#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:21:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179748 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/44/7004400.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_7004400
loop_
_publ_author_name
'Jones, Cameron'
'Mills, David P.'
'Stasch, Andreas'
_publ_section_title
;
 Flexible coordination of bulky amidinates and guanidinates towards
 rhodium(i): conversion of kinetic to thermodymanic isomers
;
_journal_issue                   35
_journal_name_full               'Dalton Transactions'
_journal_page_first              4799
_journal_page_last               4804
_journal_paper_doi               10.1039/b806542j
_journal_year                    2008
_chemical_formula_sum            'C51 H82 N3 Rh'
_chemical_formula_weight         840.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.4440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1799(3)
_cell_length_b                   23.6855(4)
_cell_length_c                   16.3738(3)
_cell_measurement_temperature    123(2)
_cell_volume                     4629.72(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker X8 CCD'
_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  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            52844
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.405
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.823
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.205
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         10698
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0336P)²+4.4387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0766
_reflns_number_gt                9407
_reflns_number_total             10698
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806542j.txt
_cod_data_source_block           compound8
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7004400
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.771652(10) 0.143160(5) -0.007432(8) 0.01245(4) Uani 1 1 d . . .
N1 N 0.70235(11) 0.10540(6) -0.12130(8) 0.0131(3) Uani 1 1 d . . .
N2 N 0.81587(11) 0.17828(6) -0.11374(8) 0.0134(3) Uani 1 1 d . . .
N3 N 0.74333(12) 0.13987(6) -0.25113(9) 0.0143(3) Uani 1 1 d . . .
C1 C 0.75350(13) 0.14107(6) -0.16580(10) 0.0123(3) Uani 1 1 d . . .
C2 C 0.59474(13) 0.08067(7) -0.14734(10) 0.0139(3) Uani 1 1 d . . .
C3 C 0.58268(14) 0.02202(7) -0.13843(10) 0.0151(3) Uani 1 1 d . . .
C4 C 0.47734(15) -0.00227(8) -0.16480(11) 0.0201(3) Uani 1 1 d . . .
H4 H 0.4694 -0.0420 -0.1611 0.024 Uiso 1 1 calc R . .
C5 C 0.38434(15) 0.03018(8) -0.19615(12) 0.0237(4) Uani 1 1 d . . .
H5 H 0.3135 0.0128 -0.2149 0.028 Uiso 1 1 calc R . .
C6 C 0.39520(15) 0.08813(8) -0.19997(11) 0.0221(4) Uani 1 1 d . . .
H6 H 0.3306 0.1105 -0.2195 0.026 Uiso 1 1 calc R . .
C7 C 0.49897(14) 0.11457(7) -0.17572(10) 0.0171(3) Uani 1 1 d . . .
C8 C 0.67971(14) -0.01573(7) -0.09796(11) 0.0168(3) Uani 1 1 d . . .
H8 H 0.7465 0.0087 -0.0778 0.020 Uiso 1 1 calc R . .
C9 C 0.71091(19) -0.05931(9) -0.15864(12) 0.0305(4) Uani 1 1 d . . .
H9A H 0.7722 -0.0830 -0.1295 0.046 Uiso 1 1 calc R . .
H9B H 0.7348 -0.0398 -0.2049 0.046 Uiso 1 1 calc R . .
H9C H 0.6457 -0.0830 -0.1803 0.046 Uiso 1 1 calc R . .
C10 C 0.65043(16) -0.04663(8) -0.02279(11) 0.0223(4) Uani 1 1 d . . .
H10A H 0.6262 -0.0192 0.0147 0.033 Uiso 1 1 calc R . .
H10B H 0.7166 -0.0669 0.0070 0.033 Uiso 1 1 calc R . .
H10C H 0.5898 -0.0736 -0.0420 0.033 Uiso 1 1 calc R . .
C11 C 0.50533(15) 0.17870(7) -0.17712(12) 0.0214(4) Uani 1 1 d . . .
