#------------------------------------------------------------------------------
#$Date: 2023-04-01 01:59:55 +0300 (Sat, 01 Apr 2023) $
#$Revision: 282165 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/27/7712714.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7712714
loop_
_publ_author_name
'Parche, Joshua'
'Rupf, Susanne M.'
'Sievers, Robin'
'Malischewski, Moritz'
_publ_section_title
;
 Substitution Lability of the Perfluorinated Cp* Ligand in Rh(I) Complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00425B
_journal_year                    2023
_chemical_formula_moiety         '2(C18 H20 F2 N2 Rh), 2(C10 F15)'
_chemical_formula_sum            'C56 H40 F34 N4 Rh2'
_chemical_formula_weight         1620.74
_chemical_properties_physical    Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-12-01
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2023-02-09 deposited with the CCDC.	2023-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                112.269(4)
_cell_angle_beta                 91.270(3)
_cell_angle_gamma                104.241(3)
_cell_formula_units_Z            2
_cell_length_a                   14.3033(16)
_cell_length_b                   14.7648(13)
_cell_length_c                   15.3305(13)
_cell_measurement_reflns_used    9886
_cell_measurement_temperature    112.0
_cell_measurement_theta_max      25.12
_cell_measurement_theta_min      2.37
_cell_volume                     2879.9(5)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      112.0
_diffrn_measured_fraction_theta_full 0.999
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_unetI/netI     0.0369
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            67365
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.545
_diffrn_reflns_theta_min         2.050
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1569 before and 0.1021 after correction.
The Ratio of minimum to maximum transmission is 0.8391.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.153
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1009
_refine_ls_number_reflns         13238
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0474
_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)+(0.0406P)²+8.1232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1129
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10822
_reflns_number_total             13238
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00425b2.cif
_cod_data_source_block           p_1_fast
_cod_database_code               7712714
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.918
_shelx_estimated_absorpt_t_min   0.817
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C34) = Uanis(C01S) = Uanis(C26) = Uanis(C022) = Uanis(C14) = Uanis(C02I)
= Uanis(C1) = Uanis(C027) = Uanis(C2) = Uanis(C01O)
Uanis(C02L) = Uanis(C13)
Uanis(C3) = Uanis(C21)
Uanis(F19) = Uanis(F18) = Uanis(F17)
Uanis(F7) = Uanis(F10) = Uanis(F2) = Uanis(F016) = Uanis(F6) = Uanis(F14)
3. Others
 Fixed Sof: F00L(0.7) F00N(0.75) F00O(0.66667) F00R(0.66667) F00S(0.5)
 F00X(0.66667) H00Y(0.3) F011(0.66667) F016(0.5) F01F(0.66667) F3(0.5)
 H01I(0.7) H01J(0.4) F01N(0.5) C01O(0.5) C01S(0.5) C3(0.33333) F01V(0.25)
 C022(0.5) F023(0.66667) H024(0.6) C027(0.5) F02B(0.66667) F02C(0.6) C02I(0.5)
 C02K(0.5) C02L(0.5) F02M(0.4) F02N(0.3) C02O(0.5) C02P(0.5) C4(0.5) F2(0.5)
 C7(0.5) C10(0.5) C13(0.5) C15(0.5) C16(0.5) F5(0.5) F1(0.5) F4(0.5) F6(0.5)
 F7(0.5) F14(0.5) C1(0.5) C14(0.5) C2(0.5) C26(0.5) C34(0.5) F9(0.33333)
 F12(0.33333) F15(0.33333) F13(0.33333) F16(0.33333) F17(0.33333) F19(0.33333)
 C21(0.66667) F22(0.75) F21(0.25) F10(0.5)
4.a Ternary CH refined with riding coordinates:
 C015(H015), C018(H018), C01B(H01B), C01K(H01K), C01P(H01P), C01Y(H01Y),
 C01Z(H01Z), C029(H029)
4.b Secondary CH2 refined with riding coordinates:
 C01L(H01L,H01M), C01M(H01D,H01E), C01R(H01N,H01O), C01X(H01R,H01S), C025(H02A,
 H02B), C02E(H02G,H02H), C02H(H02C,H02D), C02J(H02E,H02F)
4.c Aromatic/amide H refined with riding coordinates:
 C00Q(H00Q), C00Y(H00Y), C017(H017), C019(H019), C01A(H01A), C01C(H01C),
 C01D(H01F), C01E(H01H), C01G(H01G), C01I(H01I), C01J(H01J), C01Q(H01Q),
 C01U(H01U), C01W(H01W), C020(H020), C021(H021), C024(H024), C028(H028)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Rh01 Rh 0.76075(2) 0.77205(2) 0.09505(2) 0.02269(7) Uani 1 1 d . . . . .
Rh02 Rh 0.30699(2) 0.73951(2) 0.59426(2) 0.02713(8) Uani 1 1 d . . . . .
F003 F -0.03464(19) 0.2803(2) 0.4353(2) 0.0505(6) Uani 1 1 d . . . . .
F004 F 0.49316(18) 0.7237(2) 0.0830(2) 0.0477(6) Uani 1 1 d . . . . .
F005 F 0.49665(18) 0.87095(18) 0.18675(19) 0.0453(6) Uani 1 1 d . . . . .
F006 F 0.3243(2) 0.9497(2) 0.1197(2) 0.0538(7) Uani 1 1 d . . . . .
F007 F 0.1149(2) 0.5916(2) 0.25867(19) 0.0514(7) Uani 1 1 d . . . . .
F008 F 0.3494(2) 0.6276(2) 0.2873(2) 0.0582(8) Uani 1 1 d . . . . .
F009 F 0.3938(2) 0.55532(19) 0.1500(2) 0.0532(7) Uani 1 1 d . . . . .
F00A F 0.4817(2) 0.9350(2) 0.3894(2) 0.0604(8) Uani 1 1 d . . . . .
F00C F 0.2680(3) 0.8308(2) -0.0183(2) 0.0682(9) Uani 1 1 d . . . . .
F00E F 0.5411(2) 0.4398(2) 0.1254(3) 0.0714(10) Uani 1 1 d . . . . .
N00F N 0.7767(2) 0.8295(2) 0.2449(2) 0.0247(6) Uani 1 1 d . . . . .
F00G F 0.0336(2) 0.6991(2) 0.0357(2) 0.0579(7) Uani 1 1 d . . . . .
N00I N 0.2856(3) 0.5951(2) 0.4823(2) 0.0344(7) Uani 1 1 d . . . . .
N00K N 0.7334(2) 0.6230(2) 0.0911(2) 0.0247(6) Uani 1 1 d . . . . .
F00L F 0.9781(3) 0.9040(3) 0.4232(3) 0.0533(10) Uani 0.7 1 d . . P A 1
F00N F 0.0498(3) 0.0236(3) 0.2880(3) 0.0521(9) Uani 0.75 1 d . . P B 1
F00O F 0.0851(5) 0.4366(6) 0.5735(5) 0.0430(14) Uani 0.6667 1 d . . P C 1
N00P N 0.3066(2) 0.8023(2) 0.4919(2) 0.0293(7) Uani 1 1 d . . . . .
C00Q C 0.7098(3) 0.8636(3) 0.2980(3) 0.0320(8) Uani 1 1 d . . . . .
H00Q H 0.647610 0.854588 0.267727 0.038 Uiso 1 1 calc R U . . .
F00R F 0.3868(3) 0.1397(4) 0.4235(4) 0.0550(12) Uani 0.6667 1 d . . P D 1
F00S F 0.4660(6) 0.7055(6) 0.2463(6) 0.0450(18) Uani 0.5 1 d . . P E 1
C00U C 0.2637(3) 0.2254(3) 0.4370(3) 0.0354(9) Uani 1 1 d . . . . .
C00V C 0.1725(3) 0.1760(3) 0.3828(3) 0.0338(8) Uani 1 1 d . . . . .
C00W C 0.1061(3) 0.2232(3) 0.4333(3) 0.0337(8) Uani 1 1 d . . . . .
F00X F 0.1640(4) 0.4150(5) 0.6774(4) 0.0575(14) Uani 0.6667 1 d . . P C 1
C00Y C 0.8851(3) 0.8898(3) 0.3864(3) 0.0374(9) Uani 1 1 d . . . . .
H00Y H 0.947695 0.898180 0.415434 0.045 Uiso 0.3 1 calc R U P A 2
C00Z C 0.1541(3) 0.2990(3) 0.5211(3) 0.0310(8) Uani 1 1 d . . . . .
