2 C40 116.7(3) . . ?
O6 Rh2 C44 95.9(3) . . ?
O6 Rh2 C47 147.6(3) . . ?
C21 Rh2 N1 164.1(4) . . ?
C21 Rh2 C14 66.7(4) . . ?
C21 Rh2 C40 64.8(4) . . ?
C21 Rh2 C44 39.4(4) . . ?
C21 Rh2 C47 40.7(4) . . ?
C40 Rh2 C14 38.5(4) . . ?
C44 Rh2 C14 64.0(4) . . ?
C44 Rh2 C40 36.7(4) . . ?
C47 Rh2 C14 37.7(4) . . ?
C47 Rh2 C40 63.1(4) . . ?
C47 Rh2 C44 64.5(4) . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C40 C3 H3A 109.5 . . ?
C40 C3 H3B 109.5 . . ?
C40 C3 H3C 109.5 . . ?
C32 N3 Rh1 114.9(6) . . ?
C32 N3 C33 121.8(8) . . ?
C33 N3 Rh1 123.3(6) . . ?
C4 C4 H4 117.9 8_575 . ?
C4 C4 C19 121.8(5) 8_575 . ?
C19 C4 H4 120.2 . . ?
C28 N4 N5 108.8(9) . . ?
C8 O4 Rh1 129.9(5) . . ?
C9 C5 Rh1 70.3(5) . . ?
C9 C5 C17 124.3(12) . . ?
C9 C5 C41 109.2(9) . . ?
C17 C5 Rh1 124.4(8) . . ?
C41 C5 Rh1 69.9(5) . . ?
C41 C5 C17 126.5(12) . . ?
C26 N5 N4 103.5(8) . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C47 C6 H6A 109.5 . . ?
C47 C6 H6B 109.5 . . ?
C47 C6 H6C 109.5 . . ?
C1 O6 Rh2 130.4(5) . . ?
C7 C7 H7 119.6 8_575 . ?
C50 C7 C7 120.9(6) . 8_575 ?
C50 C7 H7 119.5 . . ?
O4 C8 C12 115.1(6) . . ?
O4 C8 C20 125.8(7) . . ?
C20 C8 C12 119.1(6) . . ?
C16 O8 Rh1 129.0(5) . . ?
C5 C9 Rh1 71.3(6) . . ?
C5 C9 C10 128.1(11) . . ?
C5 C9 C11 107.3(9) . . ?
C10 C9 Rh1 124.1(7) . . ?
C11 C9 Rh1 70.3(5) . . ?
C11 C9 C10 124.5(11) . . ?
C9 C10 H10A 105.5 . . ?
C9 C10 H10B 110.2 . . ?
C9 C10 H10C 112.6 . . ?
H10A C10 H10B 109.6 . . ?
H10A C10 H10C 109.3 . . ?
H10B C10 H10C 109.6 . . ?
C26 O10 C28 101.5(7) . . ?
C9 C11 Rh1 69.5(5) . . ?
C9 C11 C31 126.7(10) . . ?
C31 C11 Rh1 124.1(7) . . ?
C34 C11 Rh1 72.1(5) . . ?
C34 C11 C9 106.8(9) . . ?
C34 C11 C31 126.5(9) . . ?
C12 C12 C8 121.3(4) 8_575 . ?
C12 C12 C30 119.6(5) 8_575 . ?
C30 C12 C8 119.0(7) . . ?
C13 C13 H13 120.1 8_575 . ?
C13 C13 C46 120.8(5) 8_575 . ?
C46 C13 H13 118.7 . . ?
C52 C14 Rh2 126.4(7) . . ?
C40 C14 C52 128.1(11) . . ?
C40 C14 Rh2 70.7(5) . . ?
C47 C14 C52 125.7(11) . . ?
C47 C14 Rh2 70.4(6) . . ?
C47 C14 C40 106.2(9) . . ?
C15 C15 C2 121.4(4) 8_575 . ?
C15 C15 C19 120.0(5) 8_575 . ?
C19 C15 C2 118.4(7) . . ?
O8 C16 C20 127.1(7) . . ?
O8 C16 C48 112.9(6) . . ?
C20 C16 C48 119.9(6) . . ?
C5 C17 H17A 109.5 . . ?
C5 C17 H17B 109.5 . . ?
C5 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
H18A C18 H18B 109.6 . . ?
H18A C18 H18C 109.3 . . ?
H18B C18 H18C 109.4 . . ?
C34 C18 H18A 107.0 . . ?
C34 C18 H18B 109.6 . . ?
C34 C18 H18C 111.8 . . ?
C4 C19 C15 118.1(8) . . ?
C4 C19 H19 120.3 . . ?
C15 C19 H19 121.2 . . ?
C8 C20 C20 119.5(4) . 8_575 ?
C16 C20 C8 121.1(6) . . ?
C16 C20 C20 119.4(4) . 8_575 ?
C22 C21 Rh2 126.7(8) . . ?
C44 C21 Rh2 71.1(6) . . ?
C44 C21 C22 133.0(12) . . ?
C44 C21 C47 102.8(9) . . ?
C47 C21 Rh2 70.2(5) . . ?
C47 C21 C22 123.8(13) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C37 C23 H23 122.2 . . ?
C51 C23 H23 119.9 . . ?
C51 C23 C37 117.7(8) . . ?
N1 C24 H24 119.0 . . ?
N1 C24 C45 123.2(8) . . ?
C45 C24 H24 117.7 . . ?
N5 C26 C37 124.9(8) . . ?
O10 C26 N5 114.4(8) . . ?
O10 C26 C37 120.5(8) . . ?
C32 C27 H27 119.7 . . ?
C43 C27 H27 119.7 . . ?
C43 C27 C32 120.7(8) . . ?
N4 C28 O10 111.7(8) . . ?
N4 C28 C43 130.3(9) . . ?
O10 C28 C43 117.9(8) . . ?
C29 C29 C1 121.0(4) 8_575 . ?
C29 C29 C50 120.1(5) 8_575 . ?
C50 C29 C1 118.9(7) . . ?
C12 C30 H30 121.1 . . ?
C35 C30 C12 119.3(8) . . ?
C35 C30 H30 119.5 . . ?
C11 C31 H31A 109.5 . . ?
C11 C31 H31B 109.5 . . ?
C11 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N3 C32 C27 119.6(9) . . ?
N3 C32 H32 120.9 . . ?
C27 C32 H32 119.5 . . ?
N3 C33 H33 118.0 . . ?
N3 C33 C39 124.2(8) . . ?
C39 C33 H33 117.9 . . ?
C11 C34 Rh1 69.5(5) . . ?
C11 C34 C18 124.6(9) . . ?
C11 C34 C41 108.6(8) . . ?
C18 C34 Rh1 124.3(6) . . ?
C41 C34 Rh1 68.8(5) . . ?
C41 C34 C18 126.6(9) . . ?
C30 C35 H35 119.7 . . ?
C35 C35 C30 120.9(5) 8_575 . ?
C35 C35 H35 119.4 8_575 . ?
H36A C36 H36B 109.4 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.4 . . ?
C41 C36 H36A 106.2 . . ?
C41 C36 H36B 107.9 . . ?
C41 C36 H36C 114.3 . . ?
C23 C37 C26 118.2(7) . . ?
C23 C37 C45 118.6(9) . . ?
C45 C37 C26 123.1(8) . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C44 C38 H38A 109.5 . . ?
