#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005569.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_7005569
loop_
_publ_author_name
'Su, Wei Lin'
'Yu, Yu Cheng'
'Tseng, Mei Ching'
'Wang, Shao Pin'
'Huang, Wen Liang'
_publ_section_title
;
 Photophysical and electrochemical properties of new ortho-metalated
 complexes of rhodium(III) containing 2,2'-dipyridylketone and
 2,2'-dipyridylamine. An experimental and theoretical study.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3440
_journal_page_last               3449
_journal_paper_doi               10.1039/b703216a
_journal_year                    2007
_chemical_formula_moiety         'C99 H76 F18 N12 O5 P3 Rh3'
_chemical_formula_sum            'C99 H76 F18 N12 O5 P3 Rh3'
_chemical_formula_weight         2257.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.44
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.8740(2)
_cell_length_b                   12.88590(10)
_cell_length_c                   29.9331(3)
_cell_measurement_reflns_used    84829
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.037
_cell_volume                     9664.71(14)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 19'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            71797
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.8109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4544
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1322
_refine_ls_number_reflns         17558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.073
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0793P)²+17.9180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1413
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                12663
_reflns_number_total             17558
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703216a.txt
_cod_data_source_block           4873
_cod_original_cell_volume        9664.63(14)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7005569
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.406496(15) 0.06005(3) 0.074434(14) 0.02842(12) Uani 1 1 d . . .
Rh2 Rh 0.239073(15) 0.31628(3) 0.242471(14) 0.02867(12) Uani 1 1 d . . .
Rh3 Rh 0.097595(16) 0.85433(3) 0.359254(15) 0.03336(13) Uani 1 1 d . . .
P1 P 0.20870(15) 0.1029(3) 0.50289(11) 0.0555(9) Uani 0.50 1 d P . .
P2 P 0.32693(6) 0.69878(13) 0.15321(6) 0.0455(4) Uani 1 1 d . . .
P3 P 0.40886(8) 0.10166(18) 0.36641(7) 0.0670(5) Uani 1 1 d . . .
P4 P 0.08876(18) 0.9894(3) 0.07225(18) 0.0708(12) Uani 0.50 1 d P . .
F1 F 0.2553(4) 0.0839(8) 0.5460(3) 0.095(3) Uani 0.50 1 d P . .
F2 F 0.2479(3) 0.1016(6) 0.4714(3) 0.069(2) Uani 0.50 1 d P . .
F3 F 0.1649(3) 0.1210(6) 0.4593(2) 0.060(2) Uani 0.50 1 d P . .
F4 F 0.1688(5) 0.1026(9) 0.5349(4) 0.115(4) Uani 0.50 1 d P . .
F5 F 0.2169(5) 0.2258(7) 0.5086(3) 0.101(3) Uani 0.50 1 d P . .
F6 F 0.2022(4) -0.0150(7) 0.4975(3) 0.082(3) Uani 0.50 1 d P . .
F7 F 0.38571(15) 0.6559(4) 0.16143(15) 0.0875(15) Uani 1 1 d . . .
F8 F 0.3011(2) 0.5917(4) 0.1394(2) 0.121(2) Uani 1 1 d . . .
F9 F 0.26952(16) 0.7489(4) 0.14438(15) 0.0908(16) Uani 1 1 d . . .
F10 F 0.3524(2) 0.8109(3) 0.16441(18) 0.0993(16) Uani 1 1 d . . .
F11 F 0.32851(16) 0.6890(4) 0.20593(14) 0.0856(14) Uani 1 1 d . . .
F12 F 0.32479(18) 0.7153(5) 0.10020(15) 0.1036(17) Uani 1 1 d . . .
F13 F 0.4633(2) 0.0581(5) 0.3596(2) 0.137(2) Uani 1 1 d . . .
F14 F 0.3794(2) 0.0046(4) 0.3402(2) 0.1080(17) Uani 1 1 d . . .
F15 F 0.3537(2) 0.1457(5) 0.37256(19) 0.1082(18) Uani 1 1 d . . .
F16 F 0.4372(2) 0.2020(5) 0.3908(2) 0.151(3) Uani 1 1 d . . .
F17 F 0.3989(3) 0.1560(4) 0.3185(2) 0.140(3) Uani 1 1 d . . .
F18 F 0.4156(3) 0.0475(7) 0.4136(2) 0.177(3) Uani 1 1 d . . .
F19 F 0.1364(4) 0.9175(7) 0.0921(5) 0.121(4) Uani 0.50 1 d P . .
F20 F 0.0751(5) 0.9372(8) 0.0173(6) 0.145(6) Uani 0.50 1 d P . .
F21 F 0.0419(4) 1.0625(10) 0.0513(4) 0.121(4) Uani 0.50 1 d P . .
F22 F 0.1002(4) 1.0421(7) 0.1199(4) 0.106(4) Uani 0.50 1 d P . .
F23 F 0.1282(5) 1.0700(8) 0.0606(5) 0.130(4) Uani 0.50 1 d P . .
F24 F 0.0505(4) 0.9387(12) 0.0841(3) 0.131(5) Uani 0.50 1 d P . .
O1 O 0.51993(16) -0.1666(3) 0.16005(15) 0.0538(11) Uani 1 1 d . . .
O2 O 0.3357(2) 0.5252(4) 0.34731(17) 0.0699(14) Uani 1 1 d . . .
O3 O -0.00325(18) 0.9892(4) 0.44239(17) 0.0663(13) Uani 1 1 d . . .
N1 N 0.48536(16) 0.1027(3) 0.08966(14) 0.0336(10) Uani 1 1 d . . .
N2 N 0.32629(16) 0.0269(3) 0.05279(15) 0.0329(10) Uani 1 1 d . . .
N3 N 0.41485(17) 0.0138(4) 0.14628(15) 0.0365(11) Uani 1 1 d . . .
N4 N 0.42041(16) -0.1026(3) 0.06185(15) 0.0325(10) Uani 1 1 d . . .
N5 N 0.21308(18) 0.4678(3) 0.24055(16) 0.0359(11) Uani 1 1 d . . .
N6 N 0.25416(17) 0.1621(3) 0.23392(16) 0.0332(10) Uani 1 1 d . . .
N7 N 0.25168(17) 0.3098(3) 0.31745(15) 0.0344(10) Uani 1 1 d . . .
N8 N 0.32395(17) 0.3532(3) 0.25586(16) 0.0355(11) Uani 1 1 d . . .
N9 N 0.01681(18) 0.8256(3) 0.33973(17) 0.0399(11) Uani 1 1 d . . .
N10 N 0.17876(18) 0.8658(4) 0.37160(16) 0.0397(11) Uani 1 1 d . . .
N11 N 0.08196(17) 1.0188(3) 0.36901(16) 0.0366(11) Uani 1 1 d . . .
