#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/61/7036127.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_7036127
loop_
_publ_author_name
'Drover, Marcus W.'
'Schafer, Laurel L.'
'Love, Jennifer A.'
_publ_section_title
;
 Isocyanate deinsertion from κ(1)-O amidates: facile access to
 perfluoroaryl rhodium(i) complexes.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19487
_journal_page_last               19493
_journal_paper_doi               10.1039/c5dt01981h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C44 H58 F5 N O P Rh, 0.25(C6 H14)'
_chemical_formula_sum            'C45.5 H61.5 F5 N O P Rh'
_chemical_formula_weight         867.33
_chemical_name_systematic
'bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}tricyclohexylphosphine rhodium(I)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-05-26
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-05-26 deposited with the CCDC.
2015-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                102.878(3)
_cell_angle_beta                 99.532(3)
_cell_angle_gamma                90.372(3)
_cell_formula_units_Z            4
_cell_length_a                   9.9058(8)
_cell_length_b                   21.0289(17)
_cell_length_c                   21.6355(16)
_cell_measurement_temperature    90
_cell_volume                     4328.4(6)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      90
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker Apex-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0779
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15659
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.401
_diffrn_reflns_theta_max         25.401
_diffrn_reflns_theta_min         1.227
_exptl_absorpt_coefficient_mu    0.487
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0813 before and 0.0672 after correction.
 The Ratio of minimum to maximum transmission is 0.77.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 155808 reflections, Rint = 0.1134
 (42370 with I > 3sig(I), Rint = 0.0704)
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_description       cube
_exptl_crystal_F_000             1818
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.140
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         15659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0798P)²+1.5366P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1349
_refine_ls_wR_factor_ref         0.1457
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11473
_reflns_number_total             15659
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01981h2.cif
_cod_data_source_block           ls591t4_a_sq_s
_cod_depositor_comments
'Adding full bibliography for 7036126--7036129.cif.'
_cod_original_formula_sum        'C45.50 H61.50 F5 N O P Rh'
_cod_database_code               7036127
#BEGIN Tags that were not found in dictionaries:
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C66(H66), C71(H71), C72(H72), C84(H84), C68(H68), C65(H65), C78(H78),
 C59(H59), C67(H67), C70(H70), C20(H20), C17(H17), C25(H25), C62(H62), C14(H14),
  C39(H39), C40(H40), C23(H23), C21(H21), C26(H26), C27(H27), C22(H22)
2.b Secondary CH2 refined with riding coordinates:
 C89(H89A,H89B), C85(H85A,H85B), C87(H87A,H87B), C83(H83A,H83B), C88(H88A,
 H88B), C73(H73A,H73B), C79(H79A,H79B), C38(H38A,H38B), C37(H37A,H37B),
 C34(H34A,H34B), C32(H32A,H32B), C80(H80A,H80B), C76(H76A,H76B), C82(H82A,H82B),
  C45(H45A,H45B), C69(H69A,H69B), C86(H86A,H86B), C77(H77A,H77B), C75(H75A,
 H75B), C74(H74A,H74B), C81(H81A,H81B), C36(H36A,H36B), C41(H41A,H41B),
 C42(H42A,H42B), C43(H43A,H43B), C30(H30A,H30B), C31(H31A,H31B), C28(H28A,H28B),
  C24(H24A,H24B), C44(H44A,H44B), C35(H35A,H35B), C29(H29A,H29B), C02Z(H02A,
 H02B), C030(H03A,H03B)
2.c Aromatic/amide H refined with riding coordinates:
 C57(H57), C55(H55), C12(H12), C56(H56), C10(H10), C11(H11)
2.d Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C60(H60A,H60B,H60C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C19(H19A,H19B,H19C), C64(H64A,H64B,H64C), C63(H63A,H63B,H63C), C18(H18A,
 H18B,H18C), C031(H03C,H03D,H03E)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
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
Rh2 Rh 0.03057(3) 0.60427(2) 0.63587(2) 0.01170(10) Uani 1 1 d .
Rh1 Rh 0.41290(4) 0.20613(2) 0.91327(2) 0.01860(11) Uani 1 1 d .
P2 P -0.03528(11) 0.70450(5) 0.61433(5) 0.0118(2) Uani 1 1 d .
P1 P 0.28655(12) 0.29606(6) 0.90094(5) 0.0183(3) Uani 1 1 d .
F10 F -0.3673(2) 0.53163(12) 0.63338(12) 0.0229(6) Uani 1 1 d .
F6 F -0.0054(3) 0.47352(12) 0.77945(12) 0.0257(6) Uani 1 1 d .
F9 F -0.4472(3) 0.40513(12) 0.58996(13) 0.0282(6) Uani 1 1 d .
F5 F 0.2597(3) 0.20906(12) 0.69304(12) 0.0245(6) Uani 1 1 d .
F8 F -0.3114(3) 0.31273(12) 0.64163(13) 0.0288(7) Uani 1 1 d .
F7 F -0.0879(3) 0.34797(12) 0.73570(13) 0.0312(7) Uani 1 1 d .
F4 F 0.3355(3) 0.23798(13) 0.58887(12) 0.0302(7) Uani 1 1 d .
O2 O -0.1131(3) 0.61513(13) 0.69775(13) 0.0153(6) Uani 1 1 d .
F1 F 0.6585(3) 0.08889(13) 0.72152(13) 0.0275(6) Uani 1 1 d .
F3 F 0.5702(3) 0.19304(13) 0.54944(12) 0.0315(7) Uani 1 1 d .
F2 F 0.7319(3) 0.11887(14) 0.61726(13) 0.0334(7) Uani 1 1 d .
O1 O 0.4206(3) 0.18950(14) 0.81565(14) 0.0202(7) Uani 1 1 d .
N2 N -0.1530(4) 0.59582(17) 0.79544(16) 0.0159(8) Uani 1 1 d .
N1 N 0.3807(4) 0.07887(17) 0.78016(16) 0.0188(8) Uani 1 1 d .
C52 C -0.2936(4) 0.4875(2) 0.6587(2) 0.0150(9) Uani 1 1 d .
C89 C -0.2863(4) 0.7682(2) 0.5860(2) 0.0155(9) Uani 1 1 d .
H89A H -0.2405 0.8078 0.6162 0.019 Uiso 1 1 calc R
H89B H -0.2710 0.7694 0.5422 0.019 Uiso 1 1 calc R
C46 C -0.1438(4) 0.5793(2) 0.7354(2) 0.0151(9) Uani 1 1 d .
C66 C 0.1468(4) 0.5752(2) 0.5618(2) 0.0166(10) Uani 1 1 d .
H66 H 0.1379 0.5947 0.5233 0.020 Uiso 1 1 calc R
C71 C 0.0621(4) 0.4980(2) 0.6105(2) 0.0159(9) Uani 1 1 d .
H71 H -0.0124 0.4640 0.6056 0.019 Uiso 1 1 calc R
C47 C -0.1818(4) 0.5074(2) 0.70709(19) 0.0141(9) Uani 1 1 d .
C51 C -0.3376(4) 0.4226(2) 0.6363(2) 0.0182(10) Uani 1 1 d .
C58 C -0.2242(4) 0.7086(2) 0.8266(2) 0.0174(10) Uani 1 1 d .
C72 C 0.0291(4) 0.7771(2) 0.67821(19) 0.0146(9) Uani 1 1 d .
H72 H 0.0068 0.8163 0.6601 0.017 Uiso 1 1 calc R
C84 C -0.2229(4) 0.7072(2) 0.60476(19) 0.0118(9) Uani 1 1 d .
H84 H -0.2442 0.7087 0.6486 0.014 Uiso 1 1 calc R
C68 C 0.1437(4) 0.5020(2) 0.5573(2) 0.0156(9) Uani 1 1 d .
H68 H 0.1109 0.4730 0.5139 0.019 Uiso 1 1 calc R
C85 C -0.2991(4) 0.6447(2) 0.5618(2) 0.0149(9) Uani 1 1 d .
H85A H -0.2875 0.6414 0.5166 0.018 Uiso 1 1 calc R
H85B H -0.2593 0.6061 0.5756 0.018 Uiso 1 1 calc R
C87 C -0.5159(4) 0.7058(2) 0.5468(2) 0.0200(10) Uani 1 1 d .
