#------------------------------------------------------------------------------
#$Date: 2020-11-06 13:59:22 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258796 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705220.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_7705220
loop_
_publ_author_name
'Kataoka, Yusuke'
'Kohara, Yoshihiro'
'Yano, Natsumi'
'Kawamoto, Tatsuya'
_publ_section_title
;
 Unique vapochromism of a paddlewheel-type dirhodium complex accompanied
 by dynamic structural and phase transitions.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14373
_journal_page_last               14377
_journal_paper_doi               10.1039/d0dt02672g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C58 H98 N2 O16 Rh4'
_chemical_formula_weight         1491.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-23 deposited with the CCDC.	2020-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.984(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.1315(6)
_cell_length_b                   10.23380(18)
_cell_length_c                   22.3582(4)
_cell_measurement_reflns_used    27922
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.34
_cell_measurement_theta_min      1.90
_cell_volume                     6627.8(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT Version 2018/2 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            40020
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.250
_diffrn_reflns_theta_max         24.250
_diffrn_reflns_theta_min         3.201
_diffrn_source                   'Varimax Mo rotating anode'
_exptl_absorpt_coefficient_mu    1.041
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.191
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         10661
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0442
_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)+(0.0299P)²+27.3344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1016
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9264
_reflns_number_total             10661
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02672g2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7705218--7705220.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705220
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.75639(2) 0.22194(3) 0.46536(2) 0.02386(10) Uani 1 1 d D . . . .
Rh2 Rh 0.76832(2) 0.43687(3) 0.43112(2) 0.02360(10) Uani 1 1 d D . . . .
Rh3 Rh 0.72911(2) 0.58399(4) 0.28963(2) 0.02431(10) Uani 1 1 d . . . . .
Rh4 Rh 0.74130(2) 0.79779(3) 0.25442(2) 0.02328(10) Uani 1 1 d . . . . .
O1 O 0.70055(12) 0.2923(3) 0.48989(15) 0.0295(8) Uani 1 1 d . . . . .
O2 O 0.71022(12) 0.4934(3) 0.45398(15) 0.0301(8) Uani 1 1 d . . . . .
O3 O 0.71315(12) 0.1891(3) 0.37849(14) 0.0293(8) Uani 1 1 d . . . . .
O4 O 0.72739(11) 0.3876(3) 0.34527(14) 0.0270(7) Uani 1 1 d . . . . .
O5 O 0.81231(12) 0.1635(3) 0.43833(16) 0.0329(8) Uani 1 1 d . . . . .
O6 O 0.82526(12) 0.3685(3) 0.40942(15) 0.0322(8) Uani 1 1 d . . . . .
O7 O 0.79895(12) 0.2691(3) 0.55028(15) 0.0287(8) Uani 1 1 d . . . . .
O8 O 0.80776(12) 0.4755(3) 0.51924(14) 0.0310(8) Uani 1 1 d . . . . .
O9 O 0.67206(12) 0.6535(3) 0.31109(15) 0.0317(8) Uani 1 1 d . . . . .
O10 O 0.68684(12) 0.8578(3) 0.28468(15) 0.0310(8) Uani 1 1 d . . . . .
O11 O 0.68890(12) 0.5443(3) 0.20214(15) 0.0315(8) Uani 1 1 d . . . . .
O12 O 0.69672(12) 0.7503(3) 0.17055(14) 0.0294(8) Uani 1 1 d . . . . .
O13 O 0.78654(12) 0.5261(3) 0.26565(15) 0.0296(8) Uani 1 1 d . . . . .
O14 O 0.79508(11) 0.7244(3) 0.22631(15) 0.0271(7) Uani 1 1 d . . . . .
O15 O 0.77037(11) 0.6347(3) 0.37499(14) 0.0275(8) Uani 1 1 d . . . . .
O16 O 0.78619(12) 0.8292(3) 0.33979(14) 0.0294(8) Uani 1 1 d . . . . .
N1 N 0.74661(15) 0.0209(4) 0.49385(18) 0.0279(9) Uani 1 1 d . . . . .
N2 N 0.75038(13) 0.9977(4) 0.22509(17) 0.0246(9) Uani 1 1 d . . . . .
C1 C 0.68878(18) 0.4103(5) 0.4773(2) 0.0308(12) Uani 1 1 d . . . . .
C2 C 0.6459(2) 0.4577(6) 0.4928(3) 0.0487(16) Uani 1 1 d . . . . .
H2A H 0.6277 0.3805 0.4986 0.058 Uiso 1 1 calc R U . . .
H2B H 0.6553 0.5044 0.5331 0.058 Uiso 1 1 calc R U . . .
C3 C 0.6154(2) 0.5445(7) 0.4468(3) 0.0610(19) Uani 1 1 d . . . . .
H3A H 0.6048 0.4968 0.4069 0.073 Uiso 1 1 calc R U . . .
H3B H 0.6337 0.6204 0.4398 0.073 Uiso 1 1 calc R U . . .
C4 C 0.5731(2) 0.5952(8) 0.4647(3) 0.065(2) Uani 1 1 d . . . . .
H4A H 0.5534 0.5192 0.4673 0.078 Uiso 1 1 calc R U . . .
H4B H 0.5838 0.6331 0.5070 0.078 Uiso 1 1 calc R U . . .
C5 C 0.5447(3) 0.6909(8) 0.4249(4) 0.083(3) Uani 1 1 d . . . . .
H5A H 0.5329 0.6532 0.3827 0.100 Uiso 1 1 calc R U . . .