N12 N 0.10490(17) 0.8357(4) 0.43258(16) 0.0384(11) Uani 1 1 d . . .
C1 C 0.52657(19) 0.0412(4) 0.08665(19) 0.0341(12) Uani 1 1 d . . .
H1 H 0.5199 -0.0302 0.0780 0.041 Uiso 1 1 d R . .
C2 C 0.5781(2) 0.0767(5) 0.0966(2) 0.0419(14) Uani 1 1 d . . .
H2 H 0.6065 0.0312 0.0937 0.050 Uiso 1 1 d R . .
C3 C 0.5883(2) 0.1796(5) 0.1089(2) 0.0479(16) Uani 1 1 d . . .
H3 H 0.6243 0.2051 0.1160 0.058 Uiso 1 1 d R . .
C4 C 0.5468(2) 0.2424(5) 0.1113(2) 0.0465(15) Uani 1 1 d . . .
H4 H 0.5528 0.3140 0.1198 0.056 Uiso 1 1 d R . .
C5 C 0.4950(2) 0.2038(4) 0.10189(19) 0.0367(13) Uani 1 1 d . . .
C6 C 0.4471(2) 0.2647(4) 0.10208(19) 0.0380(13) Uani 1 1 d . . .
C7 C 0.4486(3) 0.3688(5) 0.1136(2) 0.0544(17) Uani 1 1 d . . .
H7 H 0.4825 0.4033 0.1224 0.065 Uiso 1 1 d R . .
C8 C 0.4013(3) 0.4216(5) 0.1124(3) 0.0568(18) Uani 1 1 d . . .
H8 H 0.4024 0.4940 0.1201 0.068 Uiso 1 1 d R . .
C9 C 0.3537(2) 0.3697(5) 0.0997(2) 0.0443(15) Uani 1 1 d . . .
H9 H 0.3208 0.4042 0.0996 0.053 Uiso 1 1 d R . .
C10 C 0.3523(2) 0.2663(4) 0.08752(19) 0.0381(13) Uani 1 1 d . . .
H10 H 0.3188 0.2305 0.0780 0.046 Uiso 1 1 d R . .
C11 C 0.39851(19) 0.2115(4) 0.08861(17) 0.0289(11) Uani 1 1 d . . .
C12 C 0.2990(2) -0.0340(4) 0.07466(19) 0.0365(13) Uani 1 1 d . . .
H12 H 0.3156 -0.0613 0.1046 0.044 Uiso 1 1 d R . .
C13 C 0.2463(2) -0.0599(5) 0.0564(2) 0.0474(15) Uani 1 1 d . . .
H13 H 0.2288 -0.1068 0.0729 0.057 Uiso 1 1 d R . .
C14 C 0.2199(2) -0.0160(5) 0.0136(2) 0.0515(17) Uani 1 1 d . . .
H14 H 0.1828 -0.0298 0.0006 0.062 Uiso 1 1 d R . .
C15 C 0.2479(2) 0.0444(5) -0.0086(2) 0.0495(16) Uani 1 1 d . . .
H15 H 0.2303 0.0764 -0.0373 0.059 Uiso 1 1 d R . .
C16 C 0.3021(2) 0.0631(4) 0.00977(19) 0.0371(13) Uani 1 1 d . . .
C17 C 0.3391(2) 0.1139(5) -0.0141(2) 0.0403(14) Uani 1 1 d . . .
C18 C 0.3226(2) 0.1547(5) -0.0588(2) 0.0478(15) Uani 1 1 d . . .
H18 H 0.2852 0.1579 -0.0737 0.057 Uiso 1 1 d R . .
C19 C 0.3598(3) 0.1925(5) -0.0809(2) 0.0536(17) Uani 1 1 d . . .
H19 H 0.3483 0.2198 -0.1116 0.064 Uiso 1 1 d R . .
C20 C 0.4136(3) 0.1902(5) -0.0581(2) 0.0479(15) Uani 1 1 d . . .
H20 H 0.4400 0.2153 -0.0730 0.057 Uiso 1 1 d R . .
C21 C 0.4303(2) 0.1501(4) -0.0133(2) 0.0392(13) Uani 1 1 d . . .
H21 H 0.4675 0.1492 0.0022 0.047 Uiso 1 1 d R . .
C22 C 0.3932(2) 0.1122(4) 0.00912(18) 0.0320(12) Uani 1 1 d . . .
C23 C 0.3904(2) 0.0692(5) 0.1730(2) 0.0445(14) Uani 1 1 d . . .
H23 H 0.3654 0.1219 0.1590 0.053 Uiso 1 1 d R . .
C24 C 0.3983(3) 0.0557(5) 0.2192(2) 0.0543(17) Uani 1 1 d . . .
H24 H 0.3787 0.0957 0.2366 0.065 Uiso 1 1 d R . .
C25 C 0.4357(3) -0.0166(5) 0.2417(2) 0.0557(18) Uani 1 1 d . . .
H25 H 0.4430 -0.0249 0.2746 0.067 Uiso 1 1 d R . .
C26 C 0.4610(3) -0.0751(5) 0.2154(2) 0.0507(16) Uani 1 1 d . . .
H26 H 0.4865 -0.1271 0.2295 0.061 Uiso 1 1 d R . .
C27 C 0.4496(2) -0.0594(4) 0.1678(2) 0.0395(14) Uani 1 1 d . . .
C28 C 0.4762(2) -0.1300(4) 0.1418(2) 0.0406(14) Uani 1 1 d . . .
C29 C 0.4485(2) -0.1685(4) 0.09439(19) 0.0368(13) Uani 1 1 d . . .
C30 C 0.4556(2) -0.2728(5) 0.0851(2) 0.0478(16) Uani 1 1 d . . .
H30 H 0.4764 -0.3163 0.1090 0.057 Uiso 1 1 d R . .
C31 C 0.4333(3) -0.3124(5) 0.0423(2) 0.0550(17) Uani 1 1 d . . .
H31 H 0.4370 -0.3847 0.0360 0.066 Uiso 1 1 d R . .
C32 C 0.4053(3) -0.2454(5) 0.0095(2) 0.0514(16) Uani 1 1 d . . .
H32 H 0.3892 -0.2701 -0.0211 0.062 Uiso 1 1 d R . .
C33 C 0.4001(2) -0.1431(4) 0.0198(2) 0.0411(14) Uani 1 1 d . . .
H33 H 0.3808 -0.0990 -0.0045 0.049 Uiso 1 1 d R . .
C34 C 0.2433(3) 0.5535(4) 0.2422(2) 0.0461(15) Uani 1 1 d . . .
H34 H 0.2813 0.5463 0.2478 0.055 Uiso 1 1 d R . .
C35 C 0.2216(3) 0.6515(5) 0.2358(3) 0.0587(19) Uani 1 1 d . . .
H35 H 0.2442 0.7112 0.2379 0.070 Uiso 1 1 d R . .