H87A H -0.5130 0.7035 0.5008 0.024 Uiso 1 1 calc R
H87B H -0.6131 0.7064 0.5524 0.024 Uiso 1 1 calc R
C3 C 0.5745(5) 0.1250(2) 0.6895(2) 0.0202(10) Uani 1 1 d .
C83 C 0.0387(5) 0.7939(2) 0.5382(2) 0.0186(10) Uani 1 1 d .
H83A H -0.0534 0.8120 0.5332 0.022 Uiso 1 1 calc R
H83B H 0.0939 0.8196 0.5785 0.022 Uiso 1 1 calc R
C54 C -0.0035(5) 0.6754(2) 0.8773(2) 0.0221(11) Uani 1 1 d .
C7 C 0.3770(5) 0.1847(2) 0.6755(2) 0.0209(10) Uani 1 1 d .
C49 C -0.1570(5) 0.3930(2) 0.7104(2) 0.0204(10) Uani 1 1 d .
C65 C 0.2329(4) 0.6034(2) 0.6209(2) 0.0195(10) Uani 1 1 d .
H65 H 0.2909 0.6442 0.6274 0.023 Uiso 1 1 calc R
C50 C -0.2678(5) 0.3753(2) 0.6627(2) 0.0197(10) Uani 1 1 d .
C88 C -0.4404(4) 0.7684(2) 0.5876(2) 0.0178(10) Uani 1 1 d .
H88A H -0.4548 0.7737 0.6326 0.021 Uiso 1 1 calc R
H88B H -0.4794 0.8061 0.5717 0.021 Uiso 1 1 calc R
C2 C 0.4539(4) 0.1471(2) 0.7107(2) 0.0176(10) Uani 1 1 d .
C78 C 0.0255(4) 0.7225(2) 0.5427(2) 0.0144(9) Uani 1 1 d .
H78 H 0.1209 0.7067 0.5450 0.017 Uiso 1 1 calc R
C5 C 0.5321(5) 0.1778(2) 0.6016(2) 0.0222(11) Uani 1 1 d .
C6 C 0.4139(5) 0.2005(2) 0.6218(2) 0.0207(10) Uani 1 1 d .
C73 C 0.1865(4) 0.7773(2) 0.6960(2) 0.0195(10) Uani 1 1 d .
H73A H 0.2125 0.7387 0.7136 0.023 Uiso 1 1 calc R
H73B H 0.2276 0.7743 0.6568 0.023 Uiso 1 1 calc R
C53 C -0.1253(4) 0.6610(2) 0.8314(2) 0.0177(10) Uani 1 1 d .
C79 C -0.0544(4) 0.6817(2) 0.47891(19) 0.0157(9) Uani 1 1 d .
H79A H -0.0604 0.6354 0.4816 0.019 Uiso 1 1 calc R
H79B H -0.1488 0.6970 0.4719 0.019 Uiso 1 1 calc R
C48 C -0.1150(5) 0.4590(2) 0.7320(2) 0.0197(10) Uani 1 1 d .
C38 C 0.4228(4) 0.4017(2) 0.9951(2) 0.0204(10) Uani 1 1 d .
H38A H 0.4300 0.4283 0.9633 0.025 Uiso 1 1 calc R
H38B H 0.5002 0.3721 0.9950 0.025 Uiso 1 1 calc R
C59 C -0.3560(4) 0.6909(2) 0.7788(2) 0.0210(10) Uani 1 1 d .
H59 H -0.3318 0.6659 0.7374 0.025 Uiso 1 1 calc R
C8 C 0.3706(5) 0.0237(2) 0.7278(2) 0.0184(10) Uani 1 1 d .
C37 C 0.4329(5) 0.4465(2) 1.0619(2) 0.0263(11) Uani 1 1 d .
H37A H 0.4357 0.4199 1.0944 0.032 Uiso 1 1 calc R
H37B H 0.5188 0.4740 1.0721 0.032 Uiso 1 1 calc R
C67 C 0.2808(5) 0.5461(2) 0.6510(2) 0.0202(10) Uani 1 1 d .
H67 H 0.3628 0.5543 0.6860 0.024 Uiso 1 1 calc R
C70 C 0.1440(4) 0.5247(2) 0.6679(2) 0.0187(10) Uani 1 1 d .
H70 H 0.1369 0.5117 0.7090 0.022 Uiso 1 1 calc R
C61 C -0.4344(5) 0.7500(2) 0.7648(2) 0.0295(12) Uani 1 1 d .
H61A H -0.4673 0.7732 0.8036 0.044 Uiso 1 1 calc GR
H61B H -0.5126 0.7353 0.7301 0.044 Uiso 1 1 calc GR
H61C H -0.3733 0.7795 0.7516 0.044 Uiso 1 1 calc GR
C4 C 0.6141(5) 0.1407(2) 0.6357(2) 0.0232(11) Uani 1 1 d .
C1 C 0.4160(4) 0.1351(2) 0.7733(2) 0.0188(10) Uani 1 1 d .
C34 C 0.1690(5) 0.4072(2) 0.9761(2) 0.0255(11) Uani 1 1 d .
H34A H 0.0809 0.3813 0.9635 0.031 Uiso 1 1 calc R
H34B H 0.1734 0.4345 0.9446 0.031 Uiso 1 1 calc R
C57 C -0.1973(5) 0.7695(2) 0.8676(2) 0.0231(11) Uani 1 1 d .
H57 H -0.2625 0.8022 0.8650 0.028 Uiso 1 1 calc R
C32 C 0.0709(5) 0.2263(2) 0.8069(2) 0.0244(11) Uani 1 1 d .
H32A H 0.1199 0.1857 0.8084 0.029 Uiso 1 1 calc R
H32B H 0.1041 0.2463 0.7746 0.029 Uiso 1 1 calc R
C80 C 0.0142(5) 0.6869(2) 0.4225(2) 0.0224(11) Uani 1 1 d .
H80A H -0.0417 0.6616 0.3821 0.027 Uiso 1 1 calc R
H80B H 0.1052 0.6676 0.4274 0.027 Uiso 1 1 calc R
C76 C 0.0215(5) 0.8482(2) 0.7871(2) 0.0237(11) Uani 1 1 d .
H76A H -0.0035 0.8859 0.7677 0.028 Uiso 1 1 calc R
H76B H -0.0199 0.8533 0.8264 0.028 Uiso 1 1 calc R
C13 C 0.4740(5) -0.0227(2) 0.7281(2) 0.0192(10) Uani 1 1 d .
C20 C 0.4426(5) 0.1085(2) 0.9344(2) 0.0264(11) Uani 1 1 d .
H20 H 0.4110 0.0668 0.9025 0.032 Uiso 1 1 calc R
C17 C 0.1329(5) 0.0568(2) 0.6823(2) 0.0244(11) Uani 1 1 d .
H17 H 0.1657 0.0990 0.7132 0.029 Uiso 1 1 calc R
C25 C 0.3706(5) 0.2009(2) 1.0040(2) 0.0241(11) Uani 1 1 d .
H25 H 0.2929 0.2234 1.0226 0.029 Uiso 1 1 calc R
C82 C 0.1062(5) 0.7994(2) 0.4817(2) 0.0220(11) Uani 1 1 d .
H82A H 0.2018 0.7858 0.4894 0.026 Uiso 1 1 calc R
H82B H 0.1092 0.8457 0.4787 0.026 Uiso 1 1 calc R
C62 C 0.1025(5) 0.6239(2) 0.8806(2) 0.0249(11) Uani 1 1 d .
H62 H 0.0533 0.5803 0.8637 0.030 Uiso 1 1 calc R
C45 C 0.2602(5) 0.3883(2) 0.8193(2) 0.0268(11) Uani 1 1 d .
H45A H 0.2851 0.4276 0.8546 0.032 Uiso 1 1 calc R
H45B H 0.1604 0.3788 0.8139 0.032 Uiso 1 1 calc R
C14 C 0.5892(5) -0.0153(2) 0.7849(2) 0.0229(10) Uani 1 1 d .
H14 H 0.6076 0.0325 0.8040 0.028 Uiso 1 1 calc R
C69 C 0.2888(4) 0.4925(2) 0.5907(2) 0.0206(10) Uani 1 1 d .
H69A H 0.3607 0.5023 0.5670 0.025 Uiso 1 1 calc R
H69B H 0.2997 0.4486 0.6000 0.025 Uiso 1 1 calc R
C55 C 0.0181(5) 0.7375(2) 0.9168(2) 0.0249(11) Uani 1 1 d .