H11 H 0.5809 0.1892 -0.1876 0.026 Uiso 1 1 calc R . .
C12 C 0.4955(2) 0.20270(9) -0.09240(14) 0.0346(5) Uani 1 1 d . . .
H12A H 0.4239 0.1912 -0.0790 0.052 Uiso 1 1 calc R . .
H12B H 0.4993 0.2440 -0.0941 0.052 Uiso 1 1 calc R . .
H12C H 0.5572 0.1884 -0.0497 0.052 Uiso 1 1 calc R . .
C13 C 0.41758(17) 0.20573(9) -0.24571(14) 0.0314(4) Uani 1 1 d . . .
H13A H 0.3430 0.2008 -0.2327 0.047 Uiso 1 1 calc R . .
H13B H 0.4199 0.1876 -0.2992 0.047 Uiso 1 1 calc R . .
H13C H 0.4336 0.2461 -0.2492 0.047 Uiso 1 1 calc R . .
C14 C 0.92093(13) 0.20149(7) -0.12174(10) 0.0144(3) Uani 1 1 d . . .
C15 C 0.93601(15) 0.26018(7) -0.11342(10) 0.0183(3) Uani 1 1 d . . .
C16 C 1.03905(16) 0.28340(8) -0.12074(12) 0.0256(4) Uani 1 1 d . . .
H16 H 1.0490 0.3232 -0.1171 0.031 Uiso 1 1 calc R . .
C17 C 1.12655(16) 0.24973(9) -0.13308(12) 0.0284(4) Uani 1 1 d . . .
H17 H 1.1956 0.2663 -0.1391 0.034 Uiso 1 1 calc R . .
C18 C 1.11337(15) 0.19185(9) -0.13660(11) 0.0243(4) Uani 1 1 d . . .
H18 H 1.1749 0.1688 -0.1428 0.029 Uiso 1 1 calc R . .
C19 C 1.01182(14) 0.16653(7) -0.13122(10) 0.0177(3) Uani 1 1 d . . .
C20 C 0.84479(16) 0.29899(7) -0.09435(11) 0.0210(4) Uani 1 1 d . . .
H20 H 0.7803 0.2751 -0.0859 0.025 Uiso 1 1 calc R . .
C21 C 0.88767(18) 0.33196(8) -0.01366(12) 0.0275(4) Uani 1 1 d . . .
H21A H 0.9477 0.3576 -0.0219 0.041 Uiso 1 1 calc R . .
H21B H 0.9167 0.3055 0.0314 0.041 Uiso 1 1 calc R . .
H21C H 0.8261 0.3539 0.0010 0.041 Uiso 1 1 calc R . .
C22 C 0.8023(2) 0.34051(9) -0.16519(13) 0.0347(5) Uani 1 1 d . . .
H22A H 0.8646 0.3640 -0.1751 0.052 Uiso 1 1 calc R . .
H22B H 0.7443 0.3647 -0.1498 0.052 Uiso 1 1 calc R . .
H22C H 0.7707 0.3195 -0.2160 0.052 Uiso 1 1 calc R . .
C23 C 1.00137(15) 0.10257(8) -0.13400(12) 0.0220(4) Uani 1 1 d . . .
H23 H 0.9228 0.0933 -0.1618 0.026 Uiso 1 1 calc R . .
C24 C 1.07966(18) 0.07420(9) -0.18415(14) 0.0318(4) Uani 1 1 d . . .
H24A H 1.0731 0.0932 -0.2381 0.048 Uiso 1 1 calc R . .
H24B H 1.0588 0.0344 -0.1932 0.048 Uiso 1 1 calc R . .
H24C H 1.1571 0.0768 -0.1533 0.048 Uiso 1 1 calc R . .
C25 C 1.02075(18) 0.07803(9) -0.04572(14) 0.0342(5) Uani 1 1 d . . .