C36 C 0.1677(3) 0.6620(5) 0.2264(3) 0.0617(19) Uani 1 1 d . . .
H36 H 0.1521 0.7300 0.2216 0.074 Uiso 1 1 d R . .
C37 C 0.1354(3) 0.5766(5) 0.2240(2) 0.0517(17) Uani 1 1 d . . .
H37 H 0.0975 0.5852 0.2183 0.062 Uiso 1 1 d R . .
C38 C 0.1588(2) 0.4785(4) 0.23107(19) 0.0381(13) Uani 1 1 d . . .
C39 C 0.1297(2) 0.3816(4) 0.22912(19) 0.0372(13) Uani 1 1 d . . .
C40 C 0.0745(2) 0.3767(5) 0.2250(2) 0.0452(15) Uani 1 1 d . . .
H40 H 0.0545 0.4396 0.2248 0.054 Uiso 1 1 d R . .
C41 C 0.0493(2) 0.2826(5) 0.2221(2) 0.0525(16) Uani 1 1 d . . .
H41 H 0.0114 0.2799 0.2185 0.063 Uiso 1 1 d R . .
C42 C 0.0783(2) 0.1917(5) 0.2240(2) 0.0457(15) Uani 1 1 d . . .
H42 H 0.0603 0.1261 0.2222 0.055 Uiso 1 1 d R . .
C43 C 0.1337(2) 0.1953(4) 0.22849(19) 0.0373(13) Uani 1 1 d . . .
H43 H 0.1539 0.1328 0.2288 0.045 Uiso 1 1 d R . .
C44 C 0.1603(2) 0.2905(4) 0.23185(18) 0.0314(12) Uani 1 1 d . . .
C45 C 0.2704(2) 0.0920(4) 0.2677(2) 0.0391(13) Uani 1 1 d . . .
H45 H 0.2801 0.1134 0.2994 0.047 Uiso 1 1 d R . .
C46 C 0.2741(3) -0.0123(4) 0.2592(2) 0.0485(16) Uani 1 1 d . . .
H46 H 0.2850 -0.0602 0.2844 0.058 Uiso 1 1 d R . .
C47 C 0.2612(3) -0.0452(5) 0.2135(2) 0.0547(18) Uani 1 1 d . . .
H47 H 0.2633 -0.1175 0.2065 0.066 Uiso 1 1 d R . .
C48 C 0.2460(3) 0.0259(4) 0.1790(2) 0.0463(15) Uani 1 1 d . . .
H48 H 0.2370 0.0028 0.1476 0.056 Uiso 1 1 d R . .
C49 C 0.2428(2) 0.1304(4) 0.18931(19) 0.0347(13) Uani 1 1 d . . .
C50 C 0.22972(19) 0.2150(4) 0.15529(18) 0.0331(12) Uani 1 1 d . . .
C51 C 0.2228(2) 0.2012(5) 0.1081(2) 0.0408(14) Uani 1 1 d . . .
H51 H 0.2227 0.1321 0.0961 0.049 Uiso 1 1 d R . .
C52 C 0.2152(2) 0.2842(5) 0.0788(2) 0.0463(15) Uani 1 1 d . . .
H52 H 0.2110 0.2750 0.0463 0.056 Uiso 1 1 d R . .
C53 C 0.2141(2) 0.3838(5) 0.0971(2) 0.0441(15) Uani 1 1 d . . .
H53 H 0.2103 0.4438 0.0776 0.053 Uiso 1 1 d R . .
C54 C 0.2195(2) 0.3983(4) 0.1436(2) 0.0380(13) Uani 1 1 d . . .
H54 H 0.2171 0.4670 0.1553 0.046 Uiso 1 1 d R . .
C55 C 0.22760(19) 0.3149(4) 0.17402(18) 0.0309(12) Uani 1 1 d . . .
C56 C 0.2199(2) 0.2496(4) 0.33640(19) 0.0383(13) Uani 1 1 d . . .
H56 H 0.1963 0.2006 0.3174 0.046 Uiso 1 1 d R . .
C57 C 0.2199(2) 0.2525(5) 0.3823(2) 0.0463(15) Uani 1 1 d . . .
H57 H 0.1967 0.2070 0.3936 0.056 Uiso 1 1 d R . .
C58 C 0.2523(3) 0.3214(5) 0.4113(2) 0.0537(17) Uani 1 1 d . . .
H58 H 0.2514 0.3243 0.4431 0.064 Uiso 1 1 d R . .
C59 C 0.2853(2) 0.3847(5) 0.3929(2) 0.0497(16) Uani 1 1 d . . .
H59 H 0.3087 0.4338 0.4121 0.060 Uiso 1 1 d R . .
C60 C 0.2845(2) 0.3756(4) 0.3462(2) 0.0403(14) Uani 1 1 d . . .
C61 C 0.3228(2) 0.4413(5) 0.3291(2) 0.0481(15) Uani 1 1 d . . .
C62 C 0.3511(2) 0.4036(4) 0.2943(2) 0.0439(14) Uani 1 1 d . . .
C63 C 0.4050(2) 0.4275(5) 0.3019(3) 0.0562(18) Uani 1 1 d . . .
H63 H 0.4220 0.4651 0.3294 0.067 Uiso 1 1 d R . .
C64 C 0.4321(3) 0.3986(6) 0.2699(3) 0.0628(19) Uani 1 1 d . . .
H64 H 0.4696 0.4129 0.2754 0.075 Uiso 1 1 d R . .
C65 C 0.4048(2) 0.3485(5) 0.2304(3) 0.0544(17) Uani 1 1 d . . .
H65 H 0.4230 0.3294 0.2073 0.065 Uiso 1 1 d R . .
C66 C 0.3511(2) 0.3280(5) 0.2245(2) 0.0427(14) Uani 1 1 d . . .
H66 H 0.3324 0.2925 0.1970 0.051 Uiso 1 1 d R . .
C67 C -0.0130(2) 0.7869(5) 0.3667(2) 0.0501(16) Uani 1 1 d . . .
H67 H 0.0028 0.7783 0.3991 0.060 Uiso 1 1 d R . .
C68 C -0.0662(3) 0.7624(6) 0.3504(3) 0.0645(19) Uani 1 1 d . . .
H68 H -0.0848 0.7327 0.3713 0.077 Uiso 1 1 d R . .
C69 C -0.0891(3) 0.7784(6) 0.3044(3) 0.067(2) Uani 1 1 d . . .
H69 H -0.1265 0.7664 0.2916 0.080 Uiso 1 1 d R . .
C70 C -0.0595(3) 0.8157(5) 0.2755(2) 0.0544(17) Uani 1 1 d . . .
H70 H -0.0756 0.8240 0.2432 0.065 Uiso 1 1 d R . .
C71 C -0.0058(2) 0.8387(4) 0.2937(2) 0.0425(14) Uani 1 1 d . . .