H55 H 0.0999 0.7482 0.9475 0.030 Uiso 1 1 calc R
C12 C 0.4624(5) -0.0763(2) 0.6760(2) 0.0243(11) Uani 1 1 d .
H12 H 0.5322 -0.1071 0.6745 0.029 Uiso 1 1 calc R
C39 C 0.2882(5) 0.3612(2) 0.9755(2) 0.0210(10) Uani 1 1 d .
H39 H 0.2831 0.3379 1.0107 0.025 Uiso 1 1 calc R
C86 C -0.4511(4) 0.6456(2) 0.5660(2) 0.0180(10) Uani 1 1 d .
H86A H -0.4628 0.6457 0.6106 0.022 Uiso 1 1 calc R
H86B H -0.4987 0.6057 0.5372 0.022 Uiso 1 1 calc R
C56 C -0.0784(5) 0.7840(2) 0.9119(2) 0.0305(12) Uani 1 1 d .
H56 H -0.0625 0.8264 0.9394 0.037 Uiso 1 1 calc R
C40 C 0.3384(5) 0.3303(2) 0.8361(2) 0.0205(10) Uani 1 1 d .
H40 H 0.3156 0.2945 0.7965 0.025 Uiso 1 1 calc R
C60 C -0.4512(5) 0.6463(2) 0.8016(2) 0.0272(11) Uani 1 1 d .
H60A H -0.4065 0.6054 0.8048 0.041 Uiso 1 1 calc GR
H60B H -0.5371 0.6367 0.7707 0.041 Uiso 1 1 calc GR
H60C H -0.4708 0.6683 0.8439 0.041 Uiso 1 1 calc GR
C77 C -0.0357(5) 0.7853(2) 0.7396(2) 0.0207(10) Uani 1 1 d .
H77A H -0.1365 0.7867 0.7283 0.025 Uiso 1 1 calc R
H77B H -0.0148 0.7476 0.7595 0.025 Uiso 1 1 calc R
C10 C 0.2468(5) -0.0425(2) 0.6278(2) 0.0256(11) Uani 1 1 d .
H10 H 0.1693 -0.0503 0.5943 0.031 Uiso 1 1 calc R
C23 C 0.3969(5) 0.1285(2) 1.0008(2) 0.0291(12) Uani 1 1 d .
H23 H 0.3213 0.1012 1.0086 0.035 Uiso 1 1 calc R
C9 C 0.2533(5) 0.0133(2) 0.6786(2) 0.0205(10) Uani 1 1 d .
C75 C 0.1766(5) 0.8483(2) 0.8051(2) 0.0291(12) Uani 1 1 d .
H75A H 0.2107 0.8900 0.8354 0.035 Uiso 1 1 calc R
H75B H 0.2016 0.8124 0.8271 0.035 Uiso 1 1 calc R
C74 C 0.2433(5) 0.8397(2) 0.7460(2) 0.0240(11) Uani 1 1 d .
H74A H 0.3435 0.8373 0.7586 0.029 Uiso 1 1 calc R
H74B H 0.2264 0.8780 0.7267 0.029 Uiso 1 1 calc R
C81 C 0.0314(5) 0.7578(2) 0.4178(2) 0.0250(11) Uani 1 1 d .
H81A H -0.0598 0.7753 0.4068 0.030 Uiso 1 1 calc R
H81B H 0.0842 0.7600 0.3832 0.030 Uiso 1 1 calc R
C36 C 0.3113(5) 0.4900(2) 1.0649(2) 0.0261(11) Uani 1 1 d .
H36A H 0.3162 0.5159 1.1095 0.031 Uiso 1 1 calc R
H36B H 0.3162 0.5209 1.0368 0.031 Uiso 1 1 calc R
C41 C 0.4934(5) 0.3437(2) 0.8438(2) 0.0220(10) Uani 1 1 d .
H41A H 0.5229 0.3820 0.8797 0.026 Uiso 1 1 calc R
H41B H 0.5426 0.3055 0.8541 0.026 Uiso 1 1 calc R
C15 C 0.5457(5) -0.0462(2) 0.8363(2) 0.0298(12) Uani 1 1 d .
H15A H 0.4595 -0.0282 0.8473 0.045 Uiso 1 1 calc GR
H15B H 0.6169 -0.0367 0.8749 0.045 Uiso 1 1 calc GR
H15C H 0.5328 -0.0936 0.8199 0.045 Uiso 1 1 calc GR
C21 C 0.5678(5) 0.1380(2) 0.9409(2) 0.0270(11) Uani 1 1 d .
H21 H 0.6379 0.1202 0.9140 0.032 Uiso 1 1 calc R
C42 C 0.5286(5) 0.3569(2) 0.7819(2) 0.0279(12) Uani 1 1 d .
H42A H 0.5060 0.3171 0.7469 0.034 Uiso 1 1 calc R
H42B H 0.6282 0.3671 0.7878 0.034 Uiso 1 1 calc R
C26 C 0.5012(5) 0.2318(2) 1.0111(2) 0.0275(11) Uani 1 1 d .
H26 H 0.5243 0.2780 1.0352 0.033 Uiso 1 1 calc R
C11 C 0.3506(5) -0.0857(2) 0.6259(2) 0.0280(12) Uani 1 1 d .
H11 H 0.3461 -0.1220 0.5903 0.034 Uiso 1 1 calc R
C16 C 0.7231(5) -0.0437(3) 0.7674(3) 0.0330(12) Uani 1 1 d .
H16A H 0.7111 -0.0914 0.7534 0.050 Uiso 1 1 calc GR
H16B H 0.7960 -0.0322 0.8051 0.050 Uiso 1 1 calc GR
H16C H 0.7479 -0.0259 0.7324 0.050 Uiso 1 1 calc GR
C43 C 0.4504(5) 0.4134(3) 0.7627(2) 0.0338(13) Uani 1 1 d .
H43A H 0.4718 0.4191 0.7211 0.041 Uiso 1 1 calc R
H43B H 0.4801 0.4541 0.7955 0.041 Uiso 1 1 calc R
C27 C 0.1018(5) 0.2734(2) 0.8728(2) 0.0199(10) Uani 1 1 d .
H27 H 0.0525 0.3142 0.8699 0.024 Uiso 1 1 calc R
C30 C -0.1432(6) 0.1822(3) 0.8363(2) 0.0350(13) Uani 1 1 d .
H30A H -0.2438 0.1755 0.8230 0.042 Uiso 1 1 calc R
H30B H -0.1046 0.1392 0.8383 0.042 Uiso 1 1 calc R
C22 C 0.6048(5) 0.1769(2) 1.0114(2) 0.0289(12) Uani 1 1 d .
H22 H 0.7034 0.1902 1.0284 0.035 Uiso 1 1 calc R
C31 C -0.0834(5) 0.2099(2) 0.7868(2) 0.0276(12) Uani 1 1 d .
H31A H -0.1309 0.2500 0.7810 0.033 Uiso 1 1 calc R
H31B H -0.1003 0.1778 0.7450 0.033 Uiso 1 1 calc R
C19 C 0.0708(5) 0.0722(3) 0.6187(2) 0.0327(12) Uani 1 1 d .
H19A H 0.1418 0.0918 0.6013 0.049 Uiso 1 1 calc GR
H19B H -0.0023 0.1029 0.6255 0.049 Uiso 1 1 calc GR
H19C H 0.0327 0.0318 0.5883 0.049 Uiso 1 1 calc GR
C28 C 0.0452(5) 0.2429(2) 0.9227(2) 0.0280(12) Uani 1 1 d .
H28A H 0.0917 0.2020 0.9261 0.034 Uiso 1 1 calc R
H28B H 0.0644 0.2735 0.9655 0.034 Uiso 1 1 calc R
C64 C 0.2052(5) 0.6303(3) 0.8358(2) 0.0329(13) Uani 1 1 d .
H64A H 0.1554 0.6281 0.7922 0.049 Uiso 1 1 calc GR
H64B H 0.2684 0.5945 0.8348 0.049 Uiso 1 1 calc GR
H64C H 0.2572 0.6722 0.8518 0.049 Uiso 1 1 calc GR
C24 C 0.5341(5) 0.1326(3) 1.0458(2) 0.0312(12) Uani 1 1 d .