C010 C 0.2535(3) 0.3008(3) 0.5233(3) 0.0325(8) Uani 1 1 d . . . . .
F011 F 0.3082(5) 0.3421(4) 0.6803(4) 0.0596(14) Uani 0.6667 1 d . . P F 1
C012 C 0.6286(3) 0.4828(3) 0.1095(3) 0.0377(9) Uani 1 1 d . . . . .
C013 C 0.3934(3) 0.8897(3) 0.4052(3) 0.0352(9) Uani 1 1 d . . . . .
F8 F 0.0633(3) 0.8106(3) 0.1781(3) 0.0885(12) Uani 1 1 d . . . . .
C015 C 0.3604(3) 0.6962(3) 0.7000(3) 0.0347(9) Uani 1 1 d . . . . .
H015 H 0.391685 0.639479 0.674149 0.042 Uiso 1 1 calc R U . . .
F016 F 0.1966(5) 0.4982(5) 0.1735(5) 0.0599(8) Uani 0.5 1 d . . P E 1
C017 C 0.1946(3) 0.5407(3) 0.4406(3) 0.0454(11) Uani 1 1 d . . . . .
H017 H 0.141439 0.567507 0.461961 0.054 Uiso 1 1 calc R U . . .
C018 C 0.7336(3) 0.9057(3) 0.0901(3) 0.0338(8) Uani 1 1 d . . . . .
H018 H 0.702142 0.943492 0.144774 0.041 Uiso 1 1 calc R U . . .
C019 C 0.8039(3) 0.5757(3) 0.0816(3) 0.0304(8) Uani 1 1 d . . . . .
H019 H 0.866350 0.608226 0.071627 0.037 Uiso 1 1 calc R U . . .
C01A C 0.8184(3) 0.9254(3) 0.4417(3) 0.0400(10) Uani 1 1 d . . . . .
H01A H 0.832881 0.958400 0.508887 0.048 Uiso 1 1 calc R U . . .
C01B C 0.8104(3) 0.7346(3) -0.0406(3) 0.0367(9) Uani 1 1 d . . . . .
H01B H 0.835326 0.673079 -0.061248 0.044 Uiso 1 1 calc R U . . .
C01C C 0.8636(3) 0.8422(3) 0.2897(3) 0.0324(8) Uani 1 1 d . . . . .
H01C H 0.911613 0.817508 0.253213 0.039 Uiso 1 1 calc R U . . .
C01D C 0.2241(3) 0.7994(3) 0.4465(3) 0.0331(8) Uani 1 1 d . . . . .
H01F H 0.163765 0.767159 0.460697 0.040 Uiso 1 1 calc R U . . .
C01E C 0.3586(4) 0.5558(3) 0.4506(3) 0.0434(10) Uani 1 1 d . . . . .
H01H H 0.423266 0.593357 0.479635 0.052 Uiso 1 1 calc R U . . .
F01F F 0.3397(3) 0.1640(4) 0.3009(3) 0.0681(14) Uani 0.6667 1 d . . P D 1
C01G C 0.6994(3) 0.4333(3) 0.1005(3) 0.0367(9) Uani 1 1 d . . . . .
H01G H 0.687012 0.368729 0.104197 0.044 Uiso 1 1 calc R U . . .
F3 F 0.4526(5) 0.8329(7) 0.0463(6) 0.055(2) Uani 0.5 1 d . . P E 1
C01I C 0.7292(4) 0.9114(3) 0.3957(3) 0.0410(10) Uani 1 1 d . . . . .
H01I H 0.680363 0.934881 0.431599 0.049 Uiso 0.7 1 calc R U P G 1
C01J C 0.1778(4) 0.4466(4) 0.3672(3) 0.0531(13) Uani 1 1 d . . . . .
H01J H 0.112919 0.409335 0.338944 0.064 Uiso 0.4 1 calc R U P H 2
C01K C 0.2702(3) 0.8625(3) 0.7023(3) 0.0307(8) Uani 1 1 d . . . . .
H01K H 0.234562 0.900099 0.677752 0.037 Uiso 1 1 calc R U . . .
C01L C 0.4445(3) 0.8871(3) 0.7707(3) 0.0348(9) Uani 1 1 d . . . . .
H01L H 0.449091 0.944526 0.832425 0.042 Uiso 1 1 calc R U . . .
H01M H 0.508839 0.897370 0.747726 0.042 Uiso 1 1 calc R U . . .
C01M C 0.6857(4) 0.8874(4) -0.0069(4) 0.0512(12) Uani 1 1 d . . . . .
H01D H 0.628840 0.915457 0.001675 0.061 Uiso 1 1 calc R U . . .
H01E H 0.732447 0.924983 -0.036457 0.061 Uiso 1 1 calc R U . . .
F01N F 0.1752(5) 0.8837(5) 0.0721(5) 0.0546(16) Uani 0.5 1 d . . P E 1
C01O C 0.3447(8) 0.7587(7) 0.1285(7) 0.0266(6) Uani 0.5 1 d . . P E 1
C01P C 0.3696(3) 0.8887(3) 0.7002(3) 0.0304(8) Uani 1 1 d . . . . .
H01P H 0.392931 0.941869 0.674177 0.036 Uiso 1 1 calc R U . . .
C01Q C 0.6461(3) 0.5764(3) 0.1048(3) 0.0330(8) Uani 1 1 d . . . . .
H01Q H 0.595123 0.608504 0.111413 0.040 Uiso 1 1 calc R U . . .
C01R C 0.2240(3) 0.8324(3) 0.7796(3) 0.0348(9) Uani 1 1 d . . . . .
H01N H 0.166407 0.858721 0.794231 0.042 Uiso 1 1 calc R U . . .
H01O H 0.271170 0.863988 0.838212 0.042 Uiso 1 1 calc R U . . .
C01S C 0.2582(6) 0.7804(9) 0.1094(8) 0.0266(6) Uani 0.5 1 d . . P E 1
C3 C 0.3698(16) 0.208(2) 0.4235(16) 0.0378(17) Uani 0.3333 1 d . . P I 2
C01U C 0.2517(5) 0.4058(3) 0.3342(4) 0.0571(14) Uani 1 1 d . . . . .
H01U H 0.240020 0.340680 0.283631 0.069 Uiso 1 1 calc R U . . .
F01V F 0.2380(12) 0.1070(10) 0.2336(9) 0.065(4) Uani 0.25 1 d . . P B 2
C01W C 0.3915(3) 0.8467(3) 0.4707(3) 0.0327(8) Uani 1 1 d . . . . .
H01W H 0.450810 0.848433 0.501206 0.039 Uiso 1 1 calc R U . . .
C01X C 0.1930(3) 0.7164(3) 0.7490(3) 0.0368(9) Uani 1 1 d . . . . .
H01R H 0.191702 0.700817 0.806428 0.044 Uiso 1 1 calc R U . . .
H01S H 0.126268 0.688632 0.714550 0.044 Uiso 1 1 calc R U . . .
C01Y C 0.7096(3) 0.7124(3) -0.0532(3) 0.0355(9) Uani 1 1 d . . . . .
H01Y H 0.675446 0.637899 -0.081117 0.043 Uiso 1 1 calc R U . . .
C01Z C 0.2595(3) 0.6646(3) 0.6865(3) 0.0329(8) Uani 1 1 d . . . . .
H01Z H 0.231869 0.589245 0.652790 0.040 Uiso 1 1 calc R U . . .
C020 C 0.7889(3) 0.4811(3) 0.0859(3) 0.0354(9) Uani 1 1 d . . . . .
H020 H 0.840324 0.449683 0.078673 0.042 Uiso 1 1 calc R U . . .
C021 C 0.2231(3) 0.8417(3) 0.3798(3) 0.0372(9) Uani 1 1 d . . . . .
H021 H 0.163117 0.838112 0.349015 0.045 Uiso 1 1 calc R U . . .
C022 C 0.1801(7) 0.7177(6) 0.1306(6) 0.0266(6) Uani 0.5 1 d . . P E 1
F023 F 0.4107(3) 0.3249(4) 0.5882(4) 0.0696(14) Uani 0.6667 1 d . . P F 1
C024 C 0.3427(5) 0.4619(4) 0.3765(4) 0.0557(13) Uani 1 1 d . . . . .