C72 C 0.0314(2) 0.8697(4) 0.2668(2) 0.0397(14) Uani 1 1 d . . .
C73 C 0.0164(3) 0.8892(5) 0.2196(2) 0.0508(16) Uani 1 1 d . . .
H73 H -0.0205 0.8871 0.2032 0.061 Uiso 1 1 d R . .
C74 C 0.0538(3) 0.9139(5) 0.1957(2) 0.0515(16) Uani 1 1 d . . .
H74 H 0.0429 0.9260 0.1630 0.062 Uiso 1 1 d R . .
C75 C 0.1070(3) 0.9199(4) 0.2189(2) 0.0472(15) Uani 1 1 d . . .
H75 H 0.1333 0.9367 0.2024 0.057 Uiso 1 1 d R . .
C76 C 0.1229(2) 0.9008(4) 0.2664(2) 0.0427(14) Uani 1 1 d . . .
H76 H 0.1598 0.9059 0.2827 0.051 Uiso 1 1 d R . .
C77 C 0.0853(2) 0.8748(4) 0.29140(19) 0.0361(13) Uani 1 1 d . . .
C78 C 0.2083(2) 0.9507(5) 0.3851(2) 0.0476(15) Uani 1 1 d . . .
H78 H 0.1915 1.0133 0.3916 0.057 Uiso 1 1 d R . .
C79 C 0.2624(3) 0.9550(6) 0.3904(2) 0.0601(18) Uani 1 1 d . . .
H79 H 0.2814 1.0183 0.4002 0.072 Uiso 1 1 d R . .
C80 C 0.2881(3) 0.8644(6) 0.3820(3) 0.065(2) Uani 1 1 d . . .
H80 H 0.3258 0.8646 0.3843 0.078 Uiso 1 1 d R . .
C81 C 0.2589(2) 0.7740(6) 0.3692(2) 0.0541(17) Uani 1 1 d . . .
H81 H 0.2772 0.7122 0.3639 0.065 Uiso 1 1 d R . .
C82 C 0.2040(2) 0.7749(5) 0.3641(2) 0.0425(14) Uani 1 1 d . . .
C83 C 0.1680(2) 0.6862(4) 0.35242(19) 0.0403(14) Uani 1 1 d . . .
C84 C 0.1860(3) 0.5845(5) 0.3476(2) 0.0511(16) Uani 1 1 d . . .
H84 H 0.2235 0.5728 0.3517 0.061 Uiso 1 1 d R . .
C85 C 0.1508(3) 0.5055(5) 0.3384(2) 0.0586(18) Uani 1 1 d . . .
H85 H 0.1630 0.4364 0.3348 0.070 Uiso 1 1 d R . .
C86 C 0.0969(3) 0.5230(5) 0.3334(2) 0.0587(18) Uani 1 1 d . . .
H86 H 0.0722 0.4662 0.3263 0.070 Uiso 1 1 d R . .
C87 C 0.0787(3) 0.6225(4) 0.3385(2) 0.0491(16) Uani 1 1 d . . .
H87 H 0.0413 0.6340 0.3353 0.059 Uiso 1 1 d R . .
C88 C 0.1142(2) 0.7063(4) 0.34829(19) 0.0380(13) Uani 1 1 d . . .
C89 C 0.0939(2) 1.0913(4) 0.3406(2) 0.0397(14) Uani 1 1 d . . .
H89 H 0.1133 1.0704 0.3186 0.048 Uiso 1 1 d R . .
C90 C 0.0792(2) 1.1938(5) 0.3408(2) 0.0468(15) Uani 1 1 d . . .
H90 H 0.0910 1.2428 0.3213 0.056 Uiso 1 1 d R . .
C91 C 0.0488(3) 1.2240(5) 0.3706(2) 0.0582(18) Uani 1 1 d . . .
H91 H 0.0366 1.2944 0.3702 0.070 Uiso 1 1 d R . .
C92 C 0.0354(3) 1.1517(5) 0.3991(2) 0.0567(18) Uani 1 1 d . . .
H92 H 0.0144 1.1710 0.4200 0.068 Uiso 1 1 d R . .
C93 C 0.0533(2) 1.0498(5) 0.3981(2) 0.0444(15) Uani 1 1 d . . .
C94 C 0.0384(2) 0.9754(5) 0.4313(2) 0.0480(15) Uani 1 1 d . . .
C95 C 0.0752(2) 0.8903(5) 0.4548(2) 0.0404(13) Uani 1 1 d . . .
C96 C 0.0753(3) 0.8712(6) 0.5009(2) 0.0563(17) Uani 1 1 d . . .
H96 H 0.0528 0.9117 0.5153 0.068 Uiso 1 1 d R . .
C97 C 0.1073(3) 0.7938(6) 0.5243(2) 0.0566(17) Uani 1 1 d . . .
H97 H 0.1071 0.7793 0.5557 0.068 Uiso 1 1 d R . .
C98 C 0.1381(3) 0.7379(5) 0.5013(2) 0.0553(17) Uani 1 1 d . . .
H98 H 0.1615 0.6846 0.5171 0.066 Uiso 1 1 d R . .
C99 C 0.1362(2) 0.7608(5) 0.4563(2) 0.0469(15) Uani 1 1 d . . .
H99 H 0.1583 0.7207 0.4413 0.056 Uiso 1 1 d R . .
O10 O 0.0177(7) 0.5989(14) 0.4496(6) 0.144(6) Uiso 0.50 1 d P . .
O11 O 0.3622(12) -0.069(2) 0.5388(10) 0.232(11) Uiso 0.50 1 d P . .
O12 O 0.1056(14) 0.466(3) 0.4797(12) 0.271(14) Uiso 0.50 1 d P . .
O13 O 0.4306(14) 0.788(3) 0.4758(12) 0.302(15) Uiso 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
C22 Rh1 C11 83.1(2) . . ?
C22 Rh1 N1 92.60(19) . . ?
C11 Rh1 N1 80.93(19) . . ?
C22 Rh1 N2 81.34(19) . . ?
C11 Rh1 N2 96.83(18) . . ?
N1 Rh1 N2 173.77(17) . . ?
C22 Rh1 N4 98.56(18) . . ?
C11 Rh1 N4 176.29(18) . . ?
N1 Rh1 N4 95.65(17) . . ?
N2 Rh1 N4 86.72(16) . . ?
C22 Rh1 N3 174.43(19) . . ?
C11 Rh1 N3 92.70(19) . . ?
N1 Rh1 N3 90.33(16) . . ?
N2 Rh1 N3 95.59(17) . . ?
N4 Rh1 N3 85.85(17) . . ?
C55 Rh2 C44 87.2(2) . . ?
C55 Rh2 N6 81.2(2) . . ?
C44 Rh2 N6 92.12(19) . . ?
C55 Rh2 N5 90.92(19) . . ?
C44 Rh2 N5 80.88(19) . . ?