H24A H 0.5759 0.0897 1.0436 0.037 Uiso 1 1 calc R
H24B H 0.5288 0.1539 1.0910 0.037 Uiso 1 1 calc R
C44 C 0.2964(5) 0.4012(3) 0.7565(2) 0.0347(13) Uani 1 1 d .
H44A H 0.2651 0.3630 0.7207 0.042 Uiso 1 1 calc R
H44B H 0.2482 0.4397 0.7464 0.042 Uiso 1 1 calc R
C35 C 0.1764(5) 0.4514(2) 1.0442(2) 0.0284(12) Uani 1 1 d .
H35A H 0.1003 0.4817 1.0440 0.034 Uiso 1 1 calc R
H35B H 0.1661 0.4242 1.0751 0.034 Uiso 1 1 calc R
C63 C 0.1783(5) 0.6252(3) 0.9480(2) 0.0342(13) Uani 1 1 d .
H63A H 0.2331 0.6662 0.9648 0.051 Uiso 1 1 calc GR
H63B H 0.2388 0.5884 0.9465 0.051 Uiso 1 1 calc GR
H63C H 0.1120 0.6218 0.9762 0.051 Uiso 1 1 calc GR
C29 C -0.1106(5) 0.2282(3) 0.9026(2) 0.0404(15) Uani 1 1 d .
H29A H -0.1450 0.2081 0.9345 0.048 Uiso 1 1 calc R
H29B H -0.1575 0.2695 0.9017 0.048 Uiso 1 1 calc R
C18 C 0.0262(6) 0.0251(3) 0.7102(3) 0.0446(15) Uani 1 1 d .
H18A H -0.0015 -0.0184 0.6829 0.067 Uiso 1 1 calc GR
H18B H -0.0540 0.0521 0.7118 0.067 Uiso 1 1 calc GR
H18C H 0.0651 0.0210 0.7538 0.067 Uiso 1 1 calc GR
C02Z C 0.5446(6) 0.9805(3) 0.5183(3) 0.0462(15) Uani 1 1 d .
H02A H 0.4975 0.9374 0.5124 0.055 Uiso 1 1 calc R
H02B H 0.5550 1.0021 0.5645 0.055 Uiso 1 1 calc R
C030 C 0.6856(6) 0.9693(3) 0.5017(3) 0.0527(17) Uani 1 1 d .
H03A H 0.6763 0.9493 0.4551 0.063 Uiso 1 1 calc R
H03B H 0.7355 1.0121 0.5099 0.063 Uiso 1 1 calc R
C031 C 0.7675(7) 0.9274(3) 0.5375(3) 0.0609(19) Uani 1 1 d .
H03C H 0.8562 0.9213 0.5230 0.091 Uiso 1 1 calc GR
H03D H 0.7190 0.8849 0.5299 0.091 Uiso 1 1 calc GR
H03E H 0.7823 0.9480 0.5836 0.091 Uiso 1 1 calc GR
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
O2 Rh2 P2 87.23(8) .
O2 Rh2 C66 167.20(14) .
O2 Rh2 C71 105.19(13) .
O2 Rh2 C70 98.69(14) .
C66 Rh2 P2 98.25(12) .
C66 Rh2 C71 65.53(15) .
C66 Rh2 C70 78.96(16) .
C71 Rh2 P2 154.90(11) .
C65 Rh2 P2 101.32(13) .
C65 Rh2 O2 150.60(15) .
C65 Rh2 C66 39.52(17) .
C65 Rh2 C71 78.65(16) .
C65 Rh2 C70 66.91(17) .
C70 Rh2 P2 164.73(12) .
C70 Rh2 C71 36.04(16) .
O1 Rh1 P1 87.16(9) .
O1 Rh1 C20 103.33(14) .
O1 Rh1 C25 164.92(16) .
O1 Rh1 C21 99.28(15) .
O1 Rh1 C26 153.22(16) .
C20 Rh1 P1 153.93(14) .
C25 Rh1 P1 97.64(13) .
C25 Rh1 C20 66.66(18) .
C25 Rh1 C21 79.21(18) .
C25 Rh1 C26 39.33(18) .
C21 Rh1 P1 166.38(14) .
C21 Rh1 C20 35.71(18) .
C26 Rh1 P1 102.23(14) .
C26 Rh1 C20 79.14(18) .
C26 Rh1 C21 66.91(18) .
C72 P2 Rh2 115.67(15) .
C72 P2 C78 102.61(19) .
C84 P2 Rh2 108.93(14) .
C84 P2 C72 104.82(18) .
C84 P2 C78 110.34(19) .
C78 P2 Rh2 113.97(13) .
C39 P1 Rh1 115.89(16) .
C40 P1 Rh1 109.89(15) .
C40 P1 C39 110.9(2) .
C40 P1 C27 104.2(2) .
C27 P1 Rh1 111.76(16) .
C27 P1 C39 103.4(2) .
C46 O2 Rh2 131.3(3) .
C1 O1 Rh1 129.9(3) .
C46 N2 C53 121.7(4) .
C1 N1 C8 120.1(4) .
F10 C52 C47 120.4(4) .
F10 C52 C51 117.4(4) .
C47 C52 C51 122.2(4) .
H89A C89 H89B 108.0 .
C84 C89 H89A 109.4 .
C84 C89 H89B 109.4 .
C88 C89 H89A 109.4 .
C88 C89 H89B 109.4 .
C88 C89 C84 111.2(3) .
O2 C46 C47 118.6(3) .
N2 C46 O2 129.4(4) .
N2 C46 C47 111.9(3) .
Rh2 C66 H66 123.0 .
C68 C66 Rh2 99.4(2) .
C68 C66 H66 123.0 .
C65 C66 Rh2 69.2(2) .
C65 C66 H66 123.0 .
C65 C66 C68 105.7(4) .
Rh2 C71 H71 123.3 .
C68 C71 Rh2 94.7(3) .
C68 C71 H71 123.3 .
C70 C71 Rh2 71.2(2) .
C70 C71 H71 123.3 .
C70 C71 C68 107.3(4) .
C52 C47 C46 121.3(4) .
C48 C47 C52 116.5(4) .
C48 C47 C46 122.0(4) .
F9 C51 C52 120.6(4) .
F9 C51 C50 119.8(4) .
C52 C51 C50 119.5(4) .
C53 C58 C59 119.5(4) .
C57 C58 C53 118.0(4) .
C57 C58 C59 122.5(4) .
P2 C72 H72 107.2 .
C73 C72 P2 110.3(3) .
C73 C72 H72 107.2 .
C73 C72 C77 109.8(4) .
C77 C72 P2 114.8(3) .
C77 C72 H72 107.2 .
P2 C84 H84 104.9 .
C89 C84 P2 116.4(3) .
C89 C84 H84 104.9 .
C89 C84 C85 110.6(3) .
C85 C84 P2 113.8(3) .
C85 C84 H84 104.9 .
C66 C68 C71 100.4(3) .
C66 C68 H68 117.1 .
C66 C68 C69 101.8(3) .
C71 C68 H68 117.1 .
C71 C68 C69 100.4(3) .
C69 C68 H68 117.1 .
C84 C85 H85A 109.5 .
C84 C85 H85B 109.5 .
H85A C85 H85B 108.1 .
C86 C85 C84 110.6(3) .
C86 C85 H85A 109.5 .
C86 C85 H85B 109.5 .
H87A C87 H87B 108.0 .
C88 C87 H87A 109.4 .
C88 C87 H87B 109.4 .
C88 C87 C86 111.0(4) .
C86 C87 H87A 109.4 .
C86 C87 H87B 109.4 .
F1 C3 C2 120.7(4) .
F1 C3 C4 117.5(4) .
C4 C3 C2 121.8(4) .
H83A C83 H83B 108.1 .
C78 C83 H83A 109.5 .
C78 C83 H83B 109.5 .
C82 C83 H83A 109.5 .
C82 C83 H83B 109.5 .
C82 C83 C78 110.8(3) .
C53 C54 C62 119.8(4) .
C55 C54 C53 118.6(4) .
C55 C54 C62 121.6(4) .
F5 C7 C2 120.2(4) .
F5 C7 C6 116.7(4) .
C2 C7 C6 123.1(4) .
F7 C49 C50 120.5(4) .
F7 C49 C48 120.2(4) .
C50 C49 C48 119.3(4) .
Rh2 C65 H65 122.7 .
C66 C65 Rh2 71.3(2) .