H024 H 0.396483 0.436309 0.355034 0.067 Uiso 0.6 1 calc R U P J 1
C025 C 0.6530(4) 0.7775(4) -0.0731(3) 0.0459(11) Uani 1 1 d . . . . .
H02A H 0.658522 0.772259 -0.139013 0.055 Uiso 1 1 calc R U . . .
H02B H 0.583427 0.750143 -0.069073 0.055 Uiso 1 1 calc R U . . .
C026 C 0.0024(3) 0.2018(3) 0.3954(4) 0.0483(11) Uani 1 1 d . . . . .
C027 C 0.3193(6) 0.6833(6) 0.1647(6) 0.0266(6) Uani 0.5 1 d . . P E 1
C028 C 0.3097(3) 0.8887(3) 0.3586(3) 0.0368(9) Uani 1 1 d . . . . .
H028 H 0.311673 0.919032 0.313736 0.044 Uiso 1 1 calc R U . . .
C029 C 0.8330(3) 0.9226(3) 0.1106(3) 0.0390(9) Uani 1 1 d . . . . .
H029 H 0.860236 0.970301 0.177581 0.047 Uiso 1 1 calc R U . . .
C02A C 0.1474(4) 0.0809(4) 0.2944(3) 0.0529(13) Uani 1 1 d . . . . .
F02B F 0.3506(6) 0.4567(4) 0.6261(5) 0.082(2) Uani 0.6667 1 d . . P F 1
F02C F 0.0845(4) 0.4013(4) 0.3246(4) 0.0796(18) Uani 0.6 1 d . . P K 1
C02E C 0.4206(3) 0.7876(3) 0.7861(3) 0.0368(9) Uani 1 1 d . . . . .
H02G H 0.482073 0.773870 0.800927 0.044 Uiso 1 1 calc R U . . .
H02H H 0.384310 0.795870 0.841580 0.044 Uiso 1 1 calc R U . . .
C02F C 0.1061(3) 0.3601(4) 0.5968(4) 0.0483(11) Uani 1 1 d . . . . .
C02G C 0.3309(4) 0.3660(4) 0.6030(4) 0.0529(12) Uani 1 1 d . . . . .
C02H C 0.8787(4) 0.8262(4) -0.0494(4) 0.0528(12) Uani 1 1 d . . . . .
H02C H 0.938734 0.808513 -0.071837 0.063 Uiso 1 1 calc R U . . .
H02D H 0.847489 0.841789 -0.098374 0.063 Uiso 1 1 calc R U . . .
C02I C 0.2176(6) 0.6555(6) 0.1630(6) 0.0266(6) Uani 0.5 1 d . . P E 1
C02J C 0.9058(4) 0.9194(4) 0.0406(4) 0.0609(14) Uani 1 1 d . . . . .
H02E H 0.914034 0.979841 0.024939 0.073 Uiso 1 1 calc R U . . .
H02F H 0.969424 0.924130 0.071451 0.073 Uiso 1 1 calc R U . . .
C02K C 0.2588(7) 0.8612(7) 0.0708(6) 0.0285(17) Uani 0.5 1 d . . P E 1
C02L C 0.4456(6) 0.7972(6) 0.1129(6) 0.0313(11) Uani 0.5 1 d . . P E 1
F02M F 0.4210(7) 0.4295(6) 0.3390(7) 0.087(3) Uani 0.4 1 d . . P L 2
F02N F 0.6522(9) 0.9398(9) 0.4341(7) 0.075(3) Uani 0.3 1 d . . P M 2
C02O C 0.1534(6) 0.5656(7) 0.1787(6) 0.0327(17) Uani 0.5 1 d . . P E 1
C02P C 0.3821(6) 0.6438(5) 0.2118(5) 0.0256(14) Uani 0.5 1 d . . P E 1
C4 C 0.0986(7) 0.7683(8) 0.0981(9) 0.056(3) Uani 0.5 1 d . . P E 2
F2 F 0.0231(5) 0.6802(5) 0.1736(5) 0.0599(8) Uani 0.5 1 d . . P E 1
C7 C 0.3192(9) 0.5911(8) 0.1984(8) 0.056(3) Uani 0.5 1 d . . P E 2
C10 C 0.1055(9) 0.5931(8) 0.1685(9) 0.058(3) Uani 0.5 1 d . . P E 2
C13 C 0.4507(6) 0.7643(6) 0.1522(6) 0.0313(11) Uani 0.5 1 d . . P E 2
C15 C 0.0770(6) 0.7266(7) 0.1277(7) 0.039(2) Uani 0.5 1 d . . P E 1
C16 C 0.3127(10) 0.8578(8) 0.0626(7) 0.051(3) Uani 0.5 1 d . . P E 2
F5 F 0.4844(6) 0.7371(6) 0.2261(6) 0.057(2) Uani 0.5 1 d . . P E 2
F1 F 0.4078(6) 0.8521(7) 0.0347(5) 0.077(3) Uani 0.5 1 d . . P E 2
F4 F 0.1202(6) 0.8539(5) 0.0831(7) 0.083(3) Uani 0.5 1 d . . P E 2
F6 F 0.2434(5) 0.5054(5) 0.1840(5) 0.0599(8) Uani 0.5 1 d . . P E 2
F7 F 0.0667(6) 0.5190(5) 0.1094(7) 0.0599(8) Uani 0.5 1 d . . P E 1
F14 F 0.0890(6) 0.4948(5) 0.1083(6) 0.0599(8) Uani 0.5 1 d . . P E 2
C1 C 0.2880(6) 0.6628(6) 0.1632(6) 0.0266(6) Uani 0.5 1 d . . P E 2
C14 C 0.1895(6) 0.6622(6) 0.1506(6) 0.0266(6) Uani 0.5 1 d . . P E 2
C2 C 0.3433(8) 0.7379(7) 0.1377(7) 0.0266(6) Uani 0.5 1 d . . P E 2
C26 C 0.1870(7) 0.7389(6) 0.1164(6) 0.0266(6) Uani 0.5 1 d . . P E 2
C34 C 0.2822(6) 0.7848(9) 0.1067(8) 0.0266(6) Uani 0.5 1 d . . P E 2
F9 F 0.1495(10) 0.3642(9) 0.6888(9) 0.072(4) Uani 0.3333 1 d . . P C 2
F12 F 0.0877(18) 0.4378(17) 0.6137(17) 0.128(11) Uani 0.3333 1 d . . P C 2
F28 F 0.0210(2) 0.3044(2) 0.6081(2) 0.0567(7) Uani 1 1 d . . . . .
F15 F 0.4153(6) 0.4211(8) 0.5705(6) 0.066(3) Uani 0.3333 1 d . . P F 2
F13 F 0.3040(10) 0.4584(11) 0.6640(11) 0.093(5) Uani 0.3333 1 d . . P F 2
F16 F 0.3717(11) 0.3523(9) 0.6656(11) 0.086(5) Uani 0.3333 1 d . . P F 2
F17 F 0.4252(7) 0.2289(9) 0.5040(10) 0.0844(11) Uani 0.3333 1 d . . P I 2
F19 F 0.3610(8) 0.1172(10) 0.3709(12) 0.0844(11) Uani 0.3333 1 d . . P I 2
F18 F 0.4253(2) 0.2828(3) 0.4102(3) 0.0844(11) Uani 1 1 d . . . . .
C21 C 0.3497(7) 0.2040(9) 0.3949(7) 0.0378(17) Uani 0.6667 1 d . . P D 1
F23 F 0.1935(2) 0.0144(2) 0.29714(19) 0.0605(8) Uani 1 1 d . . . . .
F22 F 0.1490(4) 0.0916(4) 0.2140(3) 0.0662(13) Uani 0.75 1 d . . P B 1
F21 F 0.0850(14) 0.0592(11) 0.2425(10) 0.072(4) Uani 0.25 1 d . . P B 2
F24 F -0.0590(2) 0.1243(2) 0.4076(3) 0.0817(11) Uani 1 1 d . . . . .
F26 F -0.0086(2) 0.1815(3) 0.3018(2) 0.0736(10) Uani 1 1 d . . . . .
F10 F 0.0194(5) 0.6265(5) 0.1652(5) 0.0599(8) Uani 0.5 1 d . . P E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N00F Rh01 N00K 89.17(11) . . ?
N00F Rh01 C018 93.71(14) . . ?
N00F Rh01 C01B 155.31(15) . . ?
N00F Rh01 C01Y 166.54(14) . . ?
N00F Rh01 C029 86.62(14) . . ?