C44 C38 H38B 109.5 . . ?
C44 C38 H38C 109.5 . . ?
C33 C39 H39 120.3 . . ?
C33 C39 C43 119.4(8) . . ?
C43 C39 H39 120.3 . . ?
C3 C40 Rh2 124.4(7) . . ?
C14 C40 Rh2 70.8(5) . . ?
C14 C40 C3 123.9(11) . . ?
C44 C40 Rh2 71.3(6) . . ?
C44 C40 C3 125.6(11) . . ?
C44 C40 C14 110.5(10) . . ?
C5 C41 Rh1 71.3(5) . . ?
C5 C41 C34 107.8(9) . . ?
C5 C41 C36 127.0(10) . . ?
C34 C41 Rh1 72.5(5) . . ?
C34 C41 C36 124.8(10) . . ?
C36 C41 Rh1 127.1(7) . . ?
C1 C42 C2 121.4(6) . . ?
C1 C42 C42 119.1(4) . 8_575 ?
C2 C42 C42 119.4(4) . 8_575 ?
C28 C43 C27 121.6(8) . . ?
C28 C43 C39 124.0(8) . . ?
C39 C43 C27 114.3(8) . . ?
C21 C44 Rh2 69.5(5) . . ?
C21 C44 C38 123.6(12) . . ?
C38 C44 Rh2 123.2(7) . . ?
C40 C44 Rh2 72.0(5) . . ?
C40 C44 C21 110.3(9) . . ?
C40 C44 C38 126.1(13) . . ?
C24 C45 C37 118.9(9) . . ?
C24 C45 H45 119.4 . . ?
C37 C45 H45 121.6 . . ?
C13 C46 H46 119.7 . . ?
C13 C46 C48 120.3(8) . . ?
C48 C46 H46 119.9 . . ?
C6 C47 Rh2 120.8(7) . . ?
C14 C47 Rh2 71.8(6) . . ?
C14 C47 C6 120.0(11) . . ?
C14 C47 C21 110.0(9) . . ?
C21 C47 Rh2 69.1(5) . . ?
C21 C47 C6 129.7(12) . . ?
C46 C48 C16 120.8(7) . . ?
C48 C48 C16 120.3(4) 8_575 . ?
C48 C48 C46 118.9(5) 8_575 . ?
C7 C50 C29 119.1(9) . . ?
C7 C50 H50 120.4 . . ?
C29 C50 H50 120.4 . . ?
N1 C51 C23 123.3(8) . . ?
N1 C51 H51 118.3 . . ?
C23 C51 H51 118.3 . . ?
O3 S1 O7 121.7(6) . . ?
O3 S1 O11 108.8(6) . . ?
O3 S1 C49 103.6(6) . . ?
O7 S1 O11 116.7(6) . . ?
O7 S1 C49 103.7(7) . . ?
O11 S1 C49 98.4(7) . . ?
F1 C49 S1 113.7(12) . . ?
F1 C49 F4 111.7(12) . . ?
F1 C49 F6 107.1(14) . . ?
F4 C49 S1 111.9(11) . . ?
F4 C49 F6 106.7(14) . . ?
F6 C49 S1 105.1(9) . . ?
O2 S2 O5 111.5(8) . . ?
O2 S2 O9 115.5(8) . . ?
O2 S2 C25 102.7(8) . . ?
O5 S2 C25 103.6(8) . . ?
O9 S2 O5 115.6(8) . . ?
O9 S2 C25 106.1(8) . . ?
F2 C25 S2 116.2(13) . . ?
F2 C25 F3 107.6(15) . . ?
F2 C25 F5 104.7(14) . . ?
F3 C25 S2 113.3(12) . . ?
F3 C25 F5 101.2(15) . . ?
F5 C25 S2 112.4(12) . . ?

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
C1 C29 C50 C7 -179.4(10) . . . . ?
N1 C24 C45 C37 -1.4(16) . . . . ?
O1 C2 C15 C15 -174.5(4) . . . 8_575 ?
O1 C2 C15 C19 9.3(11) . . . . ?
O1 C2 C42 C1 -6.4(13) . . . . ?
O1 C2 C42 C42 174.3(6) . . . 8_575 ?
Rh1 N3 C32 C27 177.5(7) . . . . ?
Rh1 N3 C33 C39 -177.5(7) . . . . ?
Rh1 O4 C8 C12 -165.0(5) . . . . ?
Rh1 O4 C8 C20 16.6(11) . . . . ?
Rh1 C5 C9 C10 -119.1(10) . . . . ?
Rh1 C5 C9 C11 61.4(6) . . . . ?
Rh1 C5 C41 C34 -63.8(6) . . . . ?
Rh1 C5 C41 C36 122.8(10) . . . . ?
Rh1 O8 C16 C20 4.5(11) . . . . ?
Rh1 O8 C16 C48 -174.2(5) . . . . ?
Rh1 C9 C11 C31 -117.9(10) . . . . ?
Rh1 C9 C11 C34 62.8(6) . . . . ?
Rh1 C11 C34 C18 -118.2(9) . . . . ?
Rh1 C11 C34 C41 57.7(6) . . . . ?
Rh1 C34 C41 C5 63.0(6) . . . . ?
Rh1 C34 C41 C36 -123.4(10) . . . . ?
C52 C14 C40 Rh2 -121.6(11) . . . . ?
C52 C14 C40 C3 -2.4(16) . . . . ?
C52 C14 C40 C44 177.9(10) . . . . ?
C52 C14 C47 Rh2 121.3(10) . . . . ?
C52 C14 C47 C6 5.6(15) . . . . ?
C52 C14 C47 C21 -179.9(9) . . . . ?
C2 C15 C19 C4 178.6(8) . . . . ?
Rh2 N1 C24 C45 -178.3(8) . . . . ?
Rh2 N1 C51 C23 179.7(7) . . . . ?
Rh2 O1 C2 C15 -178.4(5) . . . . ?
Rh2 O1 C2 C42 3.9(12) . . . . ?
Rh2 C14 C40 C3 119.2(10) . . . . ?
Rh2 C14 C40 C44 -60.5(7) . . . . ?
Rh2 C14 C47 C6 -115.7(9) . . . . ?
Rh2 C14 C47 C21 58.8(7) . . . . ?
Rh2 C21 C44 C38 -117.0(10) . . . . ?
Rh2 C21 C44 C40 60.6(7) . . . . ?
Rh2 C21 C47 C6 113.4(11) . . . . ?
Rh2 C21 C47 C14 -60.4(7) . . . . ?
Rh2 C40 C44 C21 -59.1(7) . . . . ?
Rh2 C40 C44 C38 118.4(10) . . . . ?
C3 C40 C44 Rh2 -119.5(10) . . . . ?
C3 C40 C44 C21 -178.5(9) . . . . ?
C3 C40 C44 C38 -1.0(17) . . . . ?
N3 C33 C39 C43 -0.4(15) . . . . ?
C4 C4 C19 C15 -2.4(11) 8_575 . . . ?
N4 N5 C26 O10 3.1(15) . . . . ?
N4 N5 C26 C37 178.7(12) . . . . ?
N4 C28 C43 C27 -1(2) . . . . ?
N4 C28 C43 C39 179.4(13) . . . . ?
O4 C8 C12 C12 -175.1(4) . . . 8_575 ?
O4 C8 C12 C30 1.5(10) . . . . ?