C66 C65 H65 122.7 .
C66 C65 C67 105.8(4) .
C67 C65 Rh2 99.1(3) .
C67 C65 H65 122.7 .
F8 C50 C51 119.4(4) .
F8 C50 C49 120.7(4) .
C49 C50 C51 119.9(4) .
C89 C88 H88A 109.1 .
C89 C88 H88B 109.1 .
C87 C88 C89 112.3(3) .
C87 C88 H88A 109.1 .
C87 C88 H88B 109.1 .
H88A C88 H88B 107.9 .
C3 C2 C1 122.0(4) .
C7 C2 C3 116.1(4) .
C7 C2 C1 121.7(4) .
P2 C78 H78 105.0 .
C83 C78 P2 118.4(3) .
C83 C78 H78 105.0 .
C83 C78 C79 109.6(3) .
C79 C78 P2 112.5(3) .
C79 C78 H78 105.0 .
F3 C5 C6 120.5(4) .
F3 C5 C4 119.8(4) .
C6 C5 C4 119.7(4) .
F4 C6 C7 121.0(4) .
F4 C6 C5 119.3(4) .
C5 C6 C7 119.7(4) .
C72 C73 H73A 109.4 .
C72 C73 H73B 109.4 .
H73A C73 H73B 108.0 .
C74 C73 C72 111.2(3) .
C74 C73 H73A 109.4 .
C74 C73 H73B 109.4 .
C58 C53 N2 120.6(4) .
C58 C53 C54 120.8(4) .
C54 C53 N2 118.3(4) .
C78 C79 H79A 109.3 .
C78 C79 H79B 109.3 .
H79A C79 H79B 108.0 .
C80 C79 C78 111.4(4) .
C80 C79 H79A 109.3 .
C80 C79 H79B 109.3 .
F6 C48 C47 120.9(4) .
F6 C48 C49 116.5(4) .
C47 C48 C49 122.6(4) .
H38A C38 H38B 108.0 .
C37 C38 H38A 109.3 .
C37 C38 H38B 109.3 .
C39 C38 H38A 109.3 .
C39 C38 H38B 109.3 .
C39 C38 C37 111.5(4) .
C58 C59 H59 107.6 .
C58 C59 C61 113.8(4) .
C58 C59 C60 110.9(4) .
C61 C59 H59 107.6 .
C61 C59 C60 109.0(4) .
C60 C59 H59 107.6 .
C13 C8 N1 119.0(4) .
C13 C8 C9 121.1(4) .
C9 C8 N1 119.7(4) .
C38 C37 H37A 109.5 .
C38 C37 H37B 109.5 .
H37A C37 H37B 108.1 .
C36 C37 C38 110.8(4) .
C36 C37 H37A 109.5 .
C36 C37 H37B 109.5 .
C65 C67 H67 117.4 .
C65 C67 C70 99.9(3) .
C65 C67 C69 101.3(4) .
C70 C67 H67 117.4 .
C69 C67 H67 117.4 .
C69 C67 C70 100.3(4) .
Rh2 C70 H70 123.5 .
C71 C70 Rh2 72.8(3) .
C71 C70 C67 106.0(4) .
C71 C70 H70 123.5 .
C67 C70 Rh2 94.0(3) .
C67 C70 H70 123.5 .
C59 C61 H61A 109.5 .
C59 C61 H61B 109.5 .
C59 C61 H61C 109.5 .
H61A C61 H61B 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
F2 C4 C3 119.8(4) .
F2 C4 C5 120.5(4) .
C5 C4 C3 119.7(4) .
O1 C1 C2 110.4(4) .
N1 C1 O1 126.1(4) .
N1 C1 C2 123.5(4) .
H34A C34 H34B 108.2 .
C39 C34 H34A 109.7 .
C39 C34 H34B 109.7 .
C39 C34 C35 109.9(4) .
C35 C34 H34A 109.7 .
C35 C34 H34B 109.7 .
C58 C57 H57 119.2 .
C56 C57 C58 121.6(5) .
C56 C57 H57 119.2 .
H32A C32 H32B 108.1 .
C27 C32 H32A 109.5 .
C27 C32 H32B 109.5 .
C27 C32 C31 110.7(4) .
C31 C32 H32A 109.5 .
C31 C32 H32B 109.5 .
C79 C80 H80A 109.3 .
C79 C80 H80B 109.3 .
C79 C80 C81 111.5(4) .
H80A C80 H80B 108.0 .
C81 C80 H80A 109.3 .
C81 C80 H80B 109.3 .
H76A C76 H76B 108.0 .
C77 C76 H76A 109.3 .
C77 C76 H76B 109.3 .
C75 C76 H76A 109.3 .
C75 C76 H76B 109.3 .
C75 C76 C77 111.4(4) .
C8 C13 C14 120.6(4) .
C12 C13 C8 118.0(4) .
C12 C13 C14 121.4(4) .
Rh1 C20 H20 123.5 .
C23 C20 Rh1 93.9(3) .
C23 C20 H20 123.5 .
C21 C20 Rh1 71.9(3) .
C21 C20 H20 123.5 .
C21 C20 C23 106.6(4) .
C9 C17 H17 107.7 .
C9 C17 C19 114.2(4) .
C9 C17 C18 108.3(4) .
C19 C17 H17 107.7 .
C19 C17 C18 110.9(4) .
C18 C17 H17 107.7 .
Rh1 C25 H25 123.0 .
C23 C25 Rh1 98.8(3) .
C23 C25 H25 123.0 .
C26 C25 Rh1 70.4(3) .
C26 C25 H25 123.0 .
C26 C25 C23 105.5(4) .
C83 C82 H82A 109.0 .
C83 C82 H82B 109.0 .
C83 C82 C81 112.8(4) .
H82A C82 H82B 107.8 .
C81 C82 H82A 109.0 .
C81 C82 H82B 109.0 .
C54 C62 H62 107.4 .
C54 C62 C64 109.5(4) .
C54 C62 C63 114.6(4) .
C64 C62 H62 107.4 .
C63 C62 H62 107.4 .
C63 C62 C64 110.2(4) .
H45A C45 H45B 108.2 .
C40 C45 H45A 109.8 .
C40 C45 H45B 109.8 .
C40 C45 C44 109.4(4) .
C44 C45 H45A 109.8 .
C44 C45 H45B 109.8 .
C13 C14 H14 107.6 .
C13 C14 C15 110.2(4) .
C13 C14 C16 113.9(4) .
C15 C14 H14 107.6 .
C15 C14 C16 109.6(4) .
C16 C14 H14 107.6 .
C68 C69 C67 94.1(3) .
C68 C69 H69A 112.9 .
C68 C69 H69B 112.9 .
C67 C69 H69A 112.9 .
C67 C69 H69B 112.9 .
H69A C69 H69B 110.3 .
C54 C55 H55 119.7 .
C56 C55 C54 120.6(5) .
C56 C55 H55 119.7 .
C13 C12 H12 119.3 .
C11 C12 C13 121.4(4) .
C11 C12 H12 119.3 .
P1 C39 H39 105.9 .
C38 C39 P1 112.1(3) .
C38 C39 C34 109.1(4) .
C38 C39 H39 105.9 .
C34 C39 P1 117.1(3) .
C34 C39 H39 105.9 .
C85 C86 C87 111.3(3) .
C85 C86 H86A 109.4 .
C85 C86 H86B 109.4 .
C87 C86 H86A 109.4 .
C87 C86 H86B 109.4 .
H86A C86 H86B 108.0 .
C57 C56 C55 120.5(4) .
C57 C56 H56 119.8 .
C55 C56 H56 119.8 .
P1 C40 H40 104.6 .
C45 C40 P1 116.9(3) .
C45 C40 H40 104.6 .
C45 C40 C41 110.6(4) .
C41 C40 P1 114.0(3) .
C41 C40 H40 104.6 .
C59 C60 H60A 109.5 .
C59 C60 H60B 109.5 .
C59 C60 H60C 109.5 .
H60A C60 H60B 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
C72 C77 H77A 109.8 .
C72 C77 H77B 109.8 .
C76 C77 C72 109.5(3) .
C76 C77 H77A 109.8 .
C76 C77 H77B 109.8 .
H77A C77 H77B 108.2 .
C9 C10 H10 119.4 .
C11 C10 H10 119.4 .
C11 C10 C9 121.2(5) .
C20 C23 H23 116.9 .