H5B H 0.5640 0.7673 0.4217 0.100 Uiso 1 1 calc R U . . .
C6 C 0.5044(3) 0.7371(8) 0.4464(4) 0.080(2) Uani 1 1 d . . . . .
H6A H 0.4868 0.8018 0.4170 0.096 Uiso 1 1 calc R U . . .
H6B H 0.4844 0.6627 0.4487 0.096 Uiso 1 1 calc R U . . .
H6C H 0.5156 0.7769 0.4877 0.096 Uiso 1 1 calc R U . . .
C7 C 0.70605(17) 0.2774(5) 0.3380(2) 0.0263(11) Uani 1 1 d . . . . .
C8 C 0.66834(17) 0.2593(5) 0.2798(2) 0.0299(11) Uani 1 1 d . . . . .
H8A H 0.6640 0.1650 0.2700 0.036 Uiso 1 1 calc R U . . .
H8B H 0.6765 0.3031 0.2448 0.036 Uiso 1 1 calc R U . . .
C9 C 0.6234(2) 0.3176(6) 0.2881(3) 0.0456(14) Uani 1 1 d . . . . .
H9A H 0.6165 0.2755 0.3243 0.055 Uiso 1 1 calc R U . . .
H9B H 0.6282 0.4120 0.2974 0.055 Uiso 1 1 calc R U . . .
C10 C 0.5823(2) 0.3009(7) 0.2317(3) 0.0589(18) Uani 1 1 d . . . . .
H10A H 0.5769 0.2064 0.2236 0.071 Uiso 1 1 calc R U . . .
H10B H 0.5900 0.3394 0.1951 0.071 Uiso 1 1 calc R U . . .
C11 C 0.5379(2) 0.3630(7) 0.2379(4) 0.068(2) Uani 1 1 d . . . . .
H11A H 0.5120 0.3347 0.2025 0.082 Uiso 1 1 calc R U . . .
H11B H 0.5317 0.3316 0.2767 0.082 Uiso 1 1 calc R U . . .
C12 C 0.5400(3) 0.5073(9) 0.2390(5) 0.105(4) Uani 1 1 d . . . . .
H12A H 0.5108 0.5425 0.2430 0.126 Uiso 1 1 calc R U . . .
H12B H 0.5653 0.5360 0.2745 0.126 Uiso 1 1 calc R U . . .
H12C H 0.5455 0.5391 0.2003 0.126 Uiso 1 1 calc R U . . .
C13 C 0.83501(18) 0.2487(5) 0.4179(2) 0.0336(12) Uani 1 1 d . . . . .
C14 C 0.8786(2) 0.2017(6) 0.4035(3) 0.0458(15) Uani 1 1 d . . . . .
H14A H 0.8888 0.2677 0.3778 0.055 Uiso 1 1 calc R U . . .
H14B H 0.8720 0.1195 0.3793 0.055 Uiso 1 1 calc R U . . .
C15 C 0.9169(3) 0.1782(9) 0.4631(4) 0.081(2) Uani 1 1 d . . . . .
H15A H 0.9055 0.1169 0.4898 0.097 Uiso 1 1 calc R U . . .
H15B H 0.9432 0.1356 0.4523 0.097 Uiso 1 1 calc R U . . .
C16 C 0.9342(3) 0.3001(8) 0.4999(4) 0.071(2) Uani 1 1 d . . . . .
H16A H 0.9460 0.3609 0.4734 0.085 Uiso 1 1 calc R U . . .
H16B H 0.9078 0.3433 0.5103 0.085 Uiso 1 1 calc R U . . .
C17 C 0.9715(3) 0.2771(11) 0.5590(5) 0.102(3) Uani 1 1 d . . . . .
H17A H 0.9590 0.2218 0.5869 0.123 Uiso 1 1 calc R U . . .
H17B H 0.9969 0.2282 0.5491 0.123 Uiso 1 1 calc R U . . .
C18 C 0.9904(3) 0.3982(10) 0.5922(5) 0.102(3) Uani 1 1 d . . . . .
H18A H 1.0145 0.3760 0.6302 0.123 Uiso 1 1 calc R U . . .
H18B H 1.0035 0.4527 0.5654 0.123 Uiso 1 1 calc R U . . .
H18C H 0.9656 0.4462 0.6032 0.123 Uiso 1 1 calc R U . . .
C19 C 0.81522(17) 0.3842(5) 0.5587(2) 0.0272(11) Uani 1 1 d . . . . .
C20 C 0.84797(18) 0.4118(5) 0.6225(2) 0.0316(12) Uani 1 1 d . . . . .
H20A H 0.8786 0.3743 0.6241 0.038 Uiso 1 1 calc R U . . .
H20B H 0.8363 0.3661 0.6542 0.038 Uiso 1 1 calc R U . . .
C21 C 0.8543(2) 0.5563(5) 0.6401(3) 0.0383(13) Uani 1 1 d . . . . .
H21A H 0.8599 0.6057 0.6048 0.046 Uiso 1 1 calc R U . . .
H21B H 0.8255 0.5899 0.6475 0.046 Uiso 1 1 calc R U . . .
C22 C 0.89398(19) 0.5803(5) 0.6976(2) 0.0349(12) Uani 1 1 d . . . . .
H22A H 0.9012 0.6748 0.7002 0.042 Uiso 1 1 calc R U . . .
H22B H 0.9215 0.5335 0.6927 0.042 Uiso 1 1 calc R U . . .
C23 C 0.88494(19) 0.5370(6) 0.7589(2) 0.0389(13) Uani 1 1 d . . . . .