N6 Rh2 N5 169.75(18) . . ?
C55 Rh2 N8 94.34(19) . . ?
C44 Rh2 N8 176.60(19) . . ?
N6 Rh2 N8 91.12(16) . . ?
N5 Rh2 N8 96.04(17) . . ?
C55 Rh2 N7 177.28(18) . . ?
C44 Rh2 N7 92.39(19) . . ?
N6 Rh2 N7 96.12(17) . . ?
N5 Rh2 N7 91.67(17) . . ?
N8 Rh2 N7 86.23(17) . . ?
C77 Rh3 C88 86.9(2) . . ?
C77 Rh3 N10 94.0(2) . . ?
C88 Rh3 N10 81.2(2) . . ?
C77 Rh3 N9 80.9(2) . . ?
C88 Rh3 N9 91.5(2) . . ?
N10 Rh3 N9 171.31(18) . . ?
C77 Rh3 N12 175.76(19) . . ?
C88 Rh3 N12 95.3(2) . . ?
N10 Rh3 N12 89.93(17) . . ?
N9 Rh3 N12 95.37(18) . . ?
C77 Rh3 N11 91.14(19) . . ?
C88 Rh3 N11 177.2(2) . . ?
N10 Rh3 N11 96.97(17) . . ?
N9 Rh3 N11 90.21(17) . . ?
N12 Rh3 N11 86.82(17) . . ?
F3 P1 F6 91.3(5) . . ?
F3 P1 F2 86.6(4) . . ?
F6 P1 F2 89.8(5) . . ?
F3 P1 F1 177.4(6) . . ?
F6 P1 F1 88.5(5) . . ?
F2 P1 F1 90.8(5) . . ?
F3 P1 F4 93.5(6) . . ?
F6 P1 F4 89.4(6) . . ?
F2 P1 F4 179.3(6) . . ?
F1 P1 F4 89.1(6) . . ?
F3 P1 F5 89.5(5) . . ?
F6 P1 F5 178.7(6) . . ?
F2 P1 F5 89.2(5) . . ?
F1 P1 F5 90.7(6) . . ?
F4 P1 F5 91.6(6) . . ?
F8 P2 F11 95.7(3) . . ?
F8 P2 F7 93.7(3) . . ?
F11 P2 F7 91.9(2) . . ?
F8 P2 F9 89.7(3) . . ?
F11 P2 F9 89.3(2) . . ?
F7 P2 F9 176.3(3) . . ?
F8 P2 F12 87.0(3) . . ?
F11 P2 F12 176.8(3) . . ?
F7 P2 F12 89.7(3) . . ?
F9 P2 F12 88.9(3) . . ?
F8 P2 F10 176.7(3) . . ?
F11 P2 F10 87.4(3) . . ?
F7 P2 F10 87.3(3) . . ?
F9 P2 F10 89.3(3) . . ?
F12 P2 F10 89.9(3) . . ?
F18 P3 F17 177.0(4) . . ?
F18 P3 F14 91.6(4) . . ?
F17 P3 F14 87.1(3) . . ?
F18 P3 F16 90.7(5) . . ?
F17 P3 F16 90.5(4) . . ?
F14 P3 F16 177.5(4) . . ?
F18 P3 F13 93.3(4) . . ?
F17 P3 F13 89.4(4) . . ?
F14 P3 F13 89.4(3) . . ?
F16 P3 F13 91.4(3) . . ?
F18 P3 F15 87.4(4) . . ?
F17 P3 F15 89.9(4) . . ?
F14 P3 F15 90.2(3) . . ?
F16 P3 F15 88.9(3) . . ?
F13 P3 F15 179.2(4) . . ?
F24 P4 F19 100.5(8) . . ?
F24 P4 F22 87.4(7) . . ?
F19 P4 F22 87.6(7) . . ?
F24 P4 F21 81.0(8) . . ?
F19 P4 F21 178.3(8) . . ?
F22 P4 F21 93.3(6) . . ?
F24 P4 F23 168.1(8) . . ?
F19 P4 F23 89.0(7) . . ?
F22 P4 F23 85.9(7) . . ?
F21 P4 F23 89.6(7) . . ?
F24 P4 F20 94.2(7) . . ?
F19 P4 F20 95.0(7) . . ?
F22 P4 F20 176.7(6) . . ?
F21 P4 F20 84.1(6) . . ?
F23 P4 F20 92.1(7) . . ?
C1 N1 C5 119.1(4) . . ?
C1 N1 Rh1 125.9(4) . . ?
C5 N1 Rh1 114.9(3) . . ?
C12 N2 C16 119.3(5) . . ?
C12 N2 Rh1 125.8(4) . . ?
C16 N2 Rh1 114.5(3) . . ?
C23 N3 C27 116.3(5) . . ?
C23 N3 Rh1 119.6(4) . . ?
C27 N3 Rh1 123.4(4) . . ?
C33 N4 C29 116.3(5) . . ?
C33 N4 Rh1 119.6(4) . . ?
C29 N4 Rh1 124.1(4) . . ?
C34 N5 C38 118.8(5) . . ?
C34 N5 Rh2 126.4(4) . . ?
C38 N5 Rh2 114.3(4) . . ?
C45 N6 C49 119.2(5) . . ?
C45 N6 Rh2 126.2(4) . . ?
C49 N6 Rh2 114.4(3) . . ?
C60 N7 C56 116.5(5) . . ?
C60 N7 Rh2 122.6(4) . . ?
C56 N7 Rh2 120.1(4) . . ?
C66 N8 C62 117.2(5) . . ?
C66 N8 Rh2 119.7(4) . . ?
C62 N8 Rh2 123.0(4) . . ?
C67 N9 C71 119.1(5) . . ?
C67 N9 Rh3 126.2(4) . . ?
C71 N9 Rh3 114.4(4) . . ?
C78 N10 C82 118.9(5) . . ?
C78 N10 Rh3 126.7(4) . . ?
C82 N10 Rh3 114.4(4) . . ?
C93 N11 C89 117.1(5) . . ?
C93 N11 Rh3 121.8(4) . . ?
C89 N11 Rh3 120.4(4) . . ?
C95 N12 C99 117.4(5) . . ?
C95 N12 Rh3 122.1(4) . . ?
C99 N12 Rh3 120.2(4) . . ?
N1 C1 C2 122.1(5) . . ?
N1 C1 H1 119.2 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 119.2(5) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 118.8(5) . . ?
C4 C3 H3 121.3 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.7(6) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 118.8 . . ?
N1 C5 C4 120.0(5) . . ?
N1 C5 C6 114.6(4) . . ?
C4 C5 C6 125.4(5) . . ?
C7 C6 C11 120.8(5) . . ?
C7 C6 C5 123.3(5) . . ?
C11 C6 C5 115.8(5) . . ?
C6 C7 C8 119.9(6) . . ?