O4 C8 C20 C16 -8.2(12) . . . . ?
O4 C8 C20 C20 174.9(6) . . . 8_575 ?
C5 C9 C11 Rh1 -62.0(7) . . . . ?
C5 C9 C11 C31 -179.9(9) . . . . ?
C5 C9 C11 C34 0.8(10) . . . . ?
N5 N4 C28 O10 3.1(16) . . . . ?
N5 N4 C28 C43 179.2(13) . . . . ?
N5 C26 C37 C23 -175.3(12) . . . . ?
N5 C26 C37 C45 4.5(19) . . . . ?
O6 C1 C29 C29 -177.4(4) . . . 8_575 ?
O6 C1 C29 C50 1.6(12) . . . . ?
O6 C1 C42 C2 -2.3(12) . . . . ?
O6 C1 C42 C42 176.9(6) . . . 8_575 ?
C7 C7 C50 C29 0.3(14) 8_575 . . . ?
C8 C12 C30 C35 179.4(8) . . . . ?
O8 C16 C20 C8 -2.7(12) . . . . ?
O8 C16 C20 C20 174.1(6) . . . 8_575 ?
O8 C16 C48 C46 7.1(11) . . . . ?
O8 C16 C48 C48 -173.9(4) . . . 8_575 ?
C9 C5 C41 Rh1 59.5(7) . . . . ?
C9 C5 C41 C34 -4.3(10) . . . . ?
C9 C5 C41 C36 -177.7(9) . . . . ?
C9 C11 C34 Rh1 -61.2(6) . . . . ?
C9 C11 C34 C18 -179.4(8) . . . . ?
C9 C11 C34 C41 -3.4(10) . . . . ?
C10 C9 C11 Rh1 118.5(9) . . . . ?
C10 C9 C11 C31 0.6(15) . . . . ?
C10 C9 C11 C34 -178.7(9) . . . . ?
O10 C26 C37 C23 0.1(16) . . . . ?
O10 C26 C37 C45 179.8(10) . . . . ?
O10 C28 C43 C27 175.0(10) . . . . ?
O10 C28 C43 C39 -4.8(17) . . . . ?
C11 C34 C41 Rh1 -58.2(6) . . . . ?
C11 C34 C41 C5 4.8(10) . . . . ?
C11 C34 C41 C36 178.4(9) . . . . ?
C12 C8 C20 C16 173.5(6) . . . . ?
C12 C8 C20 C20 -3.4(8) . . . 8_575 ?
C12 C12 C30 C35 -4.0(10) 8_575 . . . ?
C12 C30 C35 C35 4.1(10) . . . 8_575 ?
C13 C13 C46 C48 2.5(11) 8_575 . . . ?
C13 C46 C48 C16 176.6(8) . . . . ?
C13 C46 C48 C48 -2.4(11) . . . 8_575 ?
C14 C40 C44 Rh2 60.2(7) . . . . ?
C14 C40 C44 C21 1.1(12) . . . . ?
C14 C40 C44 C38 178.6(9) . . . . ?
C15 C2 C42 C1 176.0(7) . . . . ?
C15 C2 C42 C42 -3.3(8) . . . 8_575 ?
C15 C15 C19 C4 2.3(11) 8_575 . . . ?
C17 C5 C9 Rh1 118.8(10) . . . . ?
C17 C5 C9 C10 -0.3(17) . . . . ?
C17 C5 C9 C11 -179.8(10) . . . . ?
C17 C5 C41 Rh1 -118.5(11) . . . . ?
C17 C5 C41 C34 177.7(10) . . . . ?
C17 C5 C41 C36 4.3(17) . . . . ?
C18 C34 C41 Rh1 117.7(9) . . . . ?
C18 C34 C41 C5 -179.4(8) . . . . ?
C18 C34 C41 C36 -5.8(15) . . . . ?
C20 C8 C12 C12 3.4(8) . . . 8_575 ?
C20 C8 C12 C30 -180.0(7) . . . . ?
C20 C16 C48 C46 -171.6(7) . . . . ?
C20 C16 C48 C48 7.4(8) . . . 8_575 ?
C22 C21 C44 Rh2 123.0(13) . . . . ?
C22 C21 C44 C38 6.0(18) . . . . ?
C22 C21 C44 C40 -176.4(12) . . . . ?
C22 C21 C47 Rh2 -121.5(11) . . . . ?
C22 C21 C47 C6 -8.2(17) . . . . ?
C22 C21 C47 C14 178.1(10) . . . . ?
C23 C37 C45 C24 -0.1(16) . . . . ?
C24 N1 C51 C23 0.0(13) . . . . ?
C26 O10 C28 N4 -1.2(14) . . . . ?
C26 O10 C28 C43 -177.8(11) . . . . ?
C26 C37 C45 C24 -179.8(11) . . . . ?
C28 N4 N5 C26 -3.7(16) . . . . ?
C28 O10 C26 N5 -1.3(14) . . . . ?
C28 O10 C26 C37 -177.2(11) . . . . ?
C29 C1 O6 Rh2 -171.5(5) . . . . ?
C29 C1 C42 C2 -177.5(7) . . . . ?
C29 C1 C42 C42 1.7(9) . . . 8_575 ?
C29 C29 C50 C7 -0.3(14) 8_575 . . . ?
C31 C11 C34 Rh1 119.6(10) . . . . ?
C31 C11 C34 C18 1.3(15) . . . . ?
C31 C11 C34 C41 177.3(9) . . . . ?
C32 N3 C33 C39 0.3(16) . . . . ?
C32 C27 C43 C28 179.2(11) . . . . ?
C32 C27 C43 C39 -1.0(15) . . . . ?
C33 N3 C32 C27 -0.5(15) . . . . ?
C33 C39 C43 C27 0.7(14) . . . . ?
C33 C39 C43 C28 -179.4(11) . . . . ?
C37 C23 C51 N1 -1.3(14) . . . . ?
C40 C14 C47 Rh2 -62.0(6) . . . . ?
C40 C14 C47 C6 -177.7(9) . . . . ?
C40 C14 C47 C21 -3.3(11) . . . . ?
C41 C5 C9 Rh1 -59.3(7) . . . . ?
C41 C5 C9 C10 -178.4(9) . . . . ?
C41 C5 C9 C11 2.1(11) . . . . ?
C42 C1 O6 Rh2 13.1(12) . . . . ?
C42 C1 C29 C29 -1.8(9) . . . 8_575 ?
C42 C1 C29 C50 177.3(8) . . . . ?
C42 C2 C15 C15 3.4(9) . . . 8_575 ?
C42 C2 C15 C19 -172.8(7) . . . . ?
C43 C27 C32 N3 0.9(16) . . . . ?
C44 C21 C47 Rh2 64.2(6) . . . . ?
C44 C21 C47 C6 177.6(10) . . . . ?
C44 C21 C47 C14 3.8(10) . . . . ?
C47 C14 C40 Rh2 61.9(6) . . . . ?
C47 C14 C40 C3 -179.0(9) . . . . ?
C47 C14 C40 C44 1.4(11) . . . . ?
C47 C21 C44 Rh2 -63.5(6) . . . . ?
C47 C21 C44 C38 179.5(9) . . . . ?
C47 C21 C44 C40 -2.9(11) . . . . ?
C48 C16 C20 C8 175.8(7) . . . . ?
C48 C16 C20 C20 -7.3(8) . . . 8_575 ?