H23A H 0.8575 0.5837 0.7644 0.047 Uiso 1 1 calc R U . . .
H23B H 0.8781 0.4422 0.7570 0.047 Uiso 1 1 calc R U . . .
C24 C 0.9257(2) 0.5642(6) 0.8139(3) 0.0517(16) Uani 1 1 d . . . . .
H24A H 0.9187 0.5353 0.8521 0.062 Uiso 1 1 calc R U . . .
H24B H 0.9527 0.5167 0.8090 0.062 Uiso 1 1 calc R U . . .
H24C H 0.9322 0.6581 0.8164 0.062 Uiso 1 1 calc R U . . .
C25 C 0.7647(2) -0.0188(5) 0.5524(2) 0.0383(13) Uani 1 1 d . . . . .
H25 H 0.7801 0.0432 0.5826 0.046 Uiso 1 1 calc R U . . .
C26 C 0.7619(2) -0.1459(5) 0.5703(2) 0.0415(14) Uani 1 1 d . . . . .
H26 H 0.7751 -0.1712 0.6124 0.050 Uiso 1 1 calc R U . . .
C27 C 0.7401(2) -0.2353(5) 0.5274(2) 0.0362(13) Uani 1 1 d . . . . .
H27 H 0.7381 -0.3240 0.5389 0.043 Uiso 1 1 calc R U . . .
C28 C 0.72097(18) -0.1958(5) 0.4670(2) 0.0321(12) Uani 1 1 d . . . . .
H28 H 0.7051 -0.2565 0.4364 0.039 Uiso 1 1 calc R U . . .
C29 C 0.72516(18) -0.0678(5) 0.4516(2) 0.0305(12) Uani 1 1 d . . . . .
H29 H 0.7125 -0.0410 0.4097 0.037 Uiso 1 1 calc R U . . .
C30 C 0.66307(18) 0.7746(5) 0.3037(2) 0.0314(12) Uani 1 1 d . . . . .
C31 C 0.62004(19) 0.8237(6) 0.3176(3) 0.0400(13) Uani 1 1 d . . . . .
H31A H 0.6285 0.8723 0.3575 0.048 Uiso 1 1 calc R U . . .
H31B H 0.6007 0.7484 0.3224 0.048 Uiso 1 1 calc R U . . .
C32 C 0.5922(2) 0.9134(6) 0.2659(3) 0.0447(14) Uani 1 1 d . . . . .
H32A H 0.5653 0.9481 0.2782 0.054 Uiso 1 1 calc R U . . .
H32B H 0.6117 0.9885 0.2614 0.054 Uiso 1 1 calc R U . . .
C33 C 0.5751(2) 0.8452(6) 0.2034(3) 0.0517(16) Uani 1 1 d . . . . .
H33A H 0.5486 0.7888 0.2042 0.062 Uiso 1 1 calc R U . . .
H33B H 0.5999 0.7880 0.1972 0.062 Uiso 1 1 calc R U . . .
C34 C 0.5603(2) 0.9383(8) 0.1484(3) 0.0646(19) Uani 1 1 d . . . . .
H34A H 0.5396 1.0060 0.1577 0.078 Uiso 1 1 calc R U . . .
H34B H 0.5426 0.8892 0.1113 0.078 Uiso 1 1 calc R U . . .
C35 C 0.6019(3) 1.0046(9) 0.1341(3) 0.079(2) Uani 1 1 d . . . . .
H35A H 0.5911 1.0637 0.0986 0.094 Uiso 1 1 calc R U . . .
H35B H 0.6191 1.0546 0.1705 0.094 Uiso 1 1 calc R U . . .
H35C H 0.6221 0.9379 0.1241 0.094 Uiso 1 1 calc R U . . .
C36 C 0.68021(17) 0.6354(5) 0.1624(2) 0.0299(11) Uani 1 1 d . . . . .
C37 C 0.6464(2) 0.6065(6) 0.1007(2) 0.0401(13) Uani 1 1 d . . . . .
H37A H 0.6569 0.6521 0.0679 0.048 Uiso 1 1 calc R U . . .
H37B H 0.6162 0.6440 0.1008 0.048 Uiso 1 1 calc R U . . .
C38 C 0.6396(3) 0.4645(8) 0.0834(3) 0.075(2) Uani 1 1 d . . . . .
H38A H 0.6354 0.4161 0.1198 0.090 Uiso 1 1 calc R U . . .
H38B H 0.6683 0.4316 0.0752 0.090 Uiso 1 1 calc R U . . .
C39 C 0.5992(3) 0.4317(11) 0.0272(4) 0.100(3) Uani 1 1 d D . . . .
H39A H 0.5902 0.3395 0.0305 0.120 Uiso 1 1 calc R U . . .
H39B H 0.5725 0.4871 0.0284 0.120 Uiso 1 1 calc R U . . .
C40 C 0.6085(4) 0.4490(11) -0.0280(4) 0.106(3) Uani 1 1 d D . . . .
H40A H 0.6361 0.3978 -0.0292 0.128 Uiso 1 1 calc R U . . .
H40B H 0.6148 0.5424 -0.0337 0.128 Uiso 1 1 calc R U . . .
C41 C 0.5640(4) 0.4010(12) -0.0835(4) 0.125(4) Uani 1 1 d . . . . .
H41A H 0.5704 0.4132 -0.1238 0.150 Uiso 1 1 calc R U . . .
H41B H 0.5581 0.3084 -0.0777 0.150 Uiso 1 1 calc R U . . .
H41C H 0.5369 0.4526 -0.0823 0.150 Uiso 1 1 calc R U . . .