C6 C7 H7 118.9 . . ?
C8 C7 H7 121.2 . . ?
C9 C8 C7 119.5(6) . . ?
C9 C8 H8 120.8 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 120.5(5) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 118.8 . . ?
C9 C10 C11 121.5(5) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 118.2 . . ?
C10 C11 C6 117.8(5) . . ?
C10 C11 Rh1 128.5(4) . . ?
C6 C11 Rh1 113.7(4) . . ?
N2 C12 C13 122.9(5) . . ?
N2 C12 H12 120.3 . . ?
C13 C12 H12 116.8 . . ?
C12 C13 C14 117.9(6) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 122.4 . . ?
C15 C14 C13 118.9(5) . . ?
C15 C14 H14 121.1 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 121.2(6) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 118.9 . . ?
N2 C16 C15 119.4(5) . . ?
N2 C16 C17 113.9(5) . . ?
C15 C16 C17 126.5(5) . . ?
C22 C17 C18 120.6(5) . . ?
C22 C17 C16 116.2(5) . . ?
C18 C17 C16 123.1(5) . . ?
C19 C18 C17 120.4(5) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 119.2(6) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.7 . . ?
C19 C20 C21 120.6(6) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 119.0 . . ?
C22 C21 C20 120.5(5) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C17 118.7(5) . . ?
C21 C22 Rh1 128.0(4) . . ?
C17 C22 Rh1 113.2(4) . . ?
N3 C23 C24 124.4(6) . . ?
N3 C23 H23 118.9 . . ?
C24 C23 H23 116.8 . . ?
C23 C24 C25 119.2(6) . . ?
C23 C24 H24 121.0 . . ?
C25 C24 H24 119.7 . . ?
C26 C25 C24 117.8(6) . . ?
C26 C25 H25 121.9 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 119.8(6) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 119.8 . . ?
N3 C27 C26 122.4(6) . . ?
N3 C27 C28 121.4(5) . . ?
C26 C27 C28 116.2(5) . . ?
O1 C28 C27 120.3(5) . . ?
O1 C28 C29 117.6(5) . . ?
C27 C28 C29 121.8(5) . . ?
N4 C29 C30 122.3(5) . . ?
N4 C29 C28 120.9(5) . . ?
C30 C29 C28 116.8(5) . . ?
C31 C30 C29 120.1(6) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 119.4 . . ?
C30 C31 C32 117.5(6) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 122.2 . . ?
C33 C32 C31 120.5(6) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 120.0 . . ?
N4 C33 C32 123.4(5) . . ?
N4 C33 H33 119.2 . . ?
C32 C33 H33 117.4 . . ?
N5 C34 C35 122.2(6) . . ?
N5 C34 H34 119.2 . . ?
C35 C34 H34 118.6 . . ?
C36 C35 C34 118.9(6) . . ?
C36 C35 H35 120.9 . . ?
C34 C35 H35 120.2 . . ?
C35 C36 C37 120.7(6) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C38 118.9(6) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 121.2 . . ?
N5 C38 C37 120.5(5) . . ?
N5 C38 C39 114.7(5) . . ?
C37 C38 C39 124.9(5) . . ?
C40 C39 C44 120.9(5) . . ?
C40 C39 C38 123.3(5) . . ?
C44 C39 C38 115.8(5) . . ?
C41 C40 C39 120.1(5) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 119.8 . . ?
C40 C41 C42 120.2(5) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 120.1 . . ?
C41 C42 C43 120.3(6) . . ?
C41 C42 H42 119.5 . . ?
C43 C42 H42 120.2 . . ?
C44 C43 C42 120.6(5) . . ?
C44 C43 H43 118.5 . . ?
C42 C43 H43 120.9 . . ?
C43 C44 C39 117.8(5) . . ?
C43 C44 Rh2 128.3(4) . . ?
C39 C44 Rh2 113.9(4) . . ?
N6 C45 C46 122.8(6) . . ?
N6 C45 H45 120.4 . . ?
C46 C45 H45 116.8 . . ?
C45 C46 C47 118.0(6) . . ?
C45 C46 H46 120.2 . . ?
C47 C46 H46 121.8 . . ?
C48 C47 C46 119.5(5) . . ?
C48 C47 H47 120.5 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C49 120.4(6) . . ?
C47 C48 H48 119.3 . . ?
C49 C48 H48 120.3 . . ?
N6 C49 C48 120.0(5) . . ?
N6 C49 C50 114.4(5) . . ?
C48 C49 C50 125.6(5) . . ?
C51 C50 C55 120.8(5) . . ?
C51 C50 C49 123.8(5) . . ?
C55 C50 C49 115.2(5) . . ?
C52 C51 C50 120.8(6) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 119.1 . . ?
C51 C52 C53 118.8(6) . . ?
C51 C52 H52 121.0 . . ?
C53 C52 H52 120.2 . . ?
C54 C53 C52 121.0(6) . . ?
C54 C53 H53 118.4 . . ?
C52 C53 H53 120.7 . . ?
C53 C54 C55 121.2(6) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.1 . . ?
C54 C55 C50 117.4(5) . . ?
C54 C55 Rh2 128.7(4) . . ?
C50 C55 Rh2 113.9(4) . . ?
N7 C56 C57 123.7(5) . . ?
N7 C56 H56 119.4 . . ?
C57 C56 H56 116.9 . . ?
C58 C57 C56 119.9(6) . . ?
C58 C57 H57 120.6 . . ?
C56 C57 H57 119.5 . . ?
C57 C58 C59 117.8(6) . . ?
C57 C58 H58 119.4 . . ?
C59 C58 H58 122.7 . . ?
C58 C59 C60 119.3(6) . . ?
C58 C59 H59 120.4 . . ?
C60 C59 H59 120.3 . . ?
N7 C60 C59 122.7(6) . . ?
N7 C60 C61 120.5(5) . . ?
C59 C60 C61 116.8(5) . . ?
O2 C61 C60 118.9(6) . . ?
O2 C61 C62 118.2(6) . . ?
C60 C61 C62 122.5(5) . . ?
N8 C62 C63 122.2(6) . . ?
N8 C62 C61 120.4(5) . . ?
C63 C62 C61 117.2(6) . . ?
C64 C63 C62 119.3(6) . . ?
C64 C63 H63 122.1 . . ?
C62 C63 H63 118.6 . . ?
C63 C64 C65 119.1(6) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 121.0 . . ?
C64 C65 C66 118.7(6) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 121.2 . . ?
N8 C66 C65 123.4(6) . . ?
N8 C66 H66 118.4 . . ?
C65 C66 H66 118.2 . . ?
N9 C67 C68 122.9(6) . . ?
N9 C67 H67 119.1 . . ?
C68 C67 H67 117.9 . . ?
C69 C68 C67 117.7(7) . . ?
C69 C68 H68 123.6 . . ?