C51 N1 C24 C45 1.4(14) . . . . ?
C51 C23 C37 C26 -179.0(10) . . . . ?
C51 C23 C37 C45 1.3(14) . . . . ?
O3 S1 C49 F1 -50.5(14) . . . . ?
O3 S1 C49 F4 -178.2(12) . . . . ?
O3 S1 C49 F6 66.3(11) . . . . ?
O7 S1 C49 F1 -178.5(12) . . . . ?
O7 S1 C49 F4 53.8(14) . . . . ?
O7 S1 C49 F6 -61.7(11) . . . . ?
O11 S1 C49 F1 61.3(13) . . . . ?
O11 S1 C49 F4 -66.5(13) . . . . ?
O11 S1 C49 F6 178.1(10) . . . . ?
O2 S2 C25 F2 -57.8(16) . . . . ?
O2 S2 C25 F3 67.6(15) . . . . ?
O2 S2 C25 F5 -178.4(13) . . . . ?
O5 S2 C25 F2 58.4(16) . . . . ?
O5 S2 C25 F3 -176.2(14) . . . . ?
O5 S2 C25 F5 -62.2(15) . . . . ?
O9 S2 C25 F2 -179.4(14) . . . . ?
O9 S2 C25 F3 -54.0(16) . . . . ?
O9 S2 C25 F5 60.0(15) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 772 electrons were 
found in a volume of 4744Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
0.3[CH3OH], 3.4[C6H14O] per Asymmetric Unit 
which account for 810 electrons 
per unit cell.
;
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 0.000 0.000 0.000 52.3 5.0 '0.3 CH3OH'
2 0.201 0.250 0.250 2268.5 375.6 '6.8 C6H14O'
3 0.000 0.500 0.000 52.3 5.0 '0.3 CH3OH'
4 -0.024 0.750 0.750 2268.5 389.4 '6.8 C6H14O'
5 0.500 0.000 0.500 52.3 5.0 '0.3 CH3OH'
6 0.500 0.500 0.500 52.3 5.0 '0.3 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p42n
_database_code_depnum_ccdc_archive 'CCDC 2184766'
loop_
_audit_author_name
_audit_author_address
'lilong Dang'
;luoyang normal university
China
;
_audit_update_record             
;
2022-07-08 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_audit_creation_date             2022-06-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 Cl4 N8 Rh4, 4(C F3 O3 S), 2[C6H14O]'
_chemical_formula_sum            'C80 H28 Cl4 F12 N8 O14 Rh4 S4'
_chemical_formula_weight         2234.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -z-1/2'

_cell_length_a                   28.6327(10)
_cell_length_b                   28.6327(10)
_cell_length_c                   12.2481(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10041.4(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9774
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      53.92
_cell_measurement_theta_min      2.68
_shelx_estimated_absorpt_T_max   0.425
_shelx_estimated_absorpt_T_min   0.370
_exptl_absorpt_coefficient_mu    5.163
_exptl_absorpt_correction_T_max  0.3667
_exptl_absorpt_correction_T_min  0.1786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0988 before and 0.0453 after correction.
The Ratio of minimum to maximum transmission is 0.4870.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4384
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            74353
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.914
_diffrn_reflns_theta_min         2.685
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19931339999999997
_diffrn_source_voltage           69.69
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7558
_reflns_number_total             9152
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.568
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         9152
_refine_ls_number_restraints     487
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0428
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0907P)²+7.4385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1377
_refine_special_details          ?
_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. 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
3. 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
4.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C14(H14), C18(H18), C21(H21), C22(H22), C25(H25), C26(H26), C28(H28),
 C30(H30), C34(H34)
4.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C7(H7A,H7B,H7C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C),
 C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C23(H23A,H23B,H23C), C29(H29A,H29B,
 H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.58353(2) 0.25933(2) 0.79271(2) 0.03051(11) Uani 1 1 d . U . . .
Rh2 Rh 0.53850(2) 0.72159(2) 0.13507(3) 0.03534(11) Uani 1 1 d . U . . .
Cl1 Cl 0.53865(3) 0.29195(3) 0.94525(8) 0.0382(2) Uani 1 1 d . U . . .
Cl2 Cl 0.49420(3) 0.75255(3) 0.28959(8) 0.0398(2) Uani 1 1 d . U . . .
N1 N 0.53548(12) 0.65453(11) 0.2095(3) 0.0381(7) Uani 1 1 d . U . . .
N2 N 0.56076(13) 0.51339(12) 0.4456(3) 0.0501(9) Uani 1 1 d . U . . .
N3 N 0.56203(13) 0.46659(12) 0.4773(3) 0.0494(9) Uani 1 1 d . U . . .
N4 N 0.58419(12) 0.32681(11) 0.7199(3) 0.0361(7) Uani 1 1 d . U . . .
C1 C 0.61898(14) 0.20866(13) 0.8940(3) 0.0363(8) Uani 1 1 d . U . . .
C2 C 0.63473(19) 0.6660(2) 0.0759(6) 0.0800(18) Uani 1 1 d . U . . .
H2A H 0.639722 0.655737 0.151334 0.120 Uiso 1 1 calc R U . . .
H2B H 0.664996 0.670645 0.040130 0.120 Uiso 1 1 calc R U . . .
H2C H 0.616943 0.642146 0.036325 0.120 Uiso 1 1 calc R U . . .
C3 C 0.60773(16) 0.74617(16) 0.1575(4) 0.0497(10) Uani 1 1 d . U . . .
C4 C 0.65105(14) 0.24392(14) 0.8571(3) 0.0370(8) Uani 1 1 d . U . . .
C5 C 0.58054(16) 0.78387(16) 0.1193(4) 0.0540(11) Uani 1 1 d . U . . .
C6 C 0.56199(16) 0.77283(16) 0.0188(4) 0.0535(11) Uani 1 1 d . U . . .
C7 C 0.53145(19) 0.8045(2) -0.0504(5) 0.0770(17) Uani 1 1 d . U . . .
H7A H 0.502756 0.787908 -0.070436 0.115 Uiso 1 1 calc R U . . .
H7B H 0.548387 0.813370 -0.116799 0.115 Uiso 1 1 calc R U . . .
H7C H 0.523504 0.832607 -0.008791 0.115 Uiso 1 1 calc R U . . .
C8 C 0.54738(15) 0.64901(15) 0.3140(4) 0.0421(9) Uani 1 1 d . U . . .
H8 H 0.553885 0.675977 0.356581 0.051 Uiso 1 1 calc R U . . .
C9 C 0.68395(16) 0.26954(17) 0.6678(4) 0.0503(11) Uani 1 1 d . U . . .
H9A H 0.667428 0.276870 0.599896 0.075 Uiso 1 1 calc R U . . .
H9B H 0.712343 0.251819 0.651056 0.075 Uiso 1 1 calc R U . . .
H9C H 0.692381 0.298607 0.705191 0.075 Uiso 1 1 calc R U . . .
C10 C 0.59975(14) 0.18608(13) 0.8021(3) 0.0360(8) Uani 1 1 d . U . . .
C11 C 0.60883(16) 0.19715(16) 1.0107(3) 0.0461(10) Uani 1 1 d . U . . .
H11A H 0.609721 0.225786 1.054464 0.069 Uiso 1 1 calc R U . . .
H11B H 0.632348 0.175172 1.037914 0.069 Uiso 1 1 calc R U . . .