C42 C 0.80668(18) 0.6062(5) 0.2397(2) 0.0295(11) Uani 1 1 d . . . . .
C43 C 0.8485(2) 0.5577(6) 0.2214(3) 0.0434(14) Uani 1 1 d . . . . .
H43A H 0.8379 0.4960 0.1862 0.052 Uiso 1 1 calc R U . . .
H43B H 0.8629 0.6330 0.2062 0.052 Uiso 1 1 calc R U . . .
C44 C 0.8829(3) 0.4941(13) 0.2693(5) 0.139(4) Uani 1 1 d . U . . .
H44A H 0.8680 0.4263 0.2888 0.167 Uiso 1 1 calc R U . . .
H44B H 0.8973 0.5588 0.3018 0.167 Uiso 1 1 calc R U . . .
C45 C 0.9210(3) 0.4297(13) 0.2448(6) 0.142(4) Uani 1 1 d D U . . .
H45A H 0.9080 0.4186 0.1994 0.170 Uiso 1 1 calc R U . . .
H45B H 0.9464 0.4941 0.2508 0.170 Uiso 1 1 calc R U . . .
C46 C 0.9415(4) 0.3094(14) 0.2682(6) 0.153(4) Uani 1 1 d D U . . .
H46A H 0.9167 0.2432 0.2622 0.184 Uiso 1 1 calc R U . . .
H46B H 0.9553 0.3191 0.3136 0.184 Uiso 1 1 calc R U . . .
C47 C 0.9761(3) 0.2597(9) 0.2419(4) 0.090(3) Uani 1 1 d . . . . .
H47A H 0.9876 0.1763 0.2617 0.108 Uiso 1 1 calc R U . . .
H47B H 0.9628 0.2462 0.1971 0.108 Uiso 1 1 calc R U . . .
H47C H 1.0016 0.3223 0.2487 0.108 Uiso 1 1 calc R U . . .
C48 C 0.79241(17) 0.7427(5) 0.3811(2) 0.0259(11) Uani 1 1 d . . . . .
C49 C 0.82911(18) 0.7633(5) 0.4410(2) 0.0341(12) Uani 1 1 d . . . . .
H49A H 0.8193 0.7236 0.4757 0.041 Uiso 1 1 calc R U . . .
H49B H 0.8338 0.8580 0.4493 0.041 Uiso 1 1 calc R U . . .
C50 C 0.8741(2) 0.7013(7) 0.4371(3) 0.0529(16) Uani 1 1 d . . . . .
H50A H 0.8861 0.7507 0.4068 0.064 Uiso 1 1 calc R U . . .
H50B H 0.8679 0.6107 0.4215 0.064 Uiso 1 1 calc R U . . .
C51 C 0.9107(3) 0.6991(9) 0.4996(3) 0.074(2) Uani 1 1 d . . . . .
H51A H 0.8990 0.6465 0.5291 0.088 Uiso 1 1 calc R U . . .
H51B H 0.9385 0.6546 0.4942 0.088 Uiso 1 1 calc R U . . .
C52 C 0.9243(3) 0.8297(10) 0.5274(4) 0.097(3) Uani 1 1 d . . . . .
H52A H 0.8965 0.8752 0.5322 0.116 Uiso 1 1 calc R U . . .
H52B H 0.9369 0.8819 0.4985 0.116 Uiso 1 1 calc R U . . .
C53 C 0.9610(3) 0.8235(13) 0.5920(4) 0.134(5) Uani 1 1 d . . . . .
H53A H 0.9686 0.9124 0.6079 0.161 Uiso 1 1 calc R U . . .
H53B H 0.9486 0.7738 0.6211 0.161 Uiso 1 1 calc R U . . .
H53C H 0.9890 0.7805 0.5874 0.161 Uiso 1 1 calc R U . . .
C54 C 0.77172(17) 1.0873(5) 0.2667(2) 0.0278(11) Uani 1 1 d . . . . .
H54 H 0.7852 1.0603 0.3084 0.033 Uiso 1 1 calc R U . . .
C55 C 0.77508(18) 1.2174(5) 0.2518(2) 0.0311(12) Uani 1 1 d . . . . .
H55 H 0.7907 1.2785 0.2824 0.037 Uiso 1 1 calc R U . . .
C56 C 0.75504(19) 1.2561(5) 0.1911(2) 0.0338(12) Uani 1 1 d . . . . .
H56 H 0.7561 1.3449 0.1792 0.041 Uiso 1 1 calc R U . . .
C57 C 0.7334(2) 1.1634(5) 0.1482(2) 0.0366(13) Uani 1 1 d . . . . .
H57 H 0.7197 1.1876 0.1061 0.044 Uiso 1 1 calc R U . . .
C58 C 0.73184(18) 1.0366(5) 0.1665(2) 0.0302(11) Uani 1 1 d . . . . .
H58 H 0.7170 0.9737 0.1364 0.036 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
O5 Rh1 O7 89.21(14) . . ?
O5 Rh1 O1 176.22(13) . . ?
O7 Rh1 O1 91.14(14) . . ?
O5 Rh1 O3 91.88(14) . . ?
O7 Rh1 O3 175.72(13) . . ?
O1 Rh1 O3 87.50(13) . . ?
O5 Rh1 N1 89.94(14) . . ?
O7 Rh1 N1 92.99(14) . . ?
O1 Rh1 N1 93.80(14) . . ?
O3 Rh1 N1 91.15(14) . . ?
O5 Rh1 Rh2 88.02(10) . . ?
O7 Rh1 Rh2 88.21(9) . . ?