N00K Rh01 C018 159.67(14) . . ?
N00K Rh01 C01B 94.67(14) . . ?
N00K Rh01 C01Y 90.67(13) . . ?
N00K Rh01 C029 162.21(15) . . ?
C018 Rh01 C01Y 81.92(16) . . ?
C01B Rh01 C018 91.08(16) . . ?
C01B Rh01 C01Y 38.04(16) . . ?
C01B Rh01 C029 82.30(17) . . ?
C029 Rh01 C018 38.08(16) . . ?
C029 Rh01 C01Y 97.39(17) . . ?
N00I Rh02 C015 94.63(14) . . ?
N00I Rh02 C01K 158.09(14) . . ?
N00I Rh02 C01P 164.04(15) . . ?
N00I Rh02 C01Z 88.63(14) . . ?
N00P Rh02 N00I 88.60(12) . . ?
N00P Rh02 C015 160.11(15) . . ?
N00P Rh02 C01K 93.98(13) . . ?
N00P Rh02 C01P 89.24(13) . . ?
N00P Rh02 C01Z 162.00(14) . . ?
C01K Rh02 C015 90.30(15) . . ?
C01P Rh02 C015 82.27(15) . . ?
C01P Rh02 C01K 37.86(15) . . ?
C01Z Rh02 C015 37.89(15) . . ?
C01Z Rh02 C01K 82.22(15) . . ?
C01Z Rh02 C01P 98.11(14) . . ?
C00Q N00F Rh01 124.4(3) . . ?
C00Q N00F C01C 117.9(3) . . ?
C01C N00F Rh01 117.3(2) . . ?
C017 N00I Rh02 118.9(3) . . ?
C01E N00I Rh02 122.7(3) . . ?
C01E N00I C017 118.4(4) . . ?
C019 N00K Rh01 121.7(2) . . ?
C01Q N00K Rh01 119.9(2) . . ?
C01Q N00K C019 118.2(3) . . ?
C01D N00P Rh02 122.3(3) . . ?
C01D N00P C01W 118.4(3) . . ?
C01W N00P Rh02 119.3(3) . . ?
N00F C00Q H00Q 119.2 . . ?
N00F C00Q C01I 121.5(4) . . ?
C01I C00Q H00Q 119.2 . . ?
C00V C00U C010 109.0(4) . . ?
C00V C00U C3 133.5(9) . . ?
C00V C00U C21 119.3(5) . . ?
C010 C00U C3 117.3(9) . . ?
C010 C00U C21 131.1(5) . . ?
C00U C00V C02A 126.6(4) . . ?
C00W C00V C00U 107.3(4) . . ?
C00W C00V C02A 125.5(4) . . ?
C00V C00W C00Z 109.3(4) . . ?
C00V C00W C026 124.5(4) . . ?
C00Z C00W C026 125.9(4) . . ?
C01A C00Y F00L 122.3(4) . . ?
C01A C00Y H00Y 119.4 . . ?
C01A C00Y C01C 121.2(4) . . ?
C01C C00Y F00L 116.3(4) . . ?
C01C C00Y H00Y 119.4 . . ?
C00W C00Z C010 107.1(4) . . ?
C00W C00Z C02F 125.0(4) . . ?
C010 C00Z C02F 127.9(4) . . ?
C00U C010 C00Z 107.3(4) . . ?
C00U C010 C02G 126.4(4) . . ?
C00Z C010 C02G 126.2(4) . . ?
F00E C012 C01G 118.9(4) . . ?
F00E C012 C01Q 119.2(4) . . ?
C01G C012 C01Q 121.9(4) . . ?
F00A C013 C01W 117.0(4) . . ?
F00A C013 C028 121.0(4) . . ?
C01W C013 C028 122.0(4) . . ?
Rh02 C015 H015 114.0 . . ?
C01Z C015 Rh02 70.6(2) . . ?
C01Z C015 H015 114.0 . . ?
C01Z C015 C02E 123.9(4) . . ?
C02E C015 Rh02 112.6(2) . . ?
C02E C015 H015 114.0 . . ?
N00I C017 H017 119.7 . . ?
N00I C017 C01J 120.6(5) . . ?
C01J C017 H017 119.7 . . ?
Rh01 C018 H018 114.4 . . ?
C01M C018 Rh01 112.5(3) . . ?
C01M C018 H018 114.4 . . ?
C029 C018 Rh01 70.8(2) . . ?
C029 C018 H018 114.4 . . ?
C029 C018 C01M 122.9(4) . . ?
N00K C019 H019 118.8 . . ?
N00K C019 C020 122.4(4) . . ?
C020 C019 H019 118.8 . . ?
C00Y C01A H01A 121.6 . . ?
C00Y C01A C01I 116.8(4) . . ?
C01I C01A H01A 121.6 . . ?
Rh01 C01B H01B 113.9 . . ?
C01Y C01B Rh01 71.4(2) . . ?
C01Y C01B H01B 113.9 . . ?
C01Y C01B C02H 124.3(4) . . ?
C02H C01B Rh01 112.1(3) . . ?
C02H C01B H01B 113.9 . . ?
N00F C01C C00Y 121.9(4) . . ?
N00F C01C H01C 119.1 . . ?
C00Y C01C H01C 119.1 . . ?
N00P C01D H01F 118.7 . . ?
N00P C01D C021 122.7(4) . . ?
C021 C01D H01F 118.7 . . ?
N00I C01E H01H 119.2 . . ?
N00I C01E C024 121.6(5) . . ?
C024 C01E H01H 119.2 . . ?
C012 C01G H01G 121.5 . . ?
C012 C01G C020 116.9(4) . . ?
C020 C01G H01G 121.5 . . ?
C00Q C01I H01I 119.7 . . ?
C01A C01I C00Q 120.7(4) . . ?
C01A C01I H01I 119.7 . . ?
F02N C01I C00Q 111.3(6) . . ?
F02N C01I C01A 128.1(6) . . ?
C017 C01J H01J 119.2 . . ?
C01U C01J C017 121.6(5) . . ?
C01U C01J H01J 119.2 . . ?
C01U C01J F02C 122.0(5) . . ?
F02C C01J C017 116.1(6) . . ?
Rh02 C01K H01K 114.3 . . ?
C01P C01K Rh02 71.0(2) . . ?
C01P C01K H01K 114.3 . . ?
C01P C01K C01R 123.0(3) . . ?
C01R C01K Rh02 112.5(2) . . ?
C01R C01K H01K 114.3 . . ?
H01L C01L H01M 107.8 . . ?
C01P C01L H01L 108.9 . . ?
C01P C01L H01M 108.9 . . ?
C01P C01L C02E 113.2(3) . . ?
C02E C01L H01L 108.9 . . ?
C02E C01L H01M 108.9 . . ?
C018 C01M H01D 108.8 . . ?
C018 C01M H01E 108.8 . . ?
H01D C01M H01E 107.7 . . ?
C025 C01M C018 113.7(3) . . ?
C025 C01M H01D 108.8 . . ?
C025 C01M H01E 108.8 . . ?
C01S C01O C02L 131.8(8) . . ?
C027 C01O C01S 106.5(11) . . ?
C027 C01O C02L 121.6(9) . . ?
Rh02 C01P H01P 114.2 . . ?
C01K C01P Rh02 71.1(2) . . ?
C01K C01P C01L 124.6(3) . . ?
C01K C01P H01P 114.2 . . ?
C01L C01P Rh02 110.6(2) . . ?
C01L C01P H01P 114.2 . . ?
N00K C01Q C012 121.0(4) . . ?
N00K C01Q H01Q 119.5 . . ?
C012 C01Q H01Q 119.5 . . ?
C01K C01R H01N 109.3 . . ?
C01K C01R H01O 109.3 . . ?
C01K C01R C01X 111.7(3) . . ?
H01N C01R H01O 107.9 . . ?
C01X C01R H01N 109.3 . . ?
C01X C01R H01O 109.3 . . ?
C01O C01S C02K 120.9(9) . . ?
C022 C01S C01O 109.6(11) . . ?
C022 C01S C02K 129.5(9) . . ?
F17 C3 C00U 115.0(18) . . ?
F19 C3 C00U 109.2(16) . . ?
F19 C3 F17 107.6(18) . . ?
F19 C3 F18 123(2) . . ?
F18 C3 C00U 109.1(16) . . ?
F18 C3 F17 92.1(14) . . ?
C01J C01U H01U 121.5 . . ?