C25 C23 C20 100.6(3) .
C25 C23 H23 116.9 .
C24 C23 C20 100.9(4) .
C24 C23 C25 101.7(4) .
C24 C23 H23 116.9 .
C8 C9 C17 121.9(4) .
C10 C9 C8 117.9(4) .
C10 C9 C17 120.0(4) .
C76 C75 H75A 109.5 .
C76 C75 H75B 109.5 .
H75A C75 H75B 108.1 .
C74 C75 C76 110.8(4) .
C74 C75 H75A 109.5 .
C74 C75 H75B 109.5 .
C73 C74 H74A 109.4 .
C73 C74 H74B 109.4 .
C75 C74 C73 111.1(4) .
C75 C74 H74A 109.4 .
C75 C74 H74B 109.4 .
H74A C74 H74B 108.0 .
C80 C81 C82 110.5(4) .
C80 C81 H81A 109.5 .
C80 C81 H81B 109.5 .
C82 C81 H81A 109.5 .
C82 C81 H81B 109.5 .
H81A C81 H81B 108.1 .
C37 C36 H36A 109.2 .
C37 C36 H36B 109.2 .
H36A C36 H36B 107.9 .
C35 C36 C37 112.3(4) .
C35 C36 H36A 109.2 .
C35 C36 H36B 109.2 .
C40 C41 H41A 109.7 .
C40 C41 H41B 109.7 .
H41A C41 H41B 108.2 .
C42 C41 C40 109.9(4) .
C42 C41 H41A 109.7 .
C42 C41 H41B 109.7 .
C14 C15 H15A 109.5 .
C14 C15 H15B 109.5 .
C14 C15 H15C 109.5 .
H15A C15 H15B 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
Rh1 C21 H21 123.3 .
C20 C21 Rh1 72.4(3) .
C20 C21 H21 123.3 .
C20 C21 C22 106.9(4) .
C22 C21 Rh1 94.3(3) .
C22 C21 H21 123.3 .
C41 C42 H42A 109.3 .
C41 C42 H42B 109.3 .
C41 C42 C43 111.5(4) .
H42A C42 H42B 108.0 .
C43 C42 H42A 109.3 .
C43 C42 H42B 109.3 .
Rh1 C26 H26 123.0 .
C25 C26 Rh1 70.3(3) .
C25 C26 H26 123.0 .
C25 C26 C22 105.8(4) .
C22 C26 Rh1 98.3(3) .
C22 C26 H26 123.0 .
C12 C11 H11 119.9 .
C10 C11 C12 120.1(4) .
C10 C11 H11 119.9 .
C14 C16 H16A 109.5 .
C14 C16 H16B 109.5 .
C14 C16 H16C 109.5 .
H16A C16 H16B 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C42 C43 H43A 109.4 .
C42 C43 H43B 109.4 .
C42 C43 C44 111.0(4) .
H43A C43 H43B 108.0 .
C44 C43 H43A 109.4 .
C44 C43 H43B 109.4 .
P1 C27 H27 108.0 .
C32 C27 P1 113.7(3) .
C32 C27 H27 108.0 .
C32 C27 C28 109.3(4) .
C28 C27 P1 109.6(3) .
C28 C27 H27 108.0 .
H30A C30 H30B 108.1 .
C31 C30 H30A 109.5 .
C31 C30 H30B 109.5 .
C29 C30 H30A 109.5 .
C29 C30 H30B 109.5 .
C29 C30 C31 110.7(4) .
C21 C22 C26 100.3(4) .
C21 C22 H22 117.5 .
C21 C22 C24 100.5(4) .
C26 C22 H22 117.5 .
C24 C22 C26 100.3(4) .
C24 C22 H22 117.5 .
C32 C31 H31A 109.1 .
C32 C31 H31B 109.1 .
C30 C31 C32 112.4(4) .
C30 C31 H31A 109.1 .
C30 C31 H31B 109.1 .
H31A C31 H31B 107.9 .
C17 C19 H19A 109.5 .
C17 C19 H19B 109.5 .
C17 C19 H19C 109.5 .
H19A C19 H19B 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C27 C28 H28A 109.6 .
C27 C28 H28B 109.6 .
H28A C28 H28B 108.1 .
C29 C28 C27 110.5(4) .
C29 C28 H28A 109.6 .
C29 C28 H28B 109.6 .
C62 C64 H64A 109.5 .
C62 C64 H64B 109.5 .
C62 C64 H64C 109.5 .
H64A C64 H64B 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
C23 C24 C22 94.0(4) .
C23 C24 H24A 112.9 .
C23 C24 H24B 112.9 .
C22 C24 H24A 112.9 .
C22 C24 H24B 112.9 .
H24A C24 H24B 110.3 .
C45 C44 H44A 109.5 .
C45 C44 H44B 109.5 .
C43 C44 C45 110.9(4) .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 108.1 .
C34 C35 H35A 109.5 .
C34 C35 H35B 109.5 .
C36 C35 C34 110.5(4) .
C36 C35 H35A 109.5 .
C36 C35 H35B 109.5 .
H35A C35 H35B 108.1 .
C62 C63 H63A 109.5 .
C62 C63 H63B 109.5 .
C62 C63 H63C 109.5 .
H63A C63 H63B 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
C30 C29 C28 110.6(4) .
C30 C29 H29A 109.5 .
C30 C29 H29B 109.5 .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 108.1 .
C17 C18 H18A 109.5 .
C17 C18 H18B 109.5 .
C17 C18 H18C 109.5 .
H18A C18 H18B 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C02Z C02Z H02A 108.1 2_676
C02Z C02Z H02B 108.1 2_676
C02Z C02Z C030 116.9(6) 2_676
H02A C02Z H02B 107.3 .
C030 C02Z H02A 108.1 .
C030 C02Z H02B 108.1 .
C02Z C030 H03A 108.7 .
C02Z C030 H03B 108.7 .
H03A C030 H03B 107.6 .
C031 C030 C02Z 114.4(5) .
C031 C030 H03A 108.7 .
C031 C030 H03B 108.7 .
C030 C031 H03C 109.5 .
C030 C031 H03D 109.5 .
C030 C031 H03E 109.5 .
H03C C031 H03D 109.5 .
H03C C031 H03E 109.5 .
H03D C031 H03E 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh2 P2 2.3325(11) .
Rh2 O2 2.090(3) .
Rh2 C66 2.109(4) .
Rh2 C71 2.216(4) .
Rh2 C65 2.082(4) .
Rh2 C70 2.197(4) .
Rh1 P1 2.3149(13) .
Rh1 O1 2.077(3) .
Rh1 C20 2.213(5) .
Rh1 C25 2.099(4) .
Rh1 C21 2.207(5) .
Rh1 C26 2.100(5) .
P2 C72 1.845(4) .
P2 C84 1.839(4) .
P2 C78 1.865(4) .
P1 C39 1.866(4) .
P1 C40 1.853(4) .
P1 C27 1.854(5) .
F10 C52 1.340(5) .
F6 C48 1.347(5) .
F9 C51 1.337(5) .
F5 C7 1.351(5) .
F8 C50 1.336(5) .
F7 C49 1.334(5) .
F4 C6 1.345(5) .
O2 C46 1.293(5) .
F1 C3 1.342(5) .
F3 C5 1.350(5) .
F2 C4 1.346(5) .
O1 C1 1.292(5) .
N2 C46 1.287(5) .
N2 C53 1.417(5) .
N1 C8 1.420(5) .
N1 C1 1.278(6) .
C52 C47 1.384(6) .
C52 C51 1.385(6) .
C89 H89A 0.9900 .
C89 H89B 0.9900 .
C89 C84 1.538(6) .
C89 C88 1.533(6) .
C46 C47 1.519(6) .
C66 H66 1.0000 .
C66 C68 1.520(6) .
C66 C65 1.417(6) .
C71 H71 1.0000 .
C71 C68 1.529(5) .
C71 C70 1.365(6) .
C47 C48 1.379(6) .
C51 C50 1.388(6) .
C58 C53 1.413(6) .
C58 C59 1.513(6) .
C58 C57 1.381(6) .
C72 H72 1.0000 .
C72 C73 1.543(6) .
C72 C77 1.546(5) .
C84 H84 1.0000 .
C84 C85 1.539(6) .
C68 H68 1.0000 .
C68 C69 1.535(6) .
C85 H85A 0.9900 .