O1 Rh1 Rh2 88.22(9) . . ?
O3 Rh1 Rh2 87.69(9) . . ?
N1 Rh1 Rh2 177.62(11) . . ?
O6 Rh2 O2 176.33(13) . . ?
O6 Rh2 O4 91.23(14) . . ?
O2 Rh2 O4 88.15(13) . . ?
O6 Rh2 O8 89.53(14) . . ?
O2 Rh2 O8 90.86(14) . . ?
O4 Rh2 O8 176.26(13) . . ?
O6 Rh2 Rh1 88.33(10) . . ?
O2 Rh2 Rh1 88.03(9) . . ?
O4 Rh2 Rh1 88.19(9) . . ?
O8 Rh2 Rh1 88.17(9) . . ?
O6 Rh2 O15 91.19(12) . . ?
O2 Rh2 O15 92.25(12) . . ?
O4 Rh2 O15 79.16(12) . . ?
O8 Rh2 O15 104.49(12) . . ?
Rh1 Rh2 O15 167.33(8) . . ?
O13 Rh3 O9 176.24(13) . . ?
O13 Rh3 O15 88.70(13) . . ?
O9 Rh3 O15 91.55(14) . . ?
O13 Rh3 O11 90.75(14) . . ?
O9 Rh3 O11 88.77(14) . . ?
O15 Rh3 O11 176.33(13) . . ?
O13 Rh3 O4 91.96(12) . . ?
O9 Rh3 O4 91.77(12) . . ?
O15 Rh3 O4 79.67(12) . . ?
O11 Rh3 O4 103.98(12) . . ?
O13 Rh3 Rh4 87.76(9) . . ?
O9 Rh3 Rh4 88.50(9) . . ?
O15 Rh3 Rh4 88.03(9) . . ?
O11 Rh3 Rh4 88.33(9) . . ?
O4 Rh3 Rh4 167.70(8) . . ?
O10 Rh4 O14 175.84(13) . . ?
O10 Rh4 O16 91.66(14) . . ?
O14 Rh4 O16 88.16(13) . . ?
O10 Rh4 O12 89.45(14) . . ?
O14 Rh4 O12 90.40(13) . . ?
O16 Rh4 O12 175.31(13) . . ?
O10 Rh4 N2 89.78(14) . . ?
O14 Rh4 N2 94.38(13) . . ?
O16 Rh4 N2 91.58(13) . . ?
O12 Rh4 N2 92.99(14) . . ?
O10 Rh4 Rh3 87.47(10) . . ?
O14 Rh4 Rh3 88.37(9) . . ?
O16 Rh4 Rh3 87.63(9) . . ?
O12 Rh4 Rh3 87.87(9) . . ?
N2 Rh4 Rh3 177.11(10) . . ?
C1 O1 Rh1 118.6(3) . . ?
C1 O2 Rh2 119.0(3) . . ?
C7 O3 Rh1 120.3(3) . . ?
C7 O4 Rh2 119.2(3) . . ?
C7 O4 Rh3 139.3(3) . . ?
Rh2 O4 Rh3 100.90(13) . . ?
C13 O5 Rh1 118.6(3) . . ?
C13 O6 Rh2 118.4(3) . . ?
C19 O7 Rh1 118.4(3) . . ?
C19 O8 Rh2 118.4(3) . . ?
C30 O9 Rh3 118.3(3) . . ?
C30 O10 Rh4 119.6(3) . . ?
C36 O11 Rh3 118.8(3) . . ?
C36 O12 Rh4 119.0(3) . . ?
C42 O13 Rh3 119.1(3) . . ?
C42 O14 Rh4 117.9(3) . . ?
C48 O15 Rh3 119.1(3) . . ?
C48 O15 Rh2 139.8(3) . . ?
Rh3 O15 Rh2 100.27(13) . . ?
C48 O16 Rh4 120.2(3) . . ?
C25 N1 C29 118.2(4) . . ?
C25 N1 Rh1 121.2(3) . . ?
C29 N1 Rh1 120.4(3) . . ?
C58 N2 C54 117.9(4) . . ?
C58 N2 Rh4 121.3(3) . . ?
C54 N2 Rh4 120.6(3) . . ?
O2 C1 O1 126.0(5) . . ?
O2 C1 C2 116.5(5) . . ?
O1 C1 C2 117.4(5) . . ?
C3 C2 C1 116.3(5) . . ?
C3 C2 H2A 108.2 . . ?
C1 C2 H2A 108.2 . . ?
C3 C2 H2B 108.2 . . ?
C1 C2 H2B 108.2 . . ?
H2A C2 H2B 107.4 . . ?
C2 C3 C4 115.2(5) . . ?
C2 C3 H3A 108.5 . . ?
C4 C3 H3A 108.5 . . ?
C2 C3 H3B 108.5 . . ?
C4 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C5 C4 C3 117.8(6) . . ?
C5 C4 H4A 107.8 . . ?
C3 C4 H4A 107.8 . . ?
C5 C4 H4B 107.8 . . ?
C3 C4 H4B 107.8 . . ?
H4A C4 H4B 107.2 . . ?
C4 C5 C6 114.3(7) . . ?
C4 C5 H5A 108.7 . . ?
C6 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
C6 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 O4 124.0(4) . . ?
O3 C7 C8 118.6(4) . . ?
O4 C7 C8 117.2(4) . . ?
C7 C8 C9 109.4(4) . . ?
C7 C8 H8A 109.8 . . ?
C9 C8 H8A 109.8 . . ?
C7 C8 H8B 109.8 . . ?