C024 C01U C01J 116.9(5) . . ?
C024 C01U H01U 121.5 . . ?
N00P C01W C013 120.6(4) . . ?
N00P C01W H01W 119.7 . . ?
C013 C01W H01W 119.7 . . ?
C01R C01X H01R 109.0 . . ?
C01R C01X H01S 109.0 . . ?
H01R C01X H01S 107.8 . . ?
C01Z C01X C01R 112.9(3) . . ?
C01Z C01X H01R 109.0 . . ?
C01Z C01X H01S 109.0 . . ?
Rh01 C01Y H01Y 114.2 . . ?
C01B C01Y Rh01 70.5(2) . . ?
C01B C01Y H01Y 114.2 . . ?
C01B C01Y C025 125.2(4) . . ?
C025 C01Y Rh01 110.3(3) . . ?
C025 C01Y H01Y 114.2 . . ?
Rh02 C01Z H01Z 113.8 . . ?
C015 C01Z Rh02 71.5(2) . . ?
C015 C01Z C01X 126.4(4) . . ?
C015 C01Z H01Z 113.8 . . ?
C01X C01Z Rh02 109.4(2) . . ?
C01X C01Z H01Z 113.8 . . ?
C019 C020 H020 120.2 . . ?
C01G C020 C019 119.6(4) . . ?
C01G C020 H020 120.2 . . ?
C01D C021 H021 120.3 . . ?
C028 C021 C01D 119.4(4) . . ?
C028 C021 H021 120.3 . . ?
C01S C022 C02I 107.2(10) . . ?
C01S C022 C15 124.3(9) . . ?
C02I C022 C15 128.2(8) . . ?
C01E C024 H024 119.5 . . ?
C01U C024 C01E 120.9(5) . . ?
C01U C024 H024 119.5 . . ?
C01U C024 F02M 119.3(6) . . ?
F02M C024 C01E 119.4(7) . . ?
C01M C025 C01Y 114.2(4) . . ?
C01M C025 H02A 108.7 . . ?
C01M C025 H02B 108.7 . . ?
C01Y C025 H02A 108.7 . . ?
C01Y C025 H02B 108.7 . . ?
H02A C025 H02B 107.6 . . ?
F003 C026 C00W 113.3(4) . . ?
F003 C026 F24 104.5(4) . . ?
F003 C026 F26 104.5(4) . . ?
F24 C026 C00W 114.7(4) . . ?
F24 C026 F26 106.9(4) . . ?
F26 C026 C00W 112.0(4) . . ?
C01O C027 C02I 108.6(9) . . ?
C01O C027 C02P 130.0(8) . . ?
C02I C027 C02P 120.9(8) . . ?
C013 C028 C021 116.9(3) . . ?
C013 C028 H028 121.5 . . ?
C021 C028 H028 121.5 . . ?
Rh01 C029 H029 114.0 . . ?
C018 C029 Rh01 71.1(2) . . ?
C018 C029 H029 114.0 . . ?
C018 C029 C02J 125.6(4) . . ?
C02J C029 Rh01 109.8(3) . . ?
C02J C029 H029 114.0 . . ?
F00N C02A C00V 110.3(4) . . ?
C00V C02A F01V 100.9(6) . . ?
F23 C02A F00N 99.6(4) . . ?
F23 C02A C00V 112.8(4) . . ?
F23 C02A F01V 80.9(5) . . ?
F22 C02A F00N 102.9(5) . . ?
F22 C02A C00V 116.8(4) . . ?
F22 C02A F23 112.4(5) . . ?
F21 C02A C00V 123.6(8) . . ?
F21 C02A F01V 101.0(13) . . ?
F21 C02A F23 121.6(8) . . ?
C015 C02E C01L 113.2(3) . . ?
C015 C02E H02G 108.9 . . ?
C015 C02E H02H 108.9 . . ?
C01L C02E H02G 108.9 . . ?
C01L C02E H02H 108.9 . . ?
H02G C02E H02H 107.8 . . ?
F00O C02F C00Z 109.6(5) . . ?
F00X C02F F00O 100.9(5) . . ?
F00X C02F C00Z 113.3(5) . . ?
F00X C02F F28 112.8(5) . . ?
C00Z C02F F9 106.6(6) . . ?
F12 C02F C00Z 133.2(10) . . ?
F12 C02F F9 107.0(14) . . ?
F12 C02F F28 100.0(11) . . ?
F28 C02F F00O 106.7(5) . . ?
F28 C02F C00Z 112.5(4) . . ?
F28 C02F F9 88.5(6) . . ?
C010 C02G F15 111.0(5) . . ?
C010 C02G F13 110.5(7) . . ?
F011 C02G C010 108.1(5) . . ?
F011 C02G F023 94.8(5) . . ?
F023 C02G C010 107.9(4) . . ?
F02B C02G C010 118.2(5) . . ?
F02B C02G F011 110.1(6) . . ?
F02B C02G F023 115.1(6) . . ?
F13 C02G F15 95.4(8) . . ?
F16 C02G C010 134.0(7) . . ?
F16 C02G F15 101.1(10) . . ?
F16 C02G F13 97.9(11) . . ?
C01B C02H H02C 108.7 . . ?
C01B C02H H02D 108.7 . . ?
H02C C02H H02D 107.6 . . ?
C02J C02H C01B 114.2(4) . . ?
C02J C02H H02C 108.7 . . ?
C02J C02H H02D 108.7 . . ?
C022 C02I C027 108.0(8) . . ?
C022 C02I C02O 122.9(8) . . ?
C027 C02I C02O 128.6(8) . . ?
C029 C02J H02E 108.7 . . ?
C029 C02J H02F 108.7 . . ?
C02H C02J C029 114.4(4) . . ?
C02H C02J H02E 108.7 . . ?
C02H C02J H02F 108.7 . . ?
H02E C02J H02F 107.6 . . ?
F006 C02K C01S 113.8(7) . . ?
F00C C02K F006 110.3(7) . . ?
F00C C02K F01N 101.4(7) . . ?
F00C C02K C01S 112.8(7) . . ?
F01N C02K F006 104.8(7) . . ?
F01N C02K C01S 112.8(8) . . ?
F004 C02L C01O 113.0(6) . . ?
F005 C02L F004 108.4(6) . . ?
F005 C02L F3 104.5(7) . . ?
F005 C02L C01O 112.9(7) . . ?
F3 C02L F004 103.2(7) . . ?
F3 C02L C01O 114.0(7) . . ?
F007 C02O C02I 113.8(7) . . ?
F007 C02O F7 101.0(7) . . ?
F016 C02O F007 109.4(7) . . ?
F016 C02O C02I 113.0(7) . . ?
F016 C02O F7 109.1(7) . . ?
F7 C02O C02I 109.8(7) . . ?
F008 C02P F009 107.1(5) . . ?
F008 C02P C027 115.1(6) . . ?
F009 C02P C027 110.7(6) . . ?
F00S C02P F008 102.5(7) . . ?
F00S C02P F009 108.1(7) . . ?
F00S C02P C027 112.9(6) . . ?
F00G C4 F8 111.5(8) . . ?
F00G C4 F4 111.8(10) . . ?
F00G C4 C26 115.3(8) . . ?
F8 C4 F4 92.7(8) . . ?
F8 C4 C26 111.1(10) . . ?
F4 C4 C26 112.2(9) . . ?
F008 C7 F009 106.8(8) . . ?
F008 C7 F6 104.3(9) . . ?
F008 C7 C1 115.5(8) . . ?
F009 C7 C1 111.5(9) . . ?
F6 C7 F009 106.2(8) . . ?
F6 C7 C1 111.8(9) . . ?
F007 C10 C14 114.0(8) . . ?
F007 C10 F10 104.1(9) . . ?
F14 C10 F007 104.3(8) . . ?
F14 C10 C14 113.4(10) . . ?
F14 C10 F10 110.2(9) . . ?
F10 C10 C14 110.2(8) . . ?
F004 C13 F005 105.6(6) . . ?
F004 C13 F5 104.2(6) . . ?
F004 C13 C2 118.0(7) . . ?
F005 C13 F5 102.7(6) . . ?
F005 C13 C2 113.8(6) . . ?
F5 C13 C2 111.0(7) . . ?
F00G C15 C022 112.7(7) . . ?
F8 C15 F00G 107.1(7) . . ?
F8 C15 C022 117.7(7) . . ?
F8 C15 F2 92.3(7) . . ?