H25A H 1.0955 0.0887 -0.0154 0.051 Uiso 1 1 calc R . .
H25B H 1.0150 0.0368 -0.0488 0.051 Uiso 1 1 calc R . .
H25C H 0.9641 0.0929 -0.0165 0.051 Uiso 1 1 calc R . .
C26 C 0.71459(15) 0.08523(7) -0.29493(11) 0.0181(3) Uani 1 1 d . . .
H26 H 0.7180 0.0563 -0.2501 0.022 Uiso 1 1 calc R . .
C27 C 0.80044(17) 0.06649(8) -0.34639(12) 0.0244(4) Uani 1 1 d . . .
H27A H 0.7955 0.0915 -0.3954 0.029 Uiso 1 1 calc R . .
H27B H 0.8769 0.0697 -0.3122 0.029 Uiso 1 1 calc R . .
C28 C 0.7789(2) 0.00541(9) -0.37553(13) 0.0338(5) Uani 1 1 d . . .
H28A H 0.8330 -0.0054 -0.4106 0.041 Uiso 1 1 calc R . .
H28B H 0.7904 -0.0199 -0.3265 0.041 Uiso 1 1 calc R . .
C29 C 0.6599(2) -0.00191(9) -0.42536(13) 0.0392(6) Uani 1 1 d . . .
H29A H 0.6516 0.0193 -0.4783 0.047 Uiso 1 1 calc R . .
H29B H 0.6461 -0.0423 -0.4391 0.047 Uiso 1 1 calc R . .
C30 C 0.5740(2) 0.01911(9) -0.37669(13) 0.0356(5) Uani 1 1 d . . .
H30A H 0.5762 -0.0051 -0.3271 0.043 Uiso 1 1 calc R . .
H30B H 0.4981 0.0162 -0.4120 0.043 Uiso 1 1 calc R . .
C31 C 0.59679(16) 0.08052(8) -0.34889(11) 0.0250(4) Uani 1 1 d . . .
H31A H 0.5907 0.1052 -0.3984 0.030 Uiso 1 1 calc R . .
H31B H 0.5405 0.0930 -0.3166 0.030 Uiso 1 1 calc R . .
C32 C 0.76645(14) 0.19244(7) -0.29464(10) 0.0153(3) Uani 1 1 d . . .
H32 H 0.7722 0.2233 -0.2523 0.018 Uiso 1 1 calc R . .
C33 C 0.87692(14) 0.19377(7) -0.32658(11) 0.0181(3) Uani 1 1 d . . .
H33A H 0.9394 0.1819 -0.2815 0.022 Uiso 1 1 calc R . .
H33B H 0.8726 0.1670 -0.3735 0.022 Uiso 1 1 calc R . .
C34 C 0.89908(15) 0.25326(8) -0.35557(12) 0.0232(4) Uani 1 1 d . . .
H34A H 0.9070 0.2796 -0.3079 0.028 Uiso 1 1 calc R . .
H34B H 0.9702 0.2535 -0.3762 0.028 Uiso 1 1 calc R . .
C35 C 0.80403(16) 0.27304(8) -0.42466(12) 0.0241(4) Uani 1 1 d . . .
H35A H 0.8026 0.2497 -0.4750 0.029 Uiso 1 1 calc R . .
H35B H 0.8175 0.3127 -0.4391 0.029 Uiso 1 1 calc R . .
C36 C 0.69101(16) 0.26879(8) -0.39827(12) 0.0235(4) Uani 1 1 d . . .
H36A H 0.6306 0.2780 -0.4464 0.028 Uiso 1 1 calc R . .
H36B H 0.6881 0.2968 -0.3539 0.028 Uiso 1 1 calc R . .
C37 C 0.67087(14) 0.20958(8) -0.36626(11) 0.0198(3) Uani 1 1 d . . .
H37A H 0.6655 0.1820 -0.4123 0.024 Uiso 1 1 calc R . .