C9 C8 H8B 109.8 . . ?
H8A C8 H8B 108.2 . . ?
C10 C9 C8 113.6(5) . . ?
C10 C9 H9A 108.8 . . ?
C8 C9 H9A 108.8 . . ?
C10 C9 H9B 108.8 . . ?
C8 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C9 C10 C11 114.5(6) . . ?
C9 C10 H10A 108.6 . . ?
C11 C10 H10A 108.6 . . ?
C9 C10 H10B 108.6 . . ?
C11 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
C12 C11 C10 112.6(7) . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O6 C13 O5 126.5(5) . . ?
O6 C13 C14 117.2(5) . . ?
O5 C13 C14 116.3(5) . . ?
C13 C14 C15 111.0(5) . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C14 114.3(7) . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C17 C16 C15 114.4(8) . . ?
C17 C16 H16A 108.7 . . ?
C15 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C15 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C18 C17 C16 113.8(9) . . ?
C18 C17 H17A 108.8 . . ?
C16 C17 H17A 108.8 . . ?
C18 C17 H17B 108.8 . . ?
C16 C17 H17B 108.8 . . ?
H17A C17 H17B 107.7 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O8 C19 O7 126.6(4) . . ?
O8 C19 C20 117.6(4) . . ?
O7 C19 C20 115.8(4) . . ?
C19 C20 C21 115.0(4) . . ?
C19 C20 H20A 108.5 . . ?
C21 C20 H20A 108.5 . . ?
C19 C20 H20B 108.5 . . ?
C21 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 C20 112.8(4) . . ?
C22 C21 H21A 109.0 . . ?
C20 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
C20 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 C23 114.7(4) . . ?
C21 C22 H22A 108.6 . . ?
C23 C22 H22A 108.6 . . ?
C21 C22 H22B 108.6 . . ?
C23 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 111.8(5) . . ?
C24 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C25 C26 122.3(5) . . ?
N1 C25 H25 118.8 . . ?
C26 C25 H25 118.8 . . ?
C27 C26 C25 119.3(5) . . ?
C27 C26 H26 120.4 . . ?
C25 C26 H26 120.4 . . ?
C26 C27 C28 119.2(5) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 H27 120.4 . . ?
C29 C28 C27 119.0(5) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
N1 C29 C28 122.0(5) . . ?
N1 C29 H29 119.0 . . ?
C28 C29 H29 119.0 . . ?
O10 C30 O9 125.6(5) . . ?
O10 C30 C31 116.6(5) . . ?
O9 C30 C31 117.7(5) . . ?
C30 C31 C32 111.6(4) . . ?
C30 C31 H31A 109.3 . . ?
C32 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
C33 C32 C31 113.3(5) . . ?
C33 C32 H32A 108.9 . . ?
C31 C32 H32A 108.9 . . ?
C33 C32 H32B 108.9 . . ?
C31 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 C34 113.9(6) . . ?
C32 C33 H33A 108.8 . . ?
C34 C33 H33A 108.8 . . ?
C32 C33 H33B 108.8 . . ?
C34 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 C35 111.7(6) . . ?
C33 C34 H34A 109.3 . . ?
C35 C34 H34A 109.3 . . ?
C33 C34 H34B 109.3 . . ?
C35 C34 H34B 109.3 . . ?
H34A C34 H34B 107.9 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O11 C36 O12 125.8(5) . . ?
O11 C36 C37 117.2(5) . . ?
O12 C36 C37 117.0(5) . . ?
C36 C37 C38 115.9(5) . . ?
C36 C37 H37A 108.3 . . ?
C38 C37 H37A 108.3 . . ?
C36 C37 H37B 108.3 . . ?
C38 C37 H37B 108.3 . . ?
H37A C37 H37B 107.4 . . ?
C37 C38 C39 116.5(7) . . ?
C37 C38 H38A 108.2 . . ?
C39 C38 H38A 108.2 . . ?
C37 C38 H38B 108.2 . . ?
C39 C38 H38B 108.2 . . ?
H38A C38 H38B 107.3 . . ?
C40 C39 C38 113.8(8) . . ?
C40 C39 H39A 108.8 . . ?
C38 C39 H39A 108.8 . . ?
C40 C39 H39B 108.8 . . ?
C38 C39 H39B 108.8 . . ?
H39A C39 H39B 107.7 . . ?
C39 C40 C41 108.8(9) . . ?
C39 C40 H40A 109.9 . . ?
C41 C40 H40A 109.9 . . ?
C39 C40 H40B 109.9 . . ?
C41 C40 H40B 109.9 . . ?
H40A C40 H40B 108.3 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O13 C42 O14 126.5(5) . . ?
O13 C42 C43 117.2(5) . . ?
O14 C42 C43 116.3(4) . . ?
C44 C43 C42 115.7(6) . . ?
C44 C43 H43A 108.4 . . ?
C42 C43 H43A 108.4 . . ?
C44 C43 H43B 108.4 . . ?
C42 C43 H43B 108.4 . . ?
H43A C43 H43B 107.4 . . ?
C43 C44 C45 112.6(8) . . ?
C43 C44 H44A 109.1 . . ?
C45 C44 H44A 109.1 . . ?
C43 C44 H44B 109.1 . . ?
C45 C44 H44B 109.1 . . ?
H44A C44 H44B 107.8 . . ?
C46 C45 C44 122.0(9) . . ?
C46 C45 H45A 106.8 . . ?
C44 C45 H45A 106.8 . . ?
C46 C45 H45B 106.8 . . ?
C44 C45 H45B 106.8 . . ?