F2 C15 F00G 112.4(7) . . ?
F2 C15 C022 113.0(8) . . ?
F006 C16 F1 105.5(9) . . ?
F006 C16 C34 113.3(9) . . ?
F00C C16 F006 116.7(10) . . ?
F00C C16 F1 98.2(8) . . ?
F00C C16 C34 114.1(9) . . ?
F1 C16 C34 107.0(9) . . ?
C14 C1 C7 122.5(8) . . ?
C2 C1 C7 129.8(9) . . ?
C2 C1 C14 107.6(9) . . ?
C1 C14 C10 125.9(9) . . ?
C1 C14 C26 107.2(8) . . ?
C26 C14 C10 126.9(9) . . ?
C1 C2 C13 120.5(8) . . ?
C1 C2 C34 109.9(11) . . ?
C34 C2 C13 129.3(9) . . ?
C14 C26 C4 125.5(9) . . ?
C34 C26 C4 125.7(9) . . ?
C34 C26 C14 108.7(10) . . ?
C2 C34 C16 125.6(9) . . ?
C26 C34 C16 127.5(10) . . ?
C26 C34 C2 106.5(11) . . ?
F00R C21 C00U 113.9(7) . . ?
F01F C21 F00R 106.0(8) . . ?
F01F C21 C00U 115.6(5) . . ?
F18 C21 F00R 104.2(6) . . ?
F18 C21 C00U 116.8(8) . . ?
F18 C21 F01F 98.5(8) . . ?
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
Rh01 N00F 2.110(3) . ?
Rh01 N00K 2.116(3) . ?
Rh01 C018 2.131(4) . ?
Rh01 C01B 2.126(4) . ?
Rh01 C01Y 2.137(4) . ?
Rh01 C029 2.127(4) . ?
Rh02 N00I 2.113(3) . ?
Rh02 N00P 2.105(3) . ?
Rh02 C015 2.142(4) . ?
Rh02 C01K 2.132(4) . ?
Rh02 C01P 2.132(4) . ?
Rh02 C01Z 2.131(3) . ?
F003 C026 1.334(5) . ?
F004 C02L 1.360(8) . ?
F004 C13 1.257(8) . ?
F005 C02L 1.280(8) . ?
F005 C13 1.427(8) . ?
F006 C02K 1.331(9) . ?
F006 C16 1.271(10) . ?
F007 C02O 1.316(8) . ?
F007 C10 1.396(12) . ?
F008 C02P 1.340(7) . ?
F008 C7 1.280(11) . ?
F009 C02P 1.344(7) . ?
F009 C7 1.408(11) . ?
F00A C013 1.348(5) . ?
F00C C02K 1.287(9) . ?
F00C C16 1.253(11) . ?
F00E C012 1.329(5) . ?
N00F C00Q 1.339(5) . ?
N00F C01C 1.343(5) . ?
F00G C4 1.255(10) . ?
F00G C15 1.394(10) . ?
N00I C017 1.344(5) . ?
N00I C01E 1.331(6) . ?
N00K C019 1.341(5) . ?
N00K C01Q 1.333(5) . ?
F00L C00Y 1.368(5) . ?
F00N C02A 1.421(7) . ?
F00O C02F 1.401(9) . ?
N00P C01D 1.339(5) . ?
N00P C01W 1.341(5) . ?
C00Q H00Q 0.9500 . ?
C00Q C01I 1.380(6) . ?
F00R C21 1.388(9) . ?
F00S C02P 1.272(11) . ?
C00U C00V 1.396(6) . ?
C00U C010 1.407(6) . ?
C00U C3 1.61(2) . ?
C00U C21 1.450(12) . ?
C00V C00W 1.392(6) . ?
C00V C02A 1.492(6) . ?
C00W C00Z 1.405(6) . ?
C00W C026 1.493(6) . ?
F00X C02F 1.316(8) . ?
C00Y H00Y 0.9500 . ?
C00Y C01A 1.359(6) . ?
C00Y C01C 1.367(6) . ?
C00Z C010 1.415(5) . ?
C00Z C02F 1.476(6) . ?
C010 C02G 1.473(6) . ?
F011 C02G 1.383(7) . ?
C012 C01G 1.368(6) . ?
C012 C01Q 1.372(5) . ?
C013 C01W 1.374(5) . ?
C013 C028 1.374(6) . ?
F8 C4 1.324(13) . ?
F8 C15 1.255(10) . ?
C015 H015 1.0000 . ?
C015 C01Z 1.387(6) . ?
C015 C02E 1.527(6) . ?
F016 C02O 1.274(12) . ?
C017 H017 0.9500 . ?
C017 C01J 1.376(7) . ?
C018 H018 1.0000 . ?
C018 C01M 1.521(6) . ?
C018 C029 1.389(6) . ?
C019 H019 0.9500 . ?
C019 C020 1.387(5) . ?
C01A H01A 0.9500 . ?
C01A C01I 1.374(6) . ?
C01B H01B 1.0000 . ?
C01B C01Y 1.389(6) . ?
C01B C02H 1.516(6) . ?
C01C H01C 0.9500 . ?
C01D H01F 0.9500 . ?
C01D C021 1.387(5) . ?
C01E H01H 0.9500 . ?
C01E C024 1.380(6) . ?
F01F C21 1.323(11) . ?
C01G H01G 0.9500 . ?
C01G C020 1.369(6) . ?
F3 C02L 1.312(10) . ?
C01I H01I 0.9500 . ?
C01I F02N 1.343(11) . ?
C01J H01J 0.9500 . ?
C01J C01U 1.358(8) . ?
C01J F02C 1.359(7) . ?
C01K H01K 1.0000 . ?
C01K C01P 1.384(5) . ?
C01K C01R 1.525(5) . ?
C01L H01L 0.9900 . ?
C01L H01M 0.9900 . ?
C01L C01P 1.516(5) . ?
C01L C02E 1.533(5) . ?
C01M H01D 0.9900 . ?
C01M H01E 0.9900 . ?
C01M C025 1.497(7) . ?
F01N C02K 1.317(10) . ?
C01O C01S 1.403(12) . ?
C01O C027 1.400(11) . ?
C01O C02L 1.476(13) . ?
C01P H01P 1.0000 . ?
C01Q H01Q 0.9500 . ?
C01R H01N 0.9900 . ?
C01R H01O 0.9900 . ?
C01R C01X 1.536(5) . ?
C01S C022 1.394(11) . ?
C01S C02K 1.517(15) . ?
C3 F17 1.34(2) . ?
C3 F19 1.24(3) . ?
C3 F18 1.28(3) . ?
C01U H01U 0.9500 . ?
C01U C024 1.351(8) . ?
F01V C02A 1.666(14) . ?
C01W H01W 0.9500 . ?
C01X H01R 0.9900 . ?
C01X H01S 0.9900 . ?
C01X C01Z 1.500(6) . ?
C01Y H01Y 1.0000 . ?
C01Y C025 1.506(6) . ?
C01Z H01Z 1.0000 . ?
C020 H020 0.9500 . ?
C021 H021 0.9500 . ?
C021 C028 1.375(6) . ?
C022 C02I 1.397(11) . ?
C022 C15 1.513(13) . ?
F023 C02G 1.404(7) . ?
C024 H024 0.9500 . ?
C024 F02M 1.377(10) . ?
C025 H02A 0.9900 . ?
C025 H02B 0.9900 . ?
C026 F24 1.338(5) . ?
C026 F26 1.348(6) . ?
C027 C02I 1.407(11) . ?
C027 C02P 1.489(12) . ?
C028 H028 0.9500 . ?
C029 H029 1.0000 . ?
C029 C02J 1.508(6) . ?
C02A F23 1.323(5) . ?
C02A F22 1.302(6) . ?
C02A F21 1.080(13) . ?
F02B C02G 1.204(7) . ?
C02E H02G 0.9900 . ?
C02E H02H 0.9900 . ?
C02F F9 1.502(16) . ?
C02F F12 1.17(2) . ?
C02F F28 1.347(5) . ?
C02G F15 1.489(9) . ?
C02G F13 1.480(14) . ?
C02G F16 1.218(12) . ?
C02H H02C 0.9900 . ?
C02H H02D 0.9900 . ?
C02H C02J 1.491(7) . ?
C02I C02O 1.522(11) . ?
C02J H02E 0.9900 . ?
C02J H02F 0.9900 . ?
C02O F7 1.451(12) . ?
C4 F4 1.333(14) . ?