H37B H 0.5991 0.2091 -0.3466 0.024 Uiso 1 1 calc R . .
C38 C 0.77686(15) 0.08105(7) 0.08650(10) 0.0190(3) Uani 1 1 d . . .
H38 H 0.7955 0.0550 0.0472 0.023 Uiso 1 1 calc R . .
C39 C 0.67074(15) 0.10607(7) 0.06947(11) 0.0183(3) Uani 1 1 d . . .
H39 H 0.6204 0.0950 0.0200 0.022 Uiso 1 1 calc R . .
C40 C 0.63117(16) 0.14958(8) 0.12477(12) 0.0222(4) Uani 1 1 d . . .
H40A H 0.6176 0.1308 0.1759 0.027 Uiso 1 1 calc R . .
H40B H 0.5592 0.1657 0.0952 0.027 Uiso 1 1 calc R . .
C41 C 0.71623(15) 0.19763(8) 0.14939(11) 0.0215(4) Uani 1 1 d . . .
H41A H 0.6756 0.2328 0.1571 0.026 Uiso 1 1 calc R . .
H41B H 0.7658 0.1883 0.2032 0.026 Uiso 1 1 calc R . .
C42 C 0.78755(14) 0.20760(7) 0.08396(10) 0.0169(3) Uani 1 1 d . . .
H42 H 0.7595 0.2322 0.0389 0.020 Uiso 1 1 calc R . .
C43 C 0.89209(14) 0.18240(7) 0.08685(10) 0.0182(3) Uani 1 1 d . . .
H43 H 0.9323 0.1926 0.0450 0.022 Uiso 1 1 calc R . .
C44 C 0.94566(16) 0.14016(8) 0.15170(12) 0.0249(4) Uani 1 1 d . . .
H44A H 0.9726 0.1600 0.2051 0.030 Uiso 1 1 calc R . .
H44B H 1.0113 0.1230 0.1341 0.030 Uiso 1 1 calc R . .
C45 C 0.86398(17) 0.09343(8) 0.16492(12) 0.0255(4) Uani 1 1 d . . .
H45A H 0.9067 0.0585 0.1829 0.031 Uiso 1 1 calc R . .
H45B H 0.8253 0.1048 0.2101 0.031 Uiso 1 1 calc R . .
C46 C 1.2340(8) 0.4093(5) -0.1224(7) 0.100(4) Uiso 0.627(4) 1 d PD A 1
H46A H 1.2326 0.3816 -0.1671 0.150 Uiso 0.627(4) 1 calc PR A 1
H46B H 1.1852 0.4412 -0.1434 0.150 Uiso 0.627(4) 1 calc PR A 1
H46C H 1.2073 0.3915 -0.0759 0.150 Uiso 0.627(4) 1 calc PR A 1
C47 C 1.3433(4) 0.4286(2) -0.0950(3) 0.0504(11) Uiso 0.627(4) 1 d PD A 1
H47A H 1.3482 0.4534 -0.0457 0.061 Uiso 0.627(4) 1 calc PR A 1
H47B H 1.3696 0.4498 -0.1396 0.061 Uiso 0.627(4) 1 calc PR A 1
C48 C 1.4148(4) 0.37267(19) -0.0717(3) 0.0459(10) Uiso 0.627(4) 1 d PD A 1
H48A H 1.3763 0.3495 -0.0356 0.055 Uiso 0.627(4) 1 calc PR A 1
H48B H 1.4125 0.3511 -0.1238 0.055 Uiso 0.627(4) 1 calc PR A 1
C49 C 1.5377(5) 0.3780(2) -0.0281(3) 0.0615(13) Uiso 0.627(4) 1 d PD A 1
H49A H 1.5679 0.3395 -0.0149 0.074 Uiso 0.627(4) 1 calc PR A 1
H49B H 1.5798 0.3950 -0.0677 0.074 Uiso 0.627(4) 1 calc PR A 1