C67 C68 H68 118.6 . . ?
C68 C69 C70 121.0(6) . . ?
C68 C69 H69 121.1 . . ?
C70 C69 H69 117.9 . . ?
C69 C70 C71 119.1(6) . . ?
C69 C70 H70 120.2 . . ?
C71 C70 H70 120.7 . . ?
N9 C71 C70 120.1(6) . . ?
N9 C71 C72 114.6(5) . . ?
C70 C71 C72 125.1(6) . . ?
C73 C72 C77 120.8(6) . . ?
C73 C72 C71 123.8(5) . . ?
C77 C72 C71 115.4(5) . . ?
C74 C73 C72 121.0(6) . . ?
C74 C73 H73 118.7 . . ?
C72 C73 H73 120.3 . . ?
C73 C74 C75 119.5(6) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.5 . . ?
C74 C75 C76 120.4(6) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 H75 119.8 . . ?
C75 C76 C77 121.0(6) . . ?
C75 C76 H76 120.3 . . ?
C77 C76 H76 118.6 . . ?
C76 C77 C72 117.3(5) . . ?
C76 C77 Rh3 128.1(4) . . ?
C72 C77 Rh3 114.3(4) . . ?
N10 C78 C79 124.0(6) . . ?
N10 C78 H78 119.6 . . ?
C79 C78 H78 116.4 . . ?
C78 C79 C80 117.5(7) . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 122.4 . . ?
C81 C80 C79 120.1(6) . . ?
C81 C80 H80 119.6 . . ?
C79 C80 H80 120.3 . . ?
C82 C81 C80 119.6(6) . . ?
C82 C81 H81 121.5 . . ?
C80 C81 H81 119.0 . . ?
N10 C82 C81 119.9(6) . . ?
N10 C82 C83 113.7(5) . . ?
C81 C82 C83 126.3(6) . . ?
C88 C83 C84 120.8(6) . . ?
C88 C83 C82 116.1(5) . . ?
C84 C83 C82 123.0(6) . . ?
C85 C84 C83 120.1(6) . . ?
C85 C84 H84 121.1 . . ?
C83 C84 H84 118.8 . . ?
C84 C85 C86 120.6(6) . . ?
C84 C85 H85 120.1 . . ?
C86 C85 H85 119.3 . . ?
C85 C86 C87 119.9(7) . . ?
C85 C86 H86 119.8 . . ?
C87 C86 H86 120.3 . . ?
C86 C87 C88 120.8(6) . . ?
C86 C87 H87 119.5 . . ?
C88 C87 H87 119.7 . . ?
C83 C88 C87 117.7(5) . . ?
C83 C88 Rh3 114.4(4) . . ?
C87 C88 Rh3 127.8(4) . . ?
N11 C89 C90 123.7(6) . . ?
N11 C89 H89 118.7 . . ?
C90 C89 H89 117.6 . . ?
C89 C90 C91 118.3(6) . . ?
C89 C90 H90 119.9 . . ?
C91 C90 H90 121.7 . . ?
C92 C91 C90 119.0(6) . . ?
C92 C91 H91 121.4 . . ?
C90 C91 H91 119.6 . . ?
C91 C92 C93 119.5(6) . . ?
C91 C92 H92 120.3 . . ?
C93 C92 H92 120.2 . . ?
N11 C93 C92 122.4(6) . . ?
N11 C93 C94 121.1(5) . . ?
C92 C93 C94 116.5(6) . . ?
O3 C94 C93 118.6(6) . . ?
O3 C94 C95 118.5(6) . . ?
C93 C94 C95 122.6(5) . . ?
N12 C95 C96 122.5(6) . . ?
N12 C95 C94 121.6(5) . . ?
C96 C95 C94 115.8(5) . . ?
C97 C96 C95 118.9(6) . . ?
C97 C96 H96 121.5 . . ?
C95 C96 H96 119.5 . . ?
C96 C97 C98 118.4(6) . . ?
C96 C97 H97 119.4 . . ?
C98 C97 H97 122.2 . . ?
C99 C98 C97 119.8(6) . . ?
C99 C98 H98 120.2 . . ?
C97 C98 H98 120.0 . . ?
N12 C99 C98 122.9(6) . . ?
N12 C99 H99 119.3 . . ?
C98 C99 H99 117.8 . . ?
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
Rh1 C22 2.014(5) . ?
Rh1 C11 2.018(5) . ?
Rh1 N1 2.052(4) . ?
Rh1 N2 2.059(4) . ?
Rh1 N4 2.175(4) . ?
Rh1 N3 2.190(5) . ?
Rh2 C55 1.996(5) . ?
Rh2 C44 2.010(5) . ?
Rh2 N6 2.053(4) . ?
Rh2 N5 2.061(4) . ?
Rh2 N8 2.184(4) . ?
Rh2 N7 2.187(4) . ?
Rh3 C77 1.993(6) . ?
Rh3 C88 2.000(5) . ?
Rh3 N10 2.045(5) . ?
Rh3 N9 2.059(4) . ?
Rh3 N12 2.169(5) . ?
Rh3 N11 2.191(4) . ?
P1 F3 1.518(7) . ?
P1 F6 1.532(10) . ?
P1 F2 1.546(9) . ?
P1 F1 1.550(9) . ?
P1 F4 1.574(11) . ?
P1 F5 1.601(10) . ?
P2 F8 1.544(5) . ?
P2 F11 1.573(4) . ?
P2 F7 1.579(4) . ?
P2 F9 1.580(4) . ?
P2 F12 1.588(5) . ?
P2 F10 1.588(4) . ?
P3 F18 1.547(6) . ?
P3 F17 1.558(6) . ?
P3 F14 1.570(5) . ?
P3 F16 1.573(5) . ?
P3 F13 1.577(6) . ?
P3 F15 1.588(5) . ?
P4 F24 1.305(11) . ?
P4 F19 1.538(11) . ?
P4 F22 1.539(12) . ?
P4 F21 1.540(11) . ?
P4 F23 1.556(11) . ?
P4 F20 1.731(17) . ?
O1 C28 1.222(6) . ?
O2 C61 1.219(7) . ?
O3 C94 1.217(7) . ?
N1 C1 1.350(6) . ?
N1 C5 1.358(7) . ?
N2 C12 1.333(7) . ?
N2 C16 1.366(7) . ?
N3 C23 1.343(7) . ?
N3 C27 1.351(7) . ?
N4 C33 1.342(7) . ?
N4 C29 1.359(7) . ?
N5 C34 1.348(7) . ?
N5 C38 1.368(7) . ?
N6 C45 1.343(7) . ?
N6 C49 1.357(7) . ?
N7 C60 1.348(7) . ?
N7 C56 1.353(7) . ?
N8 C66 1.343(7) . ?
N8 C62 1.355(7) . ?
N9 C67 1.346(8) . ?
N9 C71 1.367(7) . ?