H45A C45 H45B 106.7 . . ?
C45 C46 C47 116.9(10) . . ?
C45 C46 H46A 108.1 . . ?
C47 C46 H46A 108.1 . . ?
C45 C46 H46B 108.1 . . ?
C47 C46 H46B 108.1 . . ?
H46A C46 H46B 107.3 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O16 C48 O15 124.3(4) . . ?
O16 C48 C49 118.8(4) . . ?
O15 C48 C49 116.8(4) . . ?
C48 C49 C50 109.9(4) . . ?
C48 C49 H49A 109.7 . . ?
C50 C49 H49A 109.7 . . ?
C48 C49 H49B 109.7 . . ?
C50 C49 H49B 109.7 . . ?
H49A C49 H49B 108.2 . . ?
C49 C50 C51 112.6(5) . . ?
C49 C50 H50A 109.1 . . ?
C51 C50 H50A 109.1 . . ?
C49 C50 H50B 109.1 . . ?
C51 C50 H50B 109.1 . . ?
H50A C50 H50B 107.8 . . ?
C52 C51 C50 114.7(7) . . ?
C52 C51 H51A 108.6 . . ?
C50 C51 H51A 108.6 . . ?
C52 C51 H51B 108.6 . . ?
C50 C51 H51B 108.6 . . ?
H51A C51 H51B 107.6 . . ?
C51 C52 C53 113.3(9) . . ?
C51 C52 H52A 108.9 . . ?
C53 C52 H52A 108.9 . . ?
C51 C52 H52B 108.9 . . ?
C53 C52 H52B 108.9 . . ?
H52A C52 H52B 107.7 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N2 C54 C55 123.1(5) . . ?
N2 C54 H54 118.4 . . ?
C55 C54 H54 118.4 . . ?
C56 C55 C54 118.1(5) . . ?
C56 C55 H55 121.0 . . ?
C54 C55 H55 121.0 . . ?
C57 C56 C55 118.8(5) . . ?
C57 C56 H56 120.6 . . ?
C55 C56 H56 120.6 . . ?
C58 C57 C56 119.6(5) . . ?
C58 C57 H57 120.2 . . ?
C56 C57 H57 120.2 . . ?
N2 C58 C57 122.5(5) . . ?
N2 C58 H58 118.7 . . ?
C57 C58 H58 118.7 . . ?
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 O5 2.030(3) . ?
Rh1 O7 2.035(3) . ?
Rh1 O1 2.039(3) . ?
Rh1 O3 2.047(3) . ?
Rh1 N1 2.198(4) . ?
Rh1 Rh2 2.3884(5) . ?
Rh2 O6 2.031(3) . ?
Rh2 O2 2.038(3) . ?
Rh2 O4 2.039(3) . ?
Rh2 O8 2.040(3) . ?
Rh2 O15 2.392(3) . ?
Rh3 O13 2.036(3) . ?
Rh3 O9 2.036(3) . ?
Rh3 O15 2.037(3) . ?
Rh3 O11 2.038(3) . ?
Rh3 O4 2.372(3) . ?
Rh3 Rh4 2.3877(5) . ?
Rh4 O10 2.034(3) . ?
Rh4 O14 2.036(3) . ?
Rh4 O16 2.038(3) . ?
Rh4 O12 2.042(3) . ?
Rh4 N2 2.188(4) . ?
O1 C1 1.268(6) . ?
O2 C1 1.264(6) . ?
O3 C7 1.256(6) . ?
O4 C7 1.285(6) . ?
O5 C13 1.269(6) . ?
O6 C13 1.262(6) . ?
O7 C19 1.270(6) . ?
O8 C19 1.261(6) . ?
O9 C30 1.270(6) . ?
O10 C30 1.260(6) . ?
O11 C36 1.264(6) . ?
O12 C36 1.270(6) . ?
O13 C42 1.253(6) . ?
O14 C42 1.272(6) . ?
O15 C48 1.277(6) . ?
O16 C48 1.256(5) . ?
N1 C25 1.335(6) . ?
N1 C29 1.341(6) . ?
N2 C58 1.336(6) . ?
N2 C54 1.338(6) . ?
C1 C2 1.508(7) . ?
C2 C3 1.472(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.529(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.438(10) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.501(9) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.485(7) . ?
C8 C9 1.536(8) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.514(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.522(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.478(11) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.513(7) . ?
C14 C15 1.524(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.506(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.498(11) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.476(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.522(7) . ?
C20 C21 1.528(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.515(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.535(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.505(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.371(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.358(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.375(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.369(7) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.501(7) . ?
C31 C32 1.533(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.520(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.522(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.535(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.500(7) . ?
C37 C38 1.503(9) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.528(10) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.351(11) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.630(12) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.512(7) . ?
C43 C44 1.427(10) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.550(12) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.411(14) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.426(12) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.498(7) . ?
C49 C50 1.520(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.524(9) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.483(11) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.560(11) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.383(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.382(7) . ?
C55 H55 0.9500 . ?
C56 C57 1.379(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.365(7) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
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
Rh2 O2 C1 O1 1.8(7) . . . . ?
Rh2 O2 C1 C2 -179.5(4) . . . . ?
Rh1 O1 C1 O2 -4.7(7) . . . . ?
Rh1 O1 C1 C2 176.7(4) . . . . ?
O2 C1 C2 C3 41.5(8) . . . . ?
O1 C1 C2 C3 -139.8(6) . . . . ?
C1 C2 C3 C4 -177.8(6) . . . . ?
C2 C3 C4 C5 173.6(8) . . . . ?