H11C H 0.577785 0.182940 1.016182 0.069 Uiso 1 1 calc R U . . .
C12 C 0.65291(14) 0.24095(14) 0.7403(3) 0.0368(8) Uani 1 1 d . U . . .
C13 C 0.68051(16) 0.27372(17) 0.9282(4) 0.0521(11) Uani 1 1 d . U . . .
H13A H 0.687860 0.302905 0.890097 0.078 Uiso 1 1 calc R U . . .
H13B H 0.709542 0.257206 0.945678 0.078 Uiso 1 1 calc R U . . .
H13C H 0.663606 0.280744 0.995800 0.078 Uiso 1 1 calc R U . . .
C14 C 0.54611(15) 0.51869(16) 0.3487(4) 0.0494(11) Uani 1 1 d . U . . .
H14 H 0.537862 0.492233 0.306039 0.059 Uiso 1 1 calc R U . . .
C15 C 0.5735(2) 0.82966(19) 0.1807(6) 0.0793(17) Uani 1 1 d . U . . .
H15A H 0.545685 0.845564 0.152528 0.119 Uiso 1 1 calc R U . . .
H15B H 0.600900 0.849685 0.170360 0.119 Uiso 1 1 calc R U . . .
H15C H 0.569372 0.823171 0.258666 0.119 Uiso 1 1 calc R U . . .
C16 C 0.57953(15) 0.41469(14) 0.6234(3) 0.0401(9) Uani 1 1 d . U . . .
C17 C 0.57775(17) 0.72692(18) -0.0121(4) 0.0552(11) Uani 1 1 d . U . . .
C18 C 0.57308(15) 0.37450(14) 0.5629(4) 0.0419(9) Uani 1 1 d . U . . .
H18 H 0.566999 0.376396 0.486738 0.050 Uiso 1 1 calc R U . . .
C19 C 0.60803(15) 0.71102(16) 0.0757(4) 0.0511(10) Uani 1 1 d . U . . .
C20 C 0.62061(14) 0.20641(13) 0.7052(3) 0.0368(8) Uani 1 1 d . U . . .
C21 C 0.52696(17) 0.61630(15) 0.1498(4) 0.0470(10) Uani 1 1 d . U . . .
H21 H 0.518727 0.619908 0.075147 0.056 Uiso 1 1 calc R U . . .
C22 C 0.59023(18) 0.40975(15) 0.7327(4) 0.0499(11) Uani 1 1 d . U . . .
H22 H 0.595853 0.436456 0.776813 0.060 Uiso 1 1 calc R U . . .
C23 C 0.61200(17) 0.19110(17) 0.5909(4) 0.0503(11) Uani 1 1 d . U . . .
H23A H 0.578726 0.184235 0.581272 0.076 Uiso 1 1 calc R U . . .
H23B H 0.630349 0.162949 0.575607 0.076 Uiso 1 1 calc R U . . .
H23C H 0.621266 0.216013 0.540488 0.076 Uiso 1 1 calc R U . . .
C24 C 0.54194(15) 0.56592(15) 0.3025(4) 0.0453(10) Uani 1 1 d . U . . .
C25 C 0.52972(18) 0.57173(16) 0.1929(4) 0.0527(11) Uani 1 1 d . U . . .
H25 H 0.523362 0.545309 0.148412 0.063 Uiso 1 1 calc R U . . .
C26 C 0.59265(17) 0.36533(14) 0.7773(4) 0.0451(10) Uani 1 1 d . U . . .
H26 H 0.600716 0.362254 0.852171 0.054 Uiso 1 1 calc R U . . .
C28 C 0.55060(16) 0.60567(15) 0.3627(4) 0.0456(10) Uani 1 1 d . U . . .
H28 H 0.558784 0.603231 0.437653 0.055 Uiso 1 1 calc R U . . .
C29 C 0.6339(2) 0.7456(2) 0.2623(5) 0.0776(17) Uani 1 1 d . U . . .
H29A H 0.612689 0.753572 0.322330 0.116 Uiso 1 1 calc R U . . .
H29B H 0.659300 0.768487 0.259216 0.116 Uiso 1 1 calc R U . . .
H29C H 0.646895 0.714384 0.274528 0.116 Uiso 1 1 calc R U . . .
C30 C 0.57553(14) 0.33159(14) 0.6137(3) 0.0376(9) Uani 1 1 d . U . . .
H30 H 0.570826 0.304266 0.571108 0.045 Uiso 1 1 calc R U . . .
C31 C 0.5669(2) 0.7026(2) -0.1159(5) 0.0784(17) Uani 1 1 d . U . . .
H31A H 0.568546 0.668785 -0.104657 0.118 Uiso 1 1 calc R U . . .
H31B H 0.589611 0.711869 -0.171759 0.118 Uiso 1 1 calc R U . . .
H31C H 0.535405 0.711183 -0.139951 0.118 Uiso 1 1 calc R U . . .
C32 C 0.56455(16) 0.14715(15) 0.8021(4) 0.0478(11) Uani 1 1 d . U . . .
H32A H 0.544052 0.150312 0.865764 0.072 Uiso 1 1 calc R U . . .
H32B H 0.580815 0.117065 0.805388 0.072 Uiso 1 1 calc R U . . .
H32C H 0.545837 0.148682 0.735226 0.072 Uiso 1 1 calc R U . . .
C34 C 0.57516(15) 0.46159(15) 0.5751(4) 0.0470(10) Uani 1 1 d . U . . .
H34 H 0.582276 0.488337 0.617863 0.056 Uiso 1 1 calc R U . . .
S1 S 0.62475(4) 0.28913(4) 0.30571(9) 0.0510(3) Uani 1 1 d . U . . .
F1 F 0.55081(13) 0.24957(15) 0.2232(3) 0.0923(11) Uani 1 1 d . U . . .
F4 F 0.55225(12) 0.25070(13) 0.3973(3) 0.0839(10) Uani 1 1 d . U . . .
F6 F 0.59658(15) 0.20303(12) 0.3106(4) 0.0968(12) Uani 1 1 d . U . . .
O1 O 0.64926(14) 0.28025(15) 0.2066(3) 0.0745(11) Uani 1 1 d . U . . .
O4 O 0.64938(14) 0.28193(15) 0.4041(3) 0.0740(11) Uani 1 1 d . U . . .
O6 O 0.59891(16) 0.33235(14) 0.3058(4) 0.0855(12) Uani 1 1 d . U . . .
C27 C 0.57861(19) 0.2460(2) 0.3086(4) 0.0624(13) Uani 1 1 d . U . . .
S2 S 0.58661(10) 0.54227(9) 0.8735(2) 0.1225(8) Uani 1 1 d . U . . .
F2 F 0.6252(4) 0.5229(4) 1.0559(8) 0.243(3) Uani 1 1 d . U . . .
F3 F 0.6520(4) 0.4856(3) 0.9294(9) 0.277(4) Uani 1 1 d . U . . .
F5 F 0.6665(4) 0.5575(4) 0.9556(11) 0.274(4) Uani 1 1 d . U . . .
O2 O 0.5571(3) 0.5063(3) 0.8804(9) 0.198(3) Uani 1 1 d . U . . .
O3 O 0.5714(3) 0.5830(2) 0.9194(6) 0.152(2) Uani 1 1 d . U . . .