N10 C78 1.338(7) . ?
N10 C82 1.386(7) . ?
N11 C93 1.338(7) . ?
N11 C89 1.350(7) . ?
N12 C95 1.337(7) . ?
N12 C99 1.344(7) . ?
C1 C2 1.371(7) . ?
C1 H1 0.9600 . ?
C2 C3 1.383(8) . ?
C2 H2 0.9600 . ?
C3 C4 1.362(8) . ?
C3 H3 0.9600 . ?
C4 C5 1.391(7) . ?
C4 H4 0.9600 . ?
C5 C6 1.466(8) . ?
C6 C7 1.383(8) . ?
C6 C11 1.401(7) . ?
C7 C8 1.393(8) . ?
C7 H7 0.9600 . ?
C8 C9 1.369(8) . ?
C8 H8 0.9599 . ?
C9 C10 1.379(8) . ?
C9 H9 0.9600 . ?
C10 C11 1.381(7) . ?
C10 H10 0.9601 . ?
C12 C13 1.377(8) . ?
C12 H12 0.9601 . ?
C13 C14 1.412(9) . ?
C13 H13 0.9600 . ?
C14 C15 1.344(9) . ?
C14 H14 0.9600 . ?
C15 C16 1.394(8) . ?
C15 H15 0.9601 . ?
C16 C17 1.482(8) . ?
C17 C22 1.399(7) . ?
C17 C18 1.402(8) . ?
C18 C19 1.384(9) . ?
C18 H18 0.9601 . ?
C19 C20 1.391(9) . ?
C19 H19 0.9601 . ?
C20 C21 1.400(8) . ?
C20 H20 0.9599 . ?
C21 C22 1.389(7) . ?
C21 H21 0.9600 . ?
C23 C24 1.359(8) . ?
C23 H23 0.9600 . ?
C24 C25 1.390(9) . ?
C24 H24 0.9601 . ?
C25 C26 1.369(9) . ?
C25 H25 0.9600 . ?
C26 C27 1.395(8) . ?
C26 H26 0.9599 . ?
C27 C28 1.474(8) . ?
C28 C29 1.506(8) . ?
C29 C30 1.393(8) . ?
C30 C31 1.368(9) . ?
C30 H30 0.9600 . ?
C31 C32 1.371(9) . ?
C31 H31 0.9600 . ?
C32 C33 1.369(8) . ?
C32 H32 0.9599 . ?
C33 H33 0.9601 . ?
C34 C35 1.377(8) . ?
C34 H34 0.9599 . ?
C35 C36 1.357(10) . ?
C35 H35 0.9600 . ?
C36 C37 1.374(9) . ?
C36 H36 0.9600 . ?
C37 C38 1.395(8) . ?
C37 H37 0.9601 . ?
C38 C39 1.453(8) . ?
C39 C40 1.404(8) . ?
C39 C44 1.408(7) . ?
C40 C41 1.369(9) . ?
C40 H40 0.9600 . ?
C41 C42 1.384(9) . ?
C41 H41 0.9599 . ?
C42 C43 1.406(8) . ?
C42 H42 0.9601 . ?
C43 C44 1.398(7) . ?
C43 H43 0.9601 . ?
C45 C46 1.376(8) . ?
C45 H45 0.9600 . ?
C46 C47 1.390(9) . ?
C46 H46 0.9600 . ?
C47 C48 1.363(9) . ?
C47 H47 0.9599 . ?
C48 C49 1.388(8) . ?
C48 H48 0.9600 . ?
C49 C50 1.473(8) . ?
C50 C51 1.392(8) . ?
C50 C55 1.410(7) . ?
C51 C52 1.365(8) . ?
C51 H51 0.9600 . ?
C52 C53 1.398(9) . ?
C52 H52 0.9601 . ?
C53 C54 1.375(8) . ?
C53 H53 0.9599 . ?
C54 C55 1.392(7) . ?
C54 H54 0.9600 . ?
C56 C57 1.373(8) . ?
C56 H56 0.9601 . ?
C57 C58 1.372(9) . ?
C57 H57 0.9600 . ?
C58 C59 1.390(9) . ?
C58 H58 0.9601 . ?
C59 C60 1.398(8) . ?
C59 H59 0.9600 . ?
C60 C61 1.487(8) . ?
C61 C62 1.497(9) . ?
C62 C63 1.390(8) . ?
C63 C64 1.373(9) . ?
C63 H63 0.9601 . ?
C64 C65 1.378(10) . ?
C64 H64 0.9600 . ?
C65 C66 1.383(8) . ?
C65 H65 0.9602 . ?
C66 H66 0.9600 . ?
C67 C68 1.378(9) . ?
C67 H67 0.9600 . ?
C68 C69 1.372(10) . ?
C68 H68 0.9600 . ?
C69 C70 1.377(10) . ?
C69 H69 0.9599 . ?
C70 C71 1.392(8) . ?
C70 H70 0.9600 . ?
C71 C72 1.455(8) . ?
C72 C73 1.391(8) . ?
C72 C77 1.408(8) . ?
C73 C74 1.378(9) . ?
C73 H73 0.9600 . ?
C74 C75 1.380(9) . ?
C74 H74 0.9600 . ?
C75 C76 1.400(8) . ?
C75 H75 0.9599 . ?
C76 C77 1.406(8) . ?
C76 H76 0.9600 . ?
C78 C79 1.371(8) . ?
C78 H78 0.9600 . ?
C79 C80 1.397(10) . ?
C79 H79 0.9600 . ?
C80 C81 1.389(10) . ?
C80 H80 0.9601 . ?
C81 C82 1.390(8) . ?
C81 H81 0.9601 . ?
C82 C83 1.461(8) . ?
C83 C88 1.392(8) . ?
C83 C84 1.409(8) . ?
C84 C85 1.346(9) . ?
C84 H84 0.9599 . ?
C85 C86 1.385(10) . ?
C85 H85 0.9599 . ?
C86 C87 1.388(9) . ?
C86 H86 0.9599 . ?
C87 C88 1.400(8) . ?
C87 H87 0.9601 . ?
C89 C90 1.376(8) . ?
C89 H89 0.9600 . ?
C90 C91 1.385(9) . ?
C90 H90 0.9600 . ?
C91 C92 1.364(9) . ?
C91 H91 0.9599 . ?
C92 C93 1.395(8) . ?
C92 H92 0.9600 . ?
C93 C94 1.498(9) . ?
C94 C95 1.507(9) . ?
C95 C96 1.399(8) . ?
C96 C97 1.372(9) . ?
C96 H96 0.9600 . ?
C97 C98 1.377(9) . ?
C97 H97 0.9600 . ?
C98 C99 1.368(8) . ?
C98 H98 0.9601 . ?
C99 H99 0.9601 . ?
O11 O12 1.20(4) 2_546 ?
O12 O11 1.20(4) 2_556 ?