C50 C 1.5598(4) 0.41194(19) 0.0501(3) 0.0498(11) Uiso 0.627(4) 1 d PD A 1
H50A H 1.5162 0.3952 0.0891 0.060 Uiso 0.627(4) 1 calc PR A 1
H50B H 1.5302 0.4505 0.0365 0.060 Uiso 0.627(4) 1 calc PR A 1
C51 C 1.6807(4) 0.4172(2) 0.0956(3) 0.0584(13) Uiso 0.627(4) 1 d PD A 1
H51A H 1.7097 0.3798 0.1142 0.088 Uiso 0.627(4) 1 calc PR A 1
H51B H 1.6846 0.4420 0.1440 0.088 Uiso 0.627(4) 1 calc PR A 1
H51C H 1.7258 0.4332 0.0579 0.088 Uiso 0.627(4) 1 calc PR A 1
C46A C 1.2199(7) 0.4152(4) -0.1294(5) 0.0282(17) Uiso 0.373(4) 1 d PD A 2
H46D H 1.2304 0.4545 -0.1449 0.042 Uiso 0.373(4) 1 calc PR A 2
H46E H 1.1617 0.4133 -0.0959 0.042 Uiso 0.373(4) 1 calc PR A 2
H46F H 1.1971 0.3924 -0.1799 0.042 Uiso 0.373(4) 1 calc PR A 2
C47A C 1.3288(13) 0.3924(9) -0.0792(12) 0.169(8) Uiso 0.373(4) 1 d PD A 2
H47C H 1.3298 0.4006 -0.0197 0.203 Uiso 0.373(4) 1 calc PR A 2
H47D H 1.3273 0.3508 -0.0854 0.203 Uiso 0.373(4) 1 calc PR A 2
C48A C 1.4334(15) 0.4123(9) -0.0977(9) 0.158(7) Uiso 0.373(4) 1 d PD A 2
H48C H 1.4325 0.4526 -0.1136 0.189 Uiso 0.373(4) 1 calc PR A 2
H48D H 1.4630 0.3884 -0.1380 0.189 Uiso 0.373(4) 1 calc PR A 2
C49A C 1.4848(8) 0.4015(4) -0.0112(6) 0.070(3) Uiso 0.373(4) 1 d PD A 2
H49C H 1.4251 0.3855 0.0150 0.084 Uiso 0.373(4) 1 calc PR A 2
H49D H 1.5032 0.4390 0.0148 0.084 Uiso 0.373(4) 1 calc PR A 2
C50A C 1.5860(11) 0.3653(6) 0.0169(8) 0.109(4) Uiso 0.373(4) 1 d PD A 2
H50C H 1.5623 0.3256 0.0061 0.131 Uiso 0.373(4) 1 calc PR A 2
H50D H 1.6394 0.3739 -0.0198 0.131 Uiso 0.373(4) 1 calc PR A 2
C51A C 1.6461(7) 0.3684(4) 0.1003(5) 0.057(2) Uiso 0.373(4) 1 d PD A 2
H51D H 1.6757 0.4067 0.1118 0.086 Uiso 0.373(4) 1 calc PR A 2
H51E H 1.7082 0.3414 0.1083 0.086 Uiso 0.373(4) 1 calc PR A 2
H51F H 1.5959 0.3593 0.1383 0.086 Uiso 0.373(4) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Rh1 N2 63.46(5) . . ?
N1 Rh1 C39 100.01(6) . . ?
N2 Rh1 C39 159.19(6) . . ?
N1 Rh1 C42 154.51(6) . . ?
N2 Rh1 C42 107.36(6) . . ?
C39 Rh1 C42 82.03(6) . . ?
N1 Rh1 C38 107.40(6) . . ?
N2 Rh1 C38 154.57(6) . . ?
C39 Rh1 C38 38.55(7) . . ?
C42 Rh1 C38 90.12(7) . . ?