O5 O 0.6059(4) 0.5463(4) 0.7657(8) 0.226(4) Uani 1 1 d . U . . .
C33 C 0.6320(6) 0.5244(6) 0.9497(15) 0.186(3) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl1 2.4523(10) . ?
Rh1 Cl2 2.4669(10) 5_666 ?
Rh1 N4 2.128(3) . ?
Rh1 C1 2.162(4) . ?
Rh1 C4 2.134(4) . ?
Rh1 C10 2.151(4) . ?
Rh1 C12 2.153(4) . ?
Rh1 C20 2.139(4) . ?
Rh2 Cl1 2.4489(10) 5_666 ?
Rh2 Cl2 2.4446(11) . ?
Rh2 N1 2.127(3) . ?
Rh2 C3 2.121(4) . ?
Rh2 C5 2.160(4) . ?
Rh2 C6 2.152(4) . ?
Rh2 C17 2.130(5) . ?
Rh2 C19 2.141(4) . ?
N1 C8 1.334(5) . ?
N1 C21 1.339(5) . ?
N2 N3 1.396(5) . ?
N2 C14 1.269(6) . ?
N3 C34 1.263(6) . ?
N4 C26 1.330(5) . ?
N4 C30 1.332(5) . ?
C1 C4 1.438(6) . ?
C1 C10 1.410(6) . ?
C1 C11 1.495(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C19 1.499(7) . ?
C3 C5 1.411(7) . ?
C3 C19 1.420(7) . ?
C3 C29 1.486(7) . ?
C4 C12 1.434(6) . ?
C4 C13 1.482(6) . ?
C5 C6 1.377(7) . ?
C5 C15 1.525(7) . ?
C6 C7 1.518(7) . ?
C6 C17 1.441(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8 0.9500 . ?
C8 C28 1.380(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C12 1.499(6) . ?
C10 C20 1.451(6) . ?
C10 C32 1.503(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C20 1.421(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C24 1.471(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.381(6) . ?
C16 C22 1.381(6) . ?
C16 C34 1.473(6) . ?
C17 C19 1.455(7) . ?
C17 C31 1.482(7) . ?
C18 H18 0.9500 . ?
C18 C30 1.379(5) . ?
C20 C23 1.487(6) . ?
C21 H21 0.9500 . ?
C21 C25 1.383(6) . ?
C22 H22 0.9500 . ?
C22 C26 1.386(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.397(6) . ?
C24 C28 1.379(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 H34 0.9500 . ?
S1 O1 1.425(4) . ?
S1 O4 1.412(4) . ?
S1 O6 1.442(4) . ?
S1 C27 1.808(6) . ?
F1 C27 1.319(6) . ?
F4 C27 1.329(6) . ?
F6 C27 1.335(7) . ?
S2 O2 1.335(7) . ?
S2 O3 1.365(6) . ?
S2 O5 1.435(9) . ?
S2 C33 1.680(15) . ?
F2 C33 1.316(17) . ?
F3 C33 1.274(14) . ?
F5 C33 1.371(17) . ?

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
Cl1 Rh1 Cl2 83.74(3) . 5_666 ?
N4 Rh1 Cl1 88.74(9) . . ?
N4 Rh1 Cl2 87.83(9) . 5_666 ?
N4 Rh1 C1 147.73(14) . . ?
N4 Rh1 C4 109.54(14) . . ?
N4 Rh1 C10 154.92(14) . . ?
N4 Rh1 C12 95.09(14) . . ?
N4 Rh1 C20 115.40(14) . . ?
C1 Rh1 Cl1 93.68(11) . . ?
C1 Rh1 Cl2 124.44(11) . 5_666 ?
C4 Rh1 Cl1 105.78(11) . . ?
C4 Rh1 Cl2 160.02(11) . 5_666 ?
C4 Rh1 C1 39.09(15) . . ?
C4 Rh1 C10 65.36(16) . . ?
C4 Rh1 C12 39.09(16) . . ?
C4 Rh1 C20 65.73(16) . . ?
C10 Rh1 Cl1 116.34(11) . . ?
C10 Rh1 Cl2 94.71(11) . 5_666 ?
C10 Rh1 C1 38.17(15) . . ?
C10 Rh1 C12 65.07(15) . . ?
C12 Rh1 Cl1 143.49(12) . . ?
C12 Rh1 Cl2 132.60(12) . 5_666 ?
C12 Rh1 C1 64.79(15) . . ?
C20 Rh1 Cl1 155.78(11) . . ?
C20 Rh1 Cl2 98.36(12) . 5_666 ?
C20 Rh1 C1 65.12(15) . . ?
C20 Rh1 C10 39.53(15) . . ?
C20 Rh1 C12 38.66(16) . . ?
Cl2 Rh2 Cl1 84.29(3) . 5_666 ?
N1 Rh2 Cl1 89.58(10) . 5_666 ?
N1 Rh2 Cl2 88.54(9) . . ?
N1 Rh2 C5 143.71(16) . . ?
N1 Rh2 C6 155.71(17) . . ?
N1 Rh2 C17 116.67(17) . . ?
N1 Rh2 C19 93.19(15) . . ?
C3 Rh2 Cl1 161.33(13) . 5_666 ?
C3 Rh2 Cl2 105.32(14) . . ?
C3 Rh2 N1 106.38(16) . . ?
C3 Rh2 C5 38.46(18) . . ?
C3 Rh2 C6 64.37(18) . . ?
C3 Rh2 C17 65.97(19) . . ?
C3 Rh2 C19 38.92(19) . . ?
C5 Rh2 Cl1 126.68(14) . 5_666 ?
C5 Rh2 Cl2 93.38(14) . . ?
C6 Rh2 Cl1 97.12(13) . 5_666 ?
C6 Rh2 Cl2 115.28(15) . . ?
C6 Rh2 C5 37.25(19) . . ?
C17 Rh2 Cl1 98.47(14) . 5_666 ?
C17 Rh2 Cl2 154.56(14) . . ?
C17 Rh2 C5 64.6(2) . . ?
C17 Rh2 C6 39.3(2) . . ?
C17 Rh2 C19 39.83(19) . . ?
C19 Rh2 Cl1 132.84(15) . 5_666 ?
C19 Rh2 Cl2 142.80(15) . . ?
C19 Rh2 C5 64.41(18) . . ?
C19 Rh2 C6 65.24(17) . . ?
Rh2 Cl1 Rh1 96.11(3) 5_666 . ?
Rh2 Cl2 Rh1 95.84(3) . 5_666 ?
C8 N1 Rh2 120.5(3) . . ?
C8 N1 C21 118.3(3) . . ?
C21 N1 Rh2 120.8(3) . . ?
C14 N2 N3 112.6(4) . . ?
C34 N3 N2 112.3(4) . . ?
C26 N4 Rh1 122.2(3) . . ?
C26 N4 C30 117.7(3) . . ?
C30 N4 Rh1 120.1(3) . . ?
C4 C1 Rh1 69.4(2) . . ?
C4 C1 C11 125.4(4) . . ?
C10 C1 Rh1 70.5(2) . . ?
C10 C1 C4 108.7(4) . . ?
C10 C1 C11 125.9(4) . . ?
C11 C1 Rh1 127.3(3) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C19 C2 H2A 109.5 . . ?
C19 C2 H2B 109.5 . . ?
C19 C2 H2C 109.5 . . ?
C5 C3 Rh2 72.3(3) . . ?