C4 C26 1.488(14) . ?
F2 C15 1.299(12) . ?
C7 F6 1.389(13) . ?
C7 C1 1.506(14) . ?
C10 F14 1.350(14) . ?
C10 C14 1.478(14) . ?
C10 F10 1.440(15) . ?
C13 F5 1.447(11) . ?
C13 C2 1.478(14) . ?
C16 F1 1.447(16) . ?
C16 C34 1.464(16) . ?
C1 C14 1.415(11) . ?
C1 C2 1.385(11) . ?
C14 C26 1.424(11) . ?
C2 C34 1.414(13) . ?
C26 C34 1.402(11) . ?
F18 C21 1.320(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
Rh01 N00F C00Q C01I -172.1(3) . . . . ?
Rh01 N00F C01C C00Y 172.2(3) . . . . ?
Rh01 N00K C019 C020 175.2(3) . . . . ?
Rh01 N00K C01Q C012 -175.2(3) . . . . ?
Rh01 C018 C01M C025 9.5(5) . . . . ?
Rh01 C018 C029 C02J 101.2(4) . . . . ?
Rh01 C01B C01Y C025 101.6(4) . . . . ?
Rh01 C01B C02H C02J 6.7(5) . . . . ?
Rh01 C01Y C025 C01M 30.3(5) . . . . ?
Rh01 C029 C02J C02H 30.2(6) . . . . ?
Rh02 N00I C017 C01J 179.7(3) . . . . ?
Rh02 N00I C01E C024 -179.1(3) . . . . ?
Rh02 N00P C01D C021 179.2(3) . . . . ?
Rh02 N00P C01W C013 -179.0(3) . . . . ?
Rh02 C015 C01Z C01X -100.8(4) . . . . ?
Rh02 C015 C02E C01L -10.1(5) . . . . ?
Rh02 C01K C01P C01L -102.5(4) . . . . ?
Rh02 C01K C01R C01X -13.7(4) . . . . ?
F004 C13 C2 C1 96.4(10) . . . . ?
F004 C13 C2 C34 -89.5(12) . . . . ?
F005 C13 C2 C1 -139.0(8) . . . . ?
F005 C13 C2 C34 35.1(13) . . . . ?
F006 C16 C34 C2 -101.2(13) . . . . ?
F006 C16 C34 C26 87.0(13) . . . . ?
F007 C10 C14 C1 52.6(14) . . . . ?
F007 C10 C14 C26 -128.5(10) . . . . ?
F008 C7 C1 C14 -97.5(11) . . . . ?
F008 C7 C1 C2 82.5(13) . . . . ?
F009 C7 C1 C14 140.4(8) . . . . ?
F009 C7 C1 C2 -39.6(13) . . . . ?
F00A C013 C01W N00P 178.5(3) . . . . ?
F00A C013 C028 C021 -179.4(4) . . . . ?
F00C C16 C34 C2 122.0(12) . . . . ?
F00C C16 C34 C26 -49.8(15) . . . . ?
F00E C012 C01G C020 -178.9(4) . . . . ?
F00E C012 C01Q N00K 178.5(4) . . . . ?
N00F C00Q C01I C01A -0.1(6) . . . . ?
N00F C00Q C01I F02N 179.5(7) . . . . ?
F00G C4 C26 C14 -61.9(15) . . . . ?
F00G C4 C26 C34 121.1(11) . . . . ?
N00I C017 C01J C01U -0.3(7) . . . . ?
N00I C017 C01J F02C -174.9(4) . . . . ?
N00I C01E C024 C01U -0.8(7) . . . . ?
N00I C01E C024 F02M 172.6(6) . . . . ?
N00K C019 C020 C01G -0.2(6) . . . . ?
F00L C00Y C01A C01I 176.4(4) . . . . ?
F00L C00Y C01C N00F -175.9(4) . . . . ?
N00P C01D C021 C028 0.0(6) . . . . ?
C00Q N00F C01C C00Y -1.1(5) . . . . ?
C00U C00V C00W C00Z -2.7(4) . . . . ?
C00U C00V C00W C026 172.4(4) . . . . ?
C00U C00V C02A F00N 147.7(4) . . . . ?
C00U C00V C02A F01V -47.4(7) . . . . ?
C00U C00V C02A F23 37.3(6) . . . . ?
C00U C00V C02A F22 -95.2(6) . . . . ?
C00U C00V C02A F21 -158.6(15) . . . . ?
C00U C010 C02G F011 -115.0(5) . . . . ?
C00U C010 C02G F023 -13.6(7) . . . . ?
C00U C010 C02G F02B 119.1(7) . . . . ?
C00U C010 C02G F15 54.5(8) . . . . ?
C00U C010 C02G F13 159.1(8) . . . . ?
C00U C010 C02G F16 -76.5(15) . . . . ?
C00V C00U C010 C00Z -1.3(4) . . . . ?
C00V C00U C010 C02G 176.1(4) . . . . ?
C00V C00U C3 F17 -145.6(12) . . . . ?
C00V C00U C3 F19 -25(2) . . . . ?
C00V C00U C3 F18 112.7(15) . . . . ?
C00V C00U C21 F00R -102.9(6) . . . . ?
C00V C00U C21 F01F 20.2(10) . . . . ?
C00V C00U C21 F18 135.4(5) . . . . ?
C00V C00W C00Z C010 1.9(4) . . . . ?
C00V C00W C00Z C02F -175.3(4) . . . . ?
C00V C00W C026 F003 -152.9(4) . . . . ?
C00V C00W C026 F24 87.1(6) . . . . ?
C00V C00W C026 F26 -35.0(6) . . . . ?
C00W C00V C02A F00N -22.4(6) . . . . ?
C00W C00V C02A F01V 142.5(6) . . . . ?
C00W C00V C02A F23 -132.9(5) . . . . ?
C00W C00V C02A F22 94.7(6) . . . . ?
C00W C00V C02A F21 31.3(16) . . . . ?
C00W C00Z C010 C00U -0.4(4) . . . . ?
C00W C00Z C010 C02G -177.7(4) . . . . ?
C00W C00Z C02F F00O -77.9(6) . . . . ?
C00W C00Z C02F F00X 170.3(5) . . . . ?
C00W C00Z C02F F9 136.1(6) . . . . ?
C00W C00Z C02F F12 -90(2) . . . . ?
C00W C00Z C02F F28 40.7(6) . . . . ?
C00Y C01A C01I C00Q -0.2(6) . . . . ?
C00Y C01A C01I F02N -179.7(8) . . . . ?
C00Z C00W C026 F003 21.3(6) . . . . ?
C00Z C00W C026 F24 -98.6(5) . . . . ?
C00Z C00W C026 F26 139.3(4) . . . . ?
C00Z C010 C02G F011 61.8(6) . . . . ?
C00Z C010 C02G F023 163.3(4) . . . . ?
C00Z C010 C02G F02B -64.0(8) . . . . ?
C00Z C010 C02G F15 -128.6(6) . . . . ?
C00Z C010 C02G F13 -24.0(10) . . . . ?
C00Z C010 C02G F16 100.3(15) . . . . ?
C010 C00U C00V C00W 2.4(4) . . . . ?
C010 C00U C00V C02A -169.2(4) . . . . ?
C010 C00U C3 F17 29(2) . . . . ?
C010 C00U C3 F19 150.0(12) . . . . ?
C010 C00U C3 F18 -72.8(14) . . . . ?
C010 C00U C21 F00R 87.3(9) . . . . ?
C010 C00U C21 F01F -149.6(6) . . . . ?
C010 C00U C21 F18 -34.4(9) . . . . ?
C010 C00Z C02F F00O 105.5(5) . . . . ?
C010 C00Z C02F F00X -6.4(7) . . . . ?
C010 C00Z C02F F9 -40.5(7) . . . . ?
C010 C00Z C02F F12 94(2) . . . . ?
C010 C00Z C02F F28 -135.9(4) . . . . ?
C012 C01G C020 C019 0.5(6) . . . . ?
F8 C4 C26 C14 66.3(12) . . . . ?
F8 C4 C26 C34 -110.8(11) . . . . ?
C017 N00I C01E C024 0.2(6) . . . . ?
C017 C01J C01U C024 -0.2(7) . . . . ?
C018 C01M C025 C01Y -26.5(6) . . . . ?
C018 C029 C02J C02H -50.2(6) . . . . ?
C019 N00K C01Q C012 0.2(6) . . . . ?