C85 H85B 0.9900 .
C85 C86 1.524(6) .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C87 C88 1.524(6) .
C87 C86 1.531(6) .
C3 C2 1.396(6) .
C3 C4 1.391(6) .
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C83 C78 1.531(6) .
C83 C82 1.513(6) .
C54 C53 1.413(6) .
C54 C62 1.517(7) .
C54 C55 1.386(6) .
C7 C2 1.368(6) .
C7 C6 1.380(6) .
C49 C50 1.362(7) .
C49 C48 1.398(6) .
C65 H65 1.0000 .
C65 C67 1.535(6) .
C88 H88A 0.9900 .
C88 H88B 0.9900 .
C2 C1 1.535(6) .
C78 H78 1.0000 .
C78 C79 1.539(6) .
C5 C6 1.368(6) .
C5 C4 1.370(7) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C73 C74 1.537(6) .
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C79 C80 1.516(5) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C38 C37 1.527(6) .
C38 C39 1.523(6) .
C59 H59 1.0000 .
C59 C61 1.531(6) .
C59 C60 1.538(6) .
C8 C13 1.418(6) .
C8 C9 1.419(6) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C37 C36 1.518(7) .
C67 H67 1.0000 .
C67 C70 1.550(6) .
C67 C69 1.535(6) .
C70 H70 1.0000 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C34 C39 1.532(6) .
C34 C35 1.547(6) .
C57 H57 0.9500 .
C57 C56 1.376(7) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C32 C27 1.527(6) .
C32 C31 1.533(7) .
C80 H80A 0.9900 .
C80 H80B 0.9900 .
C80 C81 1.528(6) .
C76 H76A 0.9900 .
C76 H76B 0.9900 .
C76 C77 1.524(6) .
C76 C75 1.520(7) .
C13 C14 1.512(6) .
C13 C12 1.395(6) .
C20 H20 1.0000 .
C20 C23 1.546(6) .
C20 C21 1.355(7) .
C17 H17 1.0000 .
C17 C9 1.510(6) .
C17 C19 1.516(7) .
C17 C18 1.519(6) .
C25 H25 1.0000 .
C25 C23 1.535(7) .
C25 C26 1.413(7) .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C82 C81 1.529(7) .
C62 H62 1.0000 .
C62 C64 1.542(6) .
C62 C63 1.521(7) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C45 C40 1.529(6) .
C45 C44 1.539(6) .
C14 H14 1.0000 .
C14 C15 1.525(6) .
C14 C16 1.528(6) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C55 H55 0.9500 .
C55 C56 1.380(7) .
C12 H12 0.9500 .
C12 C11 1.394(7) .
C39 H39 1.0000 .
C86 H86A 0.9900 .
C86 H86B 0.9900 .
C56 H56 0.9500 .
C40 H40 1.0000 .
C40 C41 1.534(6) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C10 H10 0.9500 .
C10 C9 1.410(6) .
C10 C11 1.377(7) .
C23 H23 1.0000 .
C23 C24 1.525(7) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C75 C74 1.511(6) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C36 C35 1.507(7) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C41 C42 1.519(6) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C21 H21 1.0000 .
C21 C22 1.544(7) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C42 C43 1.520(7) .
C26 H26 1.0000 .
C26 C22 1.550(7) .
C11 H11 0.9500 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C43 C44 1.524(7) .
C27 H27 1.0000 .
C27 C28 1.547(6) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C30 C31 1.524(6) .
C30 C29 1.524(7) .
C22 H22 1.0000 .
C22 C24 1.545(6) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C28 C29 1.542(7) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C02Z C02Z 1.465(11) 2_676
C02Z H02A 0.9900 .
C02Z H02B 0.9900 .
C02Z C030 1.506(8) .
C030 H03A 0.9900 .
C030 H03B 0.9900 .
C030 C031 1.463(8) .
C031 H03C 0.9800 .
C031 H03D 0.9800 .
C031 H03E 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
Rh2 P2 C72 C73 54.4(3) .
Rh2 P2 C72 C77 -70.3(3) .
Rh2 P2 C84 C89 -176.3(2) .
Rh2 P2 C84 C85 -45.8(3) .
Rh2 P2 C78 C83 -156.8(3) .
Rh2 P2 C78 C79 73.7(3) .
Rh2 O2 C46 N2 128.9(4) .
Rh2 O2 C46 C47 -54.2(5) .
Rh2 C66 C68 C71 -1.5(3) .
Rh2 C66 C68 C69 -104.6(3) .
Rh2 C66 C65 C67 94.5(3) .
Rh2 C71 C68 C66 1.4(3) .
Rh2 C71 C68 C69 105.7(3) .
Rh2 C71 C70 C67 -89.2(3) .
Rh2 C65 C67 C70 3.6(3) .
Rh2 C65 C67 C69 106.3(3) .
Rh1 P1 C39 C38 75.4(3) .
Rh1 P1 C39 C34 -157.5(3) .
Rh1 P1 C40 C45 177.2(3) .
Rh1 P1 C40 C41 -51.7(3) .
Rh1 P1 C27 C32 -62.1(3) .
Rh1 P1 C27 C28 60.6(3) .
Rh1 O1 C1 N1 13.6(7) .
Rh1 O1 C1 C2 -168.7(3) .
Rh1 C20 C23 C25 -2.1(4) .
Rh1 C20 C23 C24 -106.4(3) .
Rh1 C20 C21 C22 89.1(3) .
Rh1 C25 C23 C20 2.2(4) .
Rh1 C25 C23 C24 105.9(3) .
Rh1 C25 C26 C22 -93.4(3) .
Rh1 C21 C22 C26 3.0(4) .
Rh1 C21 C22 C24 105.7(3) .
Rh1 C26 C22 C21 -3.2(4) .
Rh1 C26 C22 C24 -106.1(3) .
P2 C72 C73 C74 176.3(3) .
P2 C72 C77 C76 -177.6(3) .
P2 C84 C85 C86 169.7(3) .
P2 C78 C79 C80 -168.6(3) .
P1 C40 C41 C42 167.3(3) .
P1 C27 C28 C29 176.0(3) .
F10 C52 C47 C46 3.3(5) .
F10 C52 C47 C48 177.6(3) .
F10 C52 C51 F9 1.8(5) .
F10 C52 C51 C50 -177.5(3) .
F9 C51 C50 F8 -0.2(5) .
F9 C51 C50 C49 -179.3(4) .
F5 C7 C2 C3 -179.0(4) .
F5 C7 C2 C1 -4.2(7) .
F5 C7 C6 F4 -0.4(6) .
F5 C7 C6 C5 179.6(4) .
F7 C49 C50 F8 1.8(6) .
F7 C49 C50 C51 -179.1(4) .
F7 C49 C48 F6 -1.4(5) .
F7 C49 C48 C47 179.3(4) .
O2 C46 C47 C52 -60.7(5) .
O2 C46 C47 C48 125.2(4) .
F1 C3 C2 C7 178.7(4) .
F1 C3 C2 C1 3.8(7) .
F1 C3 C4 F2 0.9(7) .
F1 C3 C4 C5 -179.6(4) .
F3 C5 C6 F4 0.4(7) .
F3 C5 C6 C7 -179.6(4) .
F3 C5 C4 F2 -0.5(7) .
F3 C5 C4 C3 -180.0(4) .
N2 C46 C47 C52 116.7(4) .
N2 C46 C47 C48 -57.3(5) .
N1 C8 C13 C14 3.1(6) .
N1 C8 C13 C12 -179.6(4) .
N1 C8 C9 C17 -4.3(6) .
N1 C8 C9 C10 -179.4(4) .
C52 C47 C48 F6 -179.7(3) .
C52 C47 C48 C49 -0.4(6) .
C52 C51 C50 F8 179.2(3) .
C52 C51 C50 C49 0.1(6) .
C89 C84 C85 C86 -57.0(4) .
C46 N2 C53 C58 78.9(5) .
C46 N2 C53 C54 -107.9(5) .
C46 C47 C48 F6 -5.4(6) .
C46 C47 C48 C49 173.9(4) .
C66 C68 C69 C67 51.5(4) .
C66 C65 C67 C70 -69.4(4) .
C66 C65 C67 C69 33.3(4) .
C71 C68 C69 C67 -51.6(4) .
C47 C52 C51 F9 179.1(3) .
C47 C52 C51 C50 -0.2(6) .