N1 Rh1 C43 159.33(6) . . ?
N2 Rh1 C43 100.14(6) . . ?
C39 Rh1 C43 98.53(7) . . ?
C42 Rh1 C43 38.51(6) . . ?
C38 Rh1 C43 81.91(7) . . ?
C1 N1 C2 126.46(14) . . ?
C1 N1 Rh1 93.79(10) . . ?
C2 N1 Rh1 129.00(10) . . ?
C1 N2 C14 126.71(14) . . ?
C1 N2 Rh1 93.45(10) . . ?
C14 N2 Rh1 127.92(10) . . ?
C1 N3 C26 118.15(13) . . ?
C1 N3 C32 118.71(13) . . ?
C26 N3 C32 123.08(13) . . ?
N1 C1 N2 109.31(14) . . ?
N1 C1 N3 125.28(14) . . ?
N2 C1 N3 125.41(14) . . ?
C3 C2 C7 119.83(15) . . ?
C3 C2 N1 118.98(14) . . ?
C7 C2 N1 121.00(14) . . ?
C4 C3 C2 118.92(15) . . ?
C4 C3 C8 118.63(15) . . ?
C2 C3 C8 122.41(14) . . ?
C5 C4 C3 121.48(16) . . ?
C4 C5 C6 119.40(16) . . ?
C5 C6 C7 121.49(17) . . ?
C6 C7 C2 118.64(16) . . ?
C6 C7 C11 119.32(15) . . ?
C2 C7 C11 122.00(15) . . ?
C3 C8 C9 112.58(15) . . ?
C3 C8 C10 110.18(14) . . ?
C9 C8 C10 109.03(14) . . ?
C7 C11 C12 110.18(15) . . ?
C7 C11 C13 113.51(16) . . ?
C12 C11 C13 110.03(16) . . ?
C15 C14 C19 119.94(15) . . ?
C15 C14 N2 118.43(15) . . ?
C19 C14 N2 121.44(14) . . ?
C16 C15 C14 118.92(17) . . ?
C16 C15 C20 119.00(16) . . ?
C14 C15 C20 122.06(15) . . ?
C17 C16 C15 121.27(18) . . ?
C16 C17 C18 119.61(17) . . ?
C17 C18 C19 121.49(18) . . ?
C18 C19 C14 118.60(16) . . ?
C18 C19 C23 119.82(16) . . ?
C14 C19 C23 121.57(15) . . ?
C15 C20 C22 112.56(16) . . ?
C15 C20 C21 110.28(15) . . ?
C22 C20 C21 109.38(15) . . ?
C19 C23 C24 113.32(16) . . ?
C19 C23 C25 110.70(16) . . ?
C24 C23 C25 110.10(15) . . ?
N3 C26 C31 116.43(15) . . ?
N3 C26 C27 113.33(14) . . ?
C31 C26 C27 108.95(15) . . ?
C28 C27 C26 110.59(16) . . ?
C29 C28 C27 111.13(18) . . ?
C30 C29 C28 111.23(17) . . ?
C29 C30 C31 111.32(17) . . ?
C26 C31 C30 109.50(17) . . ?
N3 C32 C37 113.59(13) . . ?
N3 C32 C33 116.18(13) . . ?
C37 C32 C33 108.48(13) . . ?
C34 C33 C32 110.18(14) . . ?
C35 C34 C33 111.06(15) . . ?
C34 C35 C36 111.41(15) . . ?
C35 C36 C37 111.81(15) . . ?
C36 C37 C32 110.78(14) . . ?
C39 C38 C45 123.23(16) . . ?
C39 C38 Rh1 70.60(10) . . ?
C45 C38 Rh1 113.17(12) . . ?
C38 C39 C40 124.13(16) . . ?
C38 C39 Rh1 70.84(10) . . ?
C40 C39 Rh1 111.41(11) . . ?
C39 C40 C41 112.52(14) . . ?