C01A C00Y C01C N00F 0.8(6) . . . . ?
C01B C01Y C025 C01M -49.7(6) . . . . ?
C01B C02H C02J C029 -24.7(7) . . . . ?
C01C N00F C00Q C01I 0.7(5) . . . . ?
C01C C00Y C01A C01I -0.1(6) . . . . ?
C01D N00P C01W C013 1.1(6) . . . . ?
C01D C021 C028 C013 0.7(6) . . . . ?
C01E N00I C017 C01J 0.3(6) . . . . ?
C01G C012 C01Q N00K 0.0(7) . . . . ?
C01J C01U C024 C01E 0.7(7) . . . . ?
C01J C01U C024 F02M -172.6(6) . . . . ?
C01K C01R C01X C01Z 33.6(5) . . . . ?
C01M C018 C029 Rh01 -104.9(4) . . . . ?
C01M C018 C029 C02J -3.7(6) . . . . ?
C01O C01S C022 C02I -0.3(10) . . . . ?
C01O C01S C022 C15 173.9(9) . . . . ?
C01O C01S C02K F006 -50.1(12) . . . . ?
C01O C01S C02K F00C 76.5(12) . . . . ?
C01O C01S C02K F01N -169.3(9) . . . . ?
C01O C027 C02I C022 -3.3(9) . . . . ?
C01O C027 C02I C02O 168.6(8) . . . . ?
C01O C027 C02P F008 138.4(9) . . . . ?
C01O C027 C02P F009 -100.0(10) . . . . ?
C01O C027 C02P F00S 21.2(13) . . . . ?
C01P C01K C01R C01X -95.1(4) . . . . ?
C01P C01L C02E C015 27.6(5) . . . . ?
C01Q N00K C019 C020 -0.2(5) . . . . ?
C01Q C012 C01G C020 -0.4(6) . . . . ?
C01R C01K C01P Rh02 105.0(3) . . . . ?
C01R C01K C01P C01L 2.5(6) . . . . ?
C01R C01X C01Z Rh02 -36.8(4) . . . . ?
C01R C01X C01Z C015 44.0(5) . . . . ?
C01S C01O C027 C02I 3.1(10) . . . . ?
C01S C01O C027 C02P -168.5(9) . . . . ?
C01S C01O C02L F004 -140.7(10) . . . . ?
C01S C01O C02L F005 95.8(12) . . . . ?
C01S C01O C02L F3 -23.3(15) . . . . ?
C01S C022 C02I C027 2.2(10) . . . . ?
C01S C022 C02I C02O -170.3(8) . . . . ?
C01S C022 C15 F00G 68.6(11) . . . . ?
C01S C022 C15 F8 -56.8(13) . . . . ?
C01S C022 C15 F2 -162.6(9) . . . . ?
C3 C00U C00V C00W 177.3(12) . . . . ?
C3 C00U C00V C02A 5.7(13) . . . . ?
C3 C00U C010 C00Z -177.0(10) . . . . ?
C3 C00U C010 C02G 0.3(11) . . . . ?
C01W N00P C01D C021 -0.9(6) . . . . ?
C01W C013 C028 C021 -0.5(6) . . . . ?
C01Y C01B C02H C02J 88.6(6) . . . . ?
C01Z C015 C02E C01L -91.3(5) . . . . ?
C022 C01S C02K F006 130.5(10) . . . . ?
C022 C01S C02K F00C -102.9(11) . . . . ?
C022 C01S C02K F01N 11.3(14) . . . . ?
C022 C02I C02O F007 -78.9(10) . . . . ?
C022 C02I C02O F016 155.5(8) . . . . ?
C022 C02I C02O F7 33.5(11) . . . . ?
C026 C00W C00Z C010 -173.1(4) . . . . ?
C026 C00W C00Z C02F 9.7(6) . . . . ?
C027 C01O C01S C022 -1.7(11) . . . . ?
C027 C01O C01S C02K 178.7(8) . . . . ?
C027 C01O C02L F004 36.0(11) . . . . ?
C027 C01O C02L F005 -87.5(10) . . . . ?
C027 C01O C02L F3 153.4(9) . . . . ?
C027 C02I C02O F007 110.3(10) . . . . ?
C027 C02I C02O F016 -15.2(12) . . . . ?
C027 C02I C02O F7 -137.3(9) . . . . ?
C028 C013 C01W N00P -0.5(6) . . . . ?
C029 C018 C01M C025 90.6(5) . . . . ?
C02A C00V C00W C00Z 169.0(4) . . . . ?
C02A C00V C00W C026 -15.9(6) . . . . ?
F02C C01J C01U C024 174.0(5) . . . . ?
C02E C015 C01Z Rh02 104.7(3) . . . . ?
C02E C015 C01Z C01X 3.9(6) . . . . ?
C02E C01L C01P Rh02 -31.7(4) . . . . ?
C02E C01L C01P C01K 49.0(5) . . . . ?
C02F C00Z C010 C00U 176.7(4) . . . . ?
C02F C00Z C010 C02G -0.6(7) . . . . ?
C02H C01B C01Y Rh01 -104.5(4) . . . . ?
C02H C01B C01Y C025 -2.8(7) . . . . ?
C02I C022 C15 F00G -118.4(10) . . . . ?
C02I C022 C15 F8 116.1(11) . . . . ?
C02I C022 C15 F2 10.3(13) . . . . ?
C02I C027 C02P F008 -32.3(10) . . . . ?
C02I C027 C02P F009 89.3(9) . . . . ?
C02I C027 C02P F00S -149.4(8) . . . . ?
C02K C01S C022 C02I 179.2(9) . . . . ?
C02K C01S C022 C15 -6.6(16) . . . . ?
C02L C01O C01S C022 175.3(10) . . . . ?
C02L C01O C01S C02K -4.2(17) . . . . ?
C02L C01O C027 C02I -174.4(8) . . . . ?
C02L C01O C027 C02P 14.1(14) . . . . ?
C02P C027 C02I C022 169.2(8) . . . . ?
C02P C027 C02I C02O -19.0(13) . . . . ?
C4 C26 C34 C16 -11.0(16) . . . . ?
C4 C26 C34 C2 175.9(10) . . . . ?
C7 C1 C14 C10 -0.6(14) . . . . ?
C7 C1 C14 C26 -179.7(8) . . . . ?
C7 C1 C2 C13 -6.1(15) . . . . ?
C7 C1 C2 C34 178.7(10) . . . . ?
C10 C14 C26 C4 4.3(15) . . . . ?
C10 C14 C26 C34 -178.2(10) . . . . ?
C13 C2 C34 C16 13.9(17) . . . . ?
C13 C2 C34 C26 -172.8(9) . . . . ?
C15 C022 C02I C027 -171.7(9) . . . . ?
C15 C022 C02I C02O 15.9(14) . . . . ?
F5 C13 C2 C1 -23.7(11) . . . . ?
F5 C13 C2 C34 150.4(10) . . . . ?
F1 C16 C34 C2 14.6(14) . . . . ?
F1 C16 C34 C26 -157.2(10) . . . . ?
F4 C4 C26 C14 168.6(9) . . . . ?
F4 C4 C26 C34 -8.5(16) . . . . ?
F6 C7 C1 C14 21.6(13) . . . . ?
F6 C7 C1 C2 -158.4(9) . . . . ?
F14 C10 C14 C1 -66.6(13) . . . . ?
F14 C10 C14 C26 112.3(12) . . . . ?
C1 C14 C26 C4 -176.7(9) . . . . ?
C1 C14 C26 C34 0.8(10) . . . . ?
C1 C2 C34 C16 -171.5(9) . . . . ?
C1 C2 C34 C26 1.8(11) . . . . ?
C14 C1 C2 C13 173.9(8) . . . . ?
C14 C1 C2 C34 -1.3(10) . . . . ?
C14 C26 C34 C16 171.5(10) . . . . ?
C14 C26 C34 C2 -1.6(10) . . . . ?
C2 C1 C14 C10 179.3(9) . . . . ?
C2 C1 C14 C26 0.3(9) . . . . ?
C21 C00U C00V C00W -169.5(5) . . . . ?
C21 C00U C00V C02A 18.9(7) . . . . ?
C21 C00U C010 C00Z 169.4(6) . . . . ?
C21 C00U C010 C02G -13.3(8) . . . . ?
F10 C10 C14 C1 169.3(8) . . . . ?
F10 C10 C14 C26 -11.8(14) . . . . ?