C5 C3 C19 108.2(4) . . ?
C5 C3 C29 125.0(5) . . ?
C19 C3 Rh2 71.3(3) . . ?
C19 C3 C29 126.8(5) . . ?
C29 C3 Rh2 125.4(4) . . ?
C1 C4 Rh1 71.5(2) . . ?
C1 C4 C13 125.7(4) . . ?
C12 C4 Rh1 71.2(2) . . ?
C12 C4 C1 107.2(4) . . ?
C12 C4 C13 126.8(4) . . ?
C13 C4 Rh1 127.8(3) . . ?
C3 C5 Rh2 69.3(3) . . ?
C3 C5 C15 124.6(5) . . ?
C6 C5 Rh2 71.1(3) . . ?
C6 C5 C3 109.5(5) . . ?
C6 C5 C15 125.9(5) . . ?
C15 C5 Rh2 126.3(4) . . ?
C5 C6 Rh2 71.7(3) . . ?
C5 C6 C7 125.8(5) . . ?
C5 C6 C17 108.9(4) . . ?
C7 C6 Rh2 126.6(3) . . ?
C17 C6 Rh2 69.5(3) . . ?
C17 C6 C7 125.3(5) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8 118.7 . . ?
N1 C8 C28 122.6(4) . . ?
C28 C8 H8 118.7 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 C9 H9A 109.5 . . ?
C12 C9 H9B 109.5 . . ?
C12 C9 H9C 109.5 . . ?
C1 C10 Rh1 71.3(2) . . ?
C1 C10 C20 108.0(4) . . ?
C1 C10 C32 127.0(4) . . ?
C20 C10 Rh1 69.8(2) . . ?
C20 C10 C32 125.0(4) . . ?
C32 C10 Rh1 125.3(3) . . ?
C1 C11 H11A 109.5 . . ?
C1 C11 H11B 109.5 . . ?
C1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C4 C12 Rh1 69.7(2) . . ?
C4 C12 C9 125.5(4) . . ?
C9 C12 Rh1 126.2(3) . . ?
C20 C12 Rh1 70.1(2) . . ?
C20 C12 C4 108.6(3) . . ?
C20 C12 C9 125.9(4) . . ?
C4 C13 H13A 109.5 . . ?
C4 C13 H13B 109.5 . . ?
C4 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 H14 120.1 . . ?
N2 C14 C24 119.8(5) . . ?
C24 C14 H14 120.1 . . ?
C5 C15 H15A 109.5 . . ?
C5 C15 H15B 109.5 . . ?
C5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 C22 117.7(4) . . ?
C18 C16 C34 122.2(4) . . ?
C22 C16 C34 120.1(4) . . ?
C6 C17 Rh2 71.2(3) . . ?
C6 C17 C19 106.1(4) . . ?
C6 C17 C31 126.0(5) . . ?
C19 C17 Rh2 70.5(3) . . ?
C19 C17 C31 127.8(5) . . ?
C31 C17 Rh2 125.6(4) . . ?
C16 C18 H18 120.2 . . ?
C30 C18 C16 119.5(4) . . ?
C30 C18 H18 120.2 . . ?
C2 C19 Rh2 126.5(3) . . ?
C3 C19 Rh2 69.8(3) . . ?
C3 C19 C2 127.7(5) . . ?
C3 C19 C17 107.2(4) . . ?
C17 C19 Rh2 69.7(3) . . ?
C17 C19 C2 125.1(5) . . ?
C10 C20 Rh1 70.7(2) . . ?
C10 C20 C23 125.7(4) . . ?
C12 C20 Rh1 71.2(2) . . ?
C12 C20 C10 107.4(3) . . ?
C12 C20 C23 126.7(4) . . ?
C23 C20 Rh1 126.8(3) . . ?
N1 C21 H21 118.8 . . ?
N1 C21 C25 122.4(4) . . ?
C25 C21 H21 118.8 . . ?
C16 C22 H22 120.4 . . ?
C16 C22 C26 119.1(4) . . ?
C26 C22 H22 120.4 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C14 120.0(4) . . ?
C28 C24 C14 122.6(4) . . ?
C28 C24 C25 117.4(4) . . ?
C21 C25 C24 119.4(4) . . ?
C21 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
N4 C26 C22 123.0(4) . . ?
N4 C26 H26 118.5 . . ?
C22 C26 H26 118.5 . . ?
C8 C28 H28 120.0 . . ?
C24 C28 C8 120.0(4) . . ?
C24 C28 H28 120.0 . . ?
C3 C29 H29A 109.5 . . ?
C3 C29 H29B 109.5 . . ?
C3 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N4 C30 C18 122.8(4) . . ?
N4 C30 H30 118.6 . . ?
C18 C30 H30 118.6 . . ?
C17 C31 H31A 109.5 . . ?
C17 C31 H31B 109.5 . . ?
C17 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C10 C32 H32A 109.5 . . ?
C10 C32 H32B 109.5 . . ?
C10 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N3 C34 C16 120.6(4) . . ?
N3 C34 H34 119.7 . . ?
C16 C34 H34 119.7 . . ?
O1 S1 O6 114.0(3) . . ?
O1 S1 C27 104.8(2) . . ?
O4 S1 O1 117.1(3) . . ?
O4 S1 O6 112.4(3) . . ?
O4 S1 C27 104.4(2) . . ?
O6 S1 C27 102.2(3) . . ?
F1 C27 S1 111.9(4) . . ?
F1 C27 F4 107.3(5) . . ?
F1 C27 F6 108.5(5) . . ?
F4 C27 S1 111.3(4) . . ?
F4 C27 F6 107.3(5) . . ?
F6 C27 S1 110.4(4) . . ?
O2 S2 O3 115.6(6) . . ?
O2 S2 O5 111.3(7) . . ?
O2 S2 C33 102.6(8) . . ?
O3 S2 O5 115.7(6) . . ?
O3 S2 C33 106.1(6) . . ?
O5 S2 C33 103.8(8) . . ?
F2 C33 S2 116.5(12) . . ?
F2 C33 F5 94.4(12) . . ?
F3 C33 S2 120.3(12) . . ?
F3 C33 F2 103.3(15) . . ?
F3 C33 F5 106.8(14) . . ?
F5 C33 S2 112.2(13) . . ?

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 N4 C26 C22 -175.7(4) . . . . ?
Rh1 N4 C30 C18 176.6(3) . . . . ?
Rh1 C1 C4 C12 -62.6(3) . . . . ?
Rh1 C1 C4 C13 123.8(4) . . . . ?
Rh1 C1 C10 C20 60.4(3) . . . . ?
Rh1 C1 C10 C32 -120.7(4) . . . . ?
Rh1 C4 C12 C9 120.6(4) . . . . ?
Rh1 C4 C12 C20 -59.6(3) . . . . ?
Rh1 C10 C20 C12 62.1(3) . . . . ?
Rh1 C10 C20 C23 -122.0(4) . . . . ?
Rh1 C12 C20 C10 -61.8(3) . . . . ?
Rh1 C12 C20 C23 122.3(4) . . . . ?
Rh2 N1 C8 C28 -173.2(3) . . . . ?
Rh2 N1 C21 C25 172.8(4) . . . . ?
Rh2 C3 C5 C6 -59.9(3) . . . . ?
Rh2 C3 C5 C15 120.5(5) . . . . ?
Rh2 C3 C19 C2 -121.2(5) . . . . ?