C42 C41 C40 112.22(14) . . ?
C43 C42 C41 123.48(16) . . ?
C43 C42 Rh1 70.82(9) . . ?
C41 C42 Rh1 113.54(11) . . ?
C42 C43 C44 124.76(16) . . ?
C42 C43 Rh1 70.67(9) . . ?
C44 C43 Rh1 111.18(12) . . ?
C43 C44 C45 112.08(15) . . ?
C38 C45 C44 112.54(15) . . ?
C46 C47 C48 104.3(6) . . ?
C49 C48 C47 118.9(4) . . ?
C50 C49 C48 116.0(4) . . ?
C49 C50 C51 117.3(4) . . ?
C48A C47A C46A 118.9(15) . . ?
C48A C47A C49A 46.1(8) . . ?
C46A C47A C49A 152.9(15) . . ?
C47A C48A C49A 88.0(12) . . ?
C48A C49A C50A 124.7(12) . . ?
C48A C49A C47A 45.8(7) . . ?
C50A C49A C47A 137.5(11) . . ?
C51A C50A C49A 120.2(11) . . ?
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 N1 2.0889(13) . ?
Rh1 N2 2.0939(13) . ?
Rh1 C39 2.1170(16) . ?
Rh1 C42 2.1193(16) . ?
Rh1 C38 2.1201(17) . ?
Rh1 C43 2.1214(16) . ?
N1 C1 1.346(2) . ?
N1 C2 1.422(2) . ?
N2 C1 1.350(2) . ?
N2 C14 1.422(2) . ?
N3 C1 1.378(2) . ?
N3 C26 1.487(2) . ?
N3 C32 1.489(2) . ?
C2 C3 1.408(2) . ?
C2 C7 1.416(2) . ?
C3 C4 1.394(2) . ?
C3 C8 1.525(2) . ?
C4 C5 1.381(3) . ?
C5 C6 1.382(3) . ?
C6 C7 1.396(2) . ?
C7 C11 1.521(2) . ?
C8 C9 1.532(2) . ?
C8 C10 1.534(2) . ?
C11 C12 1.526(3) . ?
C11 C13 1.529(3) . ?
C14 C15 1.405(2) . ?
C14 C19 1.415(2) . ?
C15 C16 1.397(2) . ?
C15 C20 1.521(2) . ?
C16 C17 1.378(3) . ?
C17 C18 1.380(3) . ?
C18 C19 1.393(2) . ?
C19 C23 1.520(3) . ?
C20 C22 1.530(3) . ?
C20 C21 1.534(2) . ?
C23 C24 1.532(3) . ?
C23 C25 1.532(3) . ?
C26 C31 1.532(2) . ?
C26 C27 1.533(2) . ?
C27 C28 1.530(3) . ?
C28 C29 1.525(3) . ?
C29 C30 1.519(3) . ?
C30 C31 1.533(3) . ?
C32 C37 1.534(2) . ?
C32 C33 1.538(2) . ?
C33 C34 1.528(2) . ?
C34 C35 1.523(3) . ?
C35 C36 1.526(3) . ?
C36 C37 1.534(2) . ?
C38 C39 1.399(3) . ?
C38 C45 1.523(2) . ?
C39 C40 1.512(2) . ?
C40 C41 1.538(2) . ?
C41 C42 1.526(2) . ?
C42 C43 1.398(2) . ?
C43 C44 1.510(3) . ?
C44 C45 1.532(3) . ?
C46 C47 1.395(10) . ?
C47 C48 1.590(6) . ?
C48 C49 1.530(7) . ?
C49 C50 1.491(7) . ?
C50 C51 1.518(6) . ?
C46A C47A 1.515(16) . ?
C47A C48A 1.446(16) . ?
C47A C49A 2.014(19) . ?
C48A C49A 1.453(14) . ?
C49A C50A 1.497(13) . ?
C50A C51A 1.417(12) . ?