C3 C4 C5 C6 -178.9(7) . . . . ?
Rh1 O3 C7 O4 6.0(7) . . . . ?
Rh1 O3 C7 C8 -169.0(3) . . . . ?
Rh2 O4 C7 O3 -9.6(6) . . . . ?
Rh3 O4 C7 O3 -179.5(3) . . . . ?
Rh2 O4 C7 C8 165.5(3) . . . . ?
Rh3 O4 C7 C8 -4.4(7) . . . . ?
O3 C7 C8 C9 91.0(6) . . . . ?
O4 C7 C8 C9 -84.4(6) . . . . ?
C7 C8 C9 C10 -178.5(5) . . . . ?
C8 C9 C10 C11 -177.5(6) . . . . ?
C9 C10 C11 C12 68.5(9) . . . . ?
Rh2 O6 C13 O5 0.9(7) . . . . ?
Rh2 O6 C13 C14 -177.8(4) . . . . ?
Rh1 O5 C13 O6 -3.7(7) . . . . ?
Rh1 O5 C13 C14 175.0(4) . . . . ?
O6 C13 C14 C15 104.6(6) . . . . ?
O5 C13 C14 C15 -74.2(7) . . . . ?
C13 C14 C15 C16 -66.6(8) . . . . ?
C14 C15 C16 C17 179.3(7) . . . . ?
C15 C16 C17 C18 175.8(8) . . . . ?
Rh2 O8 C19 O7 -3.3(7) . . . . ?
Rh2 O8 C19 C20 175.0(3) . . . . ?
Rh1 O7 C19 O8 0.1(7) . . . . ?
Rh1 O7 C19 C20 -178.2(3) . . . . ?
O8 C19 C20 C21 21.4(7) . . . . ?
O7 C19 C20 C21 -160.1(5) . . . . ?
C19 C20 C21 C22 -168.4(4) . . . . ?
C20 C21 C22 C23 -72.4(6) . . . . ?
C21 C22 C23 C24 -179.8(5) . . . . ?
C29 N1 C25 C26 -0.3(8) . . . . ?
Rh1 N1 C25 C26 -175.3(4) . . . . ?
N1 C25 C26 C27 0.2(9) . . . . ?
C25 C26 C27 C28 -0.7(9) . . . . ?
C26 C27 C28 C29 1.2(8) . . . . ?
C25 N1 C29 C28 0.8(8) . . . . ?
Rh1 N1 C29 C28 175.9(4) . . . . ?
C27 C28 C29 N1 -1.3(8) . . . . ?
Rh4 O10 C30 O9 6.4(7) . . . . ?
Rh4 O10 C30 C31 -172.5(3) . . . . ?
Rh3 O9 C30 O10 -0.9(7) . . . . ?
Rh3 O9 C30 C31 178.0(3) . . . . ?
O10 C30 C31 C32 45.7(7) . . . . ?
O9 C30 C31 C32 -133.3(5) . . . . ?
C30 C31 C32 C33 62.3(7) . . . . ?
C31 C32 C33 C34 -162.8(5) . . . . ?
C32 C33 C34 C35 72.7(8) . . . . ?
Rh3 O11 C36 O12 4.7(7) . . . . ?
Rh3 O11 C36 C37 -173.6(4) . . . . ?
Rh4 O12 C36 O11 -0.2(7) . . . . ?
Rh4 O12 C36 C37 178.1(3) . . . . ?
O11 C36 C37 C38 -21.4(8) . . . . ?
O12 C36 C37 C38 160.2(6) . . . . ?
C36 C37 C38 C39 168.8(6) . . . . ?
C37 C38 C39 C40 81.6(11) . . . . ?
C38 C39 C40 C41 176.0(8) . . . . ?
Rh3 O13 C42 O14 0.3(7) . . . . ?
Rh3 O13 C42 C43 -178.5(3) . . . . ?
Rh4 O14 C42 O13 4.6(7) . . . . ?
Rh4 O14 C42 C43 -176.5(3) . . . . ?
O13 C42 C43 C44 -51.5(9) . . . . ?
O14 C42 C43 C44 129.5(8) . . . . ?
C42 C43 C44 C45 171.7(9) . . . . ?
C43 C44 C45 C46 -143.0(14) . . . . ?
C44 C45 C46 C47 179.8(12) . . . . ?
Rh4 O16 C48 O15 -3.8(7) . . . . ?
Rh4 O16 C48 C49 173.8(3) . . . . ?
Rh3 O15 C48 O16 9.5(6) . . . . ?
Rh2 O15 C48 O16 176.7(3) . . . . ?
Rh3 O15 C48 C49 -168.2(3) . . . . ?
Rh2 O15 C48 C49 -1.0(7) . . . . ?
O16 C48 C49 C50 -92.9(6) . . . . ?
O15 C48 C49 C50 84.9(6) . . . . ?
C48 C49 C50 C51 -170.7(5) . . . . ?
C49 C50 C51 C52 -60.6(9) . . . . ?
C50 C51 C52 C53 178.7(7) . . . . ?
C58 N2 C54 C55 0.5(7) . . . . ?
Rh4 N2 C54 C55 -174.5(4) . . . . ?
N2 C54 C55 C56 0.5(8) . . . . ?
C54 C55 C56 C57 -1.1(8) . . . . ?
C55 C56 C57 C58 0.7(8) . . . . ?
C54 N2 C58 C57 -0.9(7) . . . . ?
Rh4 N2 C58 C57 174.0(4) . . . . ?
C56 C57 C58 N2 0.4(8) . . . . ?