Rh2 C3 C19 C17 59.9(3) . . . . ?
Rh2 C5 C6 C7 122.4(5) . . . . ?
Rh2 C5 C6 C17 -59.8(3) . . . . ?
Rh2 C6 C17 C19 -62.3(3) . . . . ?
Rh2 C6 C17 C31 120.8(5) . . . . ?
Rh2 C17 C19 C2 121.0(5) . . . . ?
Rh2 C17 C19 C3 -60.0(3) . . . . ?
N1 C8 C28 C24 0.8(7) . . . . ?
N1 C21 C25 C24 -0.2(8) . . . . ?
N2 N3 C34 C16 -179.0(3) . . . . ?
N2 C14 C24 C25 174.5(4) . . . . ?
N2 C14 C24 C28 -4.2(7) . . . . ?
N3 N2 C14 C24 179.2(4) . . . . ?
C1 C4 C12 Rh1 62.8(3) . . . . ?
C1 C4 C12 C9 -176.5(4) . . . . ?
C1 C4 C12 C20 3.3(4) . . . . ?
C1 C10 C20 Rh1 -61.4(3) . . . . ?
C1 C10 C20 C12 0.7(4) . . . . ?
C1 C10 C20 C23 176.6(4) . . . . ?
C3 C5 C6 Rh2 58.8(3) . . . . ?
C3 C5 C6 C7 -178.8(4) . . . . ?
C3 C5 C6 C17 -1.0(5) . . . . ?
C4 C1 C10 Rh1 -59.1(3) . . . . ?
C4 C1 C10 C20 1.3(4) . . . . ?
C4 C1 C10 C32 -179.7(4) . . . . ?
C4 C12 C20 Rh1 59.3(3) . . . . ?
C4 C12 C20 C10 -2.5(4) . . . . ?
C4 C12 C20 C23 -178.3(4) . . . . ?
C5 C3 C19 Rh2 -63.3(3) . . . . ?
C5 C3 C19 C2 175.6(5) . . . . ?
C5 C3 C19 C17 -3.4(5) . . . . ?
C5 C6 C17 Rh2 61.2(3) . . . . ?
C5 C6 C17 C19 -1.1(5) . . . . ?
C5 C6 C17 C31 -178.0(5) . . . . ?
C6 C17 C19 Rh2 62.7(3) . . . . ?
C6 C17 C19 C2 -176.2(4) . . . . ?
C6 C17 C19 C3 2.8(5) . . . . ?
C7 C6 C17 Rh2 -121.0(4) . . . . ?
C7 C6 C17 C19 176.7(4) . . . . ?
C7 C6 C17 C31 -0.2(8) . . . . ?
C8 N1 C21 C25 0.5(7) . . . . ?
C9 C12 C20 Rh1 -120.9(4) . . . . ?
C9 C12 C20 C10 177.3(4) . . . . ?
C9 C12 C20 C23 1.5(7) . . . . ?
C10 C1 C4 Rh1 59.8(3) . . . . ?
C10 C1 C4 C12 -2.8(4) . . . . ?
C10 C1 C4 C13 -176.4(4) . . . . ?
C11 C1 C4 Rh1 -121.8(4) . . . . ?
C11 C1 C4 C12 175.6(4) . . . . ?
C11 C1 C4 C13 2.0(6) . . . . ?
C11 C1 C10 Rh1 122.4(4) . . . . ?
C11 C1 C10 C20 -177.1(4) . . . . ?
C11 C1 C10 C32 1.8(6) . . . . ?
C13 C4 C12 Rh1 -123.7(4) . . . . ?
C13 C4 C12 C9 -3.0(7) . . . . ?
C13 C4 C12 C20 176.8(4) . . . . ?
C14 N2 N3 C34 -177.8(4) . . . . ?
C14 C24 C25 C21 -178.5(4) . . . . ?
C14 C24 C28 C8 178.2(4) . . . . ?
C15 C5 C6 Rh2 -121.6(5) . . . . ?
C15 C5 C6 C7 0.8(8) . . . . ?
C15 C5 C6 C17 178.6(5) . . . . ?
C16 C18 C30 N4 -0.4(6) . . . . ?
C16 C22 C26 N4 -1.4(8) . . . . ?
C18 C16 C22 C26 -1.9(7) . . . . ?
C18 C16 C34 N3 5.0(6) . . . . ?
C19 C3 C5 Rh2 62.6(3) . . . . ?
C19 C3 C5 C6 2.8(5) . . . . ?
C19 C3 C5 C15 -176.8(5) . . . . ?
C21 N1 C8 C28 -0.8(6) . . . . ?
C22 C16 C18 C30 2.7(6) . . . . ?
C22 C16 C34 N3 -174.7(4) . . . . ?
C25 C24 C28 C8 -0.5(7) . . . . ?
C26 N4 C30 C18 -2.8(6) . . . . ?
C28 C24 C25 C21 0.2(7) . . . . ?
C29 C3 C5 Rh2 -121.2(5) . . . . ?
C29 C3 C5 C6 178.9(5) . . . . ?
C29 C3 C5 C15 -0.7(8) . . . . ?
C29 C3 C19 Rh2 120.7(5) . . . . ?
C29 C3 C19 C2 -0.5(8) . . . . ?
C29 C3 C19 C17 -179.5(5) . . . . ?
C30 N4 C26 C22 3.7(7) . . . . ?
C31 C17 C19 Rh2 -120.4(5) . . . . ?
C31 C17 C19 C2 0.6(8) . . . . ?
C31 C17 C19 C3 179.6(5) . . . . ?
C32 C10 C20 Rh1 119.6(4) . . . . ?
C32 C10 C20 C12 -178.2(4) . . . . ?
C32 C10 C20 C23 -2.3(6) . . . . ?
C34 C16 C18 C30 -177.0(4) . . . . ?
C34 C16 C22 C26 177.9(4) . . . . ?
O1 S1 C27 F1 -59.2(5) . . . . ?
O1 S1 C27 F4 -179.2(4) . . . . ?
O1 S1 C27 F6 61.8(4) . . . . ?
O4 S1 C27 F1 177.2(4) . . . . ?
O4 S1 C27 F4 57.2(5) . . . . ?
O4 S1 C27 F6 -61.8(4) . . . . ?
O6 S1 C27 F1 60.0(5) . . . . ?
O6 S1 C27 F4 -60.0(5) . . . . ?
O6 S1 C27 F6 -179.0(4) . . . . ?
O2 S2 C33 F2 -71.4(15) . . . . ?
O2 S2 C33 F3 54.6(18) . . . . ?
O2 S2 C33 F5 -178.6(12) . . . . ?
O3 S2 C33 F2 50.3(16) . . . . ?
O3 S2 C33 F3 176.3(16) . . . . ?
O3 S2 C33 F5 -56.9(14) . . . . ?
O5 S2 C33 F2 172.7(13) . . . . ?
O5 S2 C33 F3 -61.4(19) . . . . ?
O5 S2 C33 F5 65.5(13) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 402 electrons were 
found in a volume of 2750Å³ in 1 void per unit cell. 
This is consistent with the presence of 
0.088[C6H14O] per Asymmetric Unit 
which account for 464 electrons 
per unit cell.
;
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 0.250 0.250 0.379 1375.3 201.2 '4 C6H14O'
2 -0.250 0.750 -0.649 1375.3 201.2 '4 C6H14O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