C51 C52 C47 C46 -174.0(3) .
C51 C52 C47 C48 0.4(5) .
C58 C57 C56 C55 -0.1(7) .
C72 P2 C84 C89 59.4(3) .
C72 P2 C84 C85 -170.1(3) .
C72 P2 C78 C83 -30.9(4) .
C72 P2 C78 C79 -160.5(3) .
C72 C73 C74 C75 55.6(5) .
C84 P2 C72 C73 174.4(3) .
C84 P2 C72 C77 49.7(4) .
C84 P2 C78 C83 80.3(4) .
C84 P2 C78 C79 -49.2(3) .
C84 C89 C88 C87 -53.9(5) .
C84 C85 C86 C87 57.6(4) .
C68 C66 C65 Rh2 -94.2(3) .
C68 C66 C65 C67 0.2(4) .
C68 C71 C70 Rh2 89.1(3) .
C68 C71 C70 C67 -0.1(4) .
C3 C2 C1 O1 112.2(5) .
C3 C2 C1 N1 -70.1(6) .
C83 C78 C79 C80 57.4(4) .
C83 C82 C81 C80 -54.0(5) .
C54 C55 C56 C57 -0.3(7) .
C7 C2 C1 O1 -62.4(6) .
C7 C2 C1 N1 115.4(5) .
C65 C66 C68 C71 69.3(4) .
C65 C66 C68 C69 -33.8(4) .
C65 C67 C70 Rh2 -3.4(3) .
C65 C67 C70 C71 69.8(4) .
C65 C67 C69 C68 -51.0(4) .
C50 C49 C48 F6 179.6(4) .
C50 C49 C48 C47 0.3(6) .
C88 C89 C84 P2 -173.1(3) .
C88 C89 C84 C85 54.9(4) .
C88 C87 C86 C85 -55.9(4) .
C2 C3 C4 F2 179.3(4) .
C2 C3 C4 C5 -1.2(7) .
C2 C7 C6 F4 -179.6(4) .
C2 C7 C6 C5 0.4(7) .
C78 P2 C72 C73 -70.3(3) .
C78 P2 C72 C77 165.0(3) .
C78 P2 C84 C89 -50.5(3) .
C78 P2 C84 C85 80.1(3) .
C78 C83 C82 C81 55.9(5) .
C78 C79 C80 C81 -56.7(5) .
C6 C7 C2 C3 0.1(7) .
C6 C7 C2 C1 175.0(4) .
C6 C5 C4 F2 -178.8(4) .
C6 C5 C4 C3 1.7(7) .
C73 C72 C77 C76 57.5(5) .
C53 N2 C46 O2 -1.5(7) .
C53 N2 C46 C47 -178.5(4) .
C53 C58 C59 C61 -163.7(4) .
C53 C58 C59 C60 73.0(5) .
C53 C58 C57 C56 -0.1(6) .
C53 C54 C62 C64 90.2(5) .
C53 C54 C62 C63 -145.4(4) .
C53 C54 C55 C56 0.8(6) .
C79 C80 C81 C82 53.9(5) .
C48 C49 C50 F8 -179.2(3) .
C48 C49 C50 C51 -0.1(6) .
C38 C37 C36 C35 54.1(5) .
C59 C58 C53 N2 -4.7(6) .
C59 C58 C53 C54 -177.7(4) .
C59 C58 C57 C56 178.2(4) .
C8 N1 C1 O1 175.4(4) .
C8 N1 C1 C2 -2.0(7) .
C8 C13 C14 C15 85.9(5) .
C8 C13 C14 C16 -150.5(4) .
C8 C13 C12 C11 -2.2(7) .
C37 C38 C39 P1 -170.0(3) .
C37 C38 C39 C34 58.7(5) .
C37 C36 C35 C34 -55.4(5) .
C70 C71 C68 C66 -70.3(4) .
C70 C71 C68 C69 33.9(4) .
C70 C67 C69 C68 51.3(4) .
C4 C3 C2 C7 0.3(7) .
C4 C3 C2 C1 -174.6(4) .
C4 C5 C6 F4 178.7(4) .
C4 C5 C6 C7 -1.3(7) .
C1 N1 C8 C13 105.6(5) .
C1 N1 C8 C9 -79.0(5) .
C57 C58 C53 N2 173.6(4) .
C57 C58 C53 C54 0.6(6) .
C57 C58 C59 C61 18.1(6) .
C57 C58 C59 C60 -105.2(5) .
C32 C27 C28 C29 -58.8(5) .
C76 C75 C74 C73 -55.8(5) .
C13 C8 C9 C17 171.1(4) .
C13 C8 C9 C10 -4.0(6) .
C13 C12 C11 C10 -1.6(7) .
C20 C23 C24 C22 50.9(4) .
C20 C21 C22 C26 -69.8(5) .
C20 C21 C22 C24 32.8(5) .
C25 C23 C24 C22 -52.5(4) .
C25 C26 C22 C21 68.6(4) .
C25 C26 C22 C24 -34.3(5) .
C82 C83 C78 P2 172.7(3) .
C82 C83 C78 C79 -56.5(5) .
C62 C54 C53 N2 8.2(6) .
C62 C54 C53 C58 -178.7(4) .
C62 C54 C55 C56 178.5(4) .
C45 C40 C41 C42 -58.5(5) .
C14 C13 C12 C11 175.1(4) .
C69 C67 C70 Rh2 -106.9(3) .
C69 C67 C70 C71 -33.7(4) .
C55 C54 C53 N2 -174.1(4) .
C55 C54 C53 C58 -1.0(6) .
C55 C54 C62 C64 -87.5(5) .
C55 C54 C62 C63 36.9(6) .
C12 C13 C14 C15 -91.3(5) .
C12 C13 C14 C16 32.4(6) .
C39 P1 C40 C45 -53.3(4) .
C39 P1 C40 C41 77.8(4) .
C39 P1 C27 C32 172.6(3) .
C39 P1 C27 C28 -64.7(4) .
C39 C38 C37 C36 -55.8(5) .
C39 C34 C35 C36 57.9(5) .
C86 C87 C88 C89 54.0(4) .
C40 P1 C39 C38 -50.8(4) .
C40 P1 C39 C34 76.3(4) .
C40 P1 C27 C32 56.5(4) .
C40 P1 C27 C28 179.3(3) .
C40 C45 C44 C43 -57.3(6) .
C40 C41 C42 C43 56.9(5) .
C77 C72 C73 C74 -56.2(5) .
C77 C76 C75 C74 58.2(5) .
C23 C20 C21 Rh1 -88.7(3) .
C23 C20 C21 C22 0.5(5) .
C23 C25 C26 Rh1 94.0(3) .
C23 C25 C26 C22 0.6(5) .
C9 C8 C13 C14 -172.3(4) .
C9 C8 C13 C12 5.0(6) .
C9 C10 C11 C12 2.6(7) .
C75 C76 C77 C72 -58.9(5) .
C41 C42 C43 C44 -56.0(6) .
C21 C20 C23 C25 70.2(5) .
C21 C20 C23 C24 -34.1(5) .
C21 C22 C24 C23 -50.5(4) .
C42 C43 C44 C45 56.0(6) .
C26 C25 C23 C20 -69.7(4) .
C26 C25 C23 C24 33.9(4) .
C26 C22 C24 C23 52.1(4) .
C11 C10 C9 C8 0.2(7) .
C11 C10 C9 C17 -175.0(4) .
C27 P1 C39 C38 -162.0(3) .
C27 P1 C39 C34 -34.9(4) .
C27 P1 C40 C45 57.3(4) .
C27 P1 C40 C41 -171.6(3) .
C27 C32 C31 C30 -56.1(5) .
C27 C28 C29 C30 58.2(6) .
C31 C32 C27 P1 -179.9(3) .
C31 C32 C27 C28 57.2(5) .
C31 C30 C29 C28 -55.6(6) .
C19 C17 C9 C8 140.2(4) .
C19 C17 C9 C10 -44.8(6) .
C44 C45 C40 P1 -168.7(3) .
C44 C45 C40 C41 58.6(5) .
C35 C34 C39 P1 172.3(3) .
C35 C34 C39 C38 -59.2(5) .
C29 C30 C31 C32 54.9(6) .
C18 C17 C9 C8 -95.6(5) .
C18 C17 C9 C10 79.4(6) .
C02Z C02Z C030 C031 -177.2(7) 2_676
