#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:31:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179849 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/45/7014595.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_7014595
loop_
_publ_author_name
'Liu, Xiang Y.'
'Lokare, Kapil S.'
'Ganesh, Somesh K.'
'Gonzales, Jason M.'
'Oxgaard, Jonas'
'Goddard, 3rd, William A'
'Periana, Roy A.'
_publ_section_title
;
 Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              301
_journal_page_last               304
_journal_paper_doi               10.1039/c0dt00997k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C38 H53 Cl N2 O4 Rh'
_chemical_formula_weight         740.18
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 119.7460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7408(13)
_cell_length_b                   17.9422(10)
_cell_length_c                   15.7257(9)
_cell_measurement_reflns_used    7846
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.22
_cell_measurement_theta_min      2.27
_cell_volume                     3856.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22172
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    0.551
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1556
_exptl_crystal_size_max          0.118
_exptl_crystal_size_mid          0.106
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.367
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       0.00000(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         7877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          7.894
_refine_ls_shift/su_mean         0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0620P)²+1.2422P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1237
_reflns_number_gt                5832
_reflns_number_total             7877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00997K.TXT
_cod_data_source_block           c:\frames\irina\periana\rhclco\work\p21c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7014595
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.566657(19) 0.833804(13) 0.840705(19) 0.03880(11) Uani 1 1 d . . .
Cl1 Cl 0.57968(8) 0.96444(5) 0.82529(8) 0.0622(3) Uani 1 1 d . . .
O1 O 0.45440(18) 0.83473(12) 0.69934(17) 0.0453(6) Uani 1 1 d . . .
O2 O 0.67535(18) 0.84041(12) 0.97940(18) 0.0513(6) Uani 1 1 d . A .
O3 O 0.6588(2) 0.81774(15) 0.7817(2) 0.0677(8) Uani 1 1 d . . .
O4 O 0.5650(3) 0.8937(2) 0.6184(3) 0.1045(12) Uiso 1 1 d . . .
N1 N 0.55973(19) 0.72162(14) 0.85739(19) 0.0402(6) Uani 1 1 d . . .
N2 N 0.4774(2) 0.83931(14) 0.89510(18) 0.0386(6) Uani 1 1 d . . .
C1 C 0.4354(3) 0.9017(2) 0.9055(3) 0.0544(10) Uani 1 1 d . . .
H1 H 0.4460 0.9468 0.8831 0.065 Uiso 1 1 calc R . .
C2 C 0.3775(3) 0.9005(3) 0.9483(3) 0.0741(13) Uani 1 1 d . . .
H2 H 0.3505 0.9443 0.9561 0.089 Uiso 1 1 calc R . .
C3 C 0.3601(4) 0.8331(3) 0.9794(4) 0.0848(16) Uani 1 1 d . . .
H3 H 0.3196 0.8306 1.0067 0.102 Uiso 1 1 calc R . .
C4 C 0.4035(3) 0.7699(3) 0.9695(3) 0.0699(12) Uani 1 1 d . . .
H4 H 0.3931 0.7243 0.9910 0.084 Uiso 1 1 calc R . .
C5 C 0.4626(3) 0.77392(19) 0.9279(2) 0.0444(8) Uani 1 1 d . . .
C6 C 0.5194(3) 0.70869(19) 0.9238(3) 0.0472(8) Uani 1 1 d . . .
H6A H 0.5728 0.6983 0.9892 0.057 Uiso 1 1 calc R . .
H6B H 0.4772 0.6652 0.9016 0.057 Uiso 1 1 calc R . .
C7 C 0.3767(3) 0.78996(18) 0.6756(2) 0.0418(8) Uani 1 1 d . . .
C8 C 0.2790(3) 0.8142(2) 0.6162(2) 0.0475(9) Uani 1 1 d . . .
C9 C 0.2537(3) 0.8936(2) 0.5728(3) 0.0577(10) Uani 1 1 d . . .
C10 C 0.3011(4) 0.9107(3) 0.5114(4) 0.0937(17) Uani 1 1 d . . .
H10A H 0.2811 0.9592 0.4826 0.141 Uiso 1 1 calc R . .
H10B H 0.2813 0.8740 0.4605 0.141 Uiso 1 1 calc R . .
H10C H 0.3710 0.9095 0.5521 0.141 Uiso 1 1 calc R . .
C11 C 0.2878(4) 0.9497(3) 0.6552(4) 0.0928(17) Uani 1 1 d . . .
H11A H 0.3575 0.9462 0.6962 0.139 Uiso 1 1 calc R . .
H11B H 0.2568 0.9395 0.6933 0.139 Uiso 1 1 calc R . .
H11C H 0.2708 0.9991 0.6284 0.139 Uiso 1 1 calc R . .
C12 C 0.1432(4) 0.9037(3) 0.5053(5) 0.115(2) Uani 1 1 d . . .
H12A H 0.1104 0.8976 0.5425 0.173 Uiso 1 1 calc R . .
H12B H 0.1197 0.8671 0.4540 0.173 Uiso 1 1 calc R . .
H12C H 0.1304 0.9527 0.4770 0.173 Uiso 1 1 calc R . .
C13 C 0.2044(3) 0.7638(2) 0.5991(3) 0.0511(9) Uani 1 1 d . . .
H13 H 0.1401 0.7798 0.5608 0.061 Uiso 1 1 calc R . .
C14 C 0.2200(3) 0.6914(2) 0.6355(3) 0.0484(9) Uani 1 1 d . . .
C15 C 0.1363(3) 0.6387(2) 0.6197(3) 0.0643(11) Uani 1 1 d . . .
C16 C 0.1475(4) 0.6219(3) 0.7205(4) 0.0977(17) Uani 1 1 d . . .
H16A H 0.0929 0.5926 0.7124 0.147 Uiso 1 1 calc R . .
H16B H 0.1496 0.6678 0.7528 0.147 Uiso 1 1 calc R . .
H16C H 0.2070 0.5946 0.7594 0.147 Uiso 1 1 calc R . .
C17 C 0.0352(3) 0.6728(3) 0.5567(4) 0.0832(14) Uani 1 1 d . . .
H17A H 0.0270 0.6862 0.4940 0.125 Uiso 1 1 calc R . .
H17B H 0.0289 0.7165 0.5884 0.125 Uiso 1 1 calc R . .
H17C H -0.0139 0.6372 0.5481 0.125 Uiso 1 1 calc R . .
C18 C 0.1440(4) 0.5666(3) 0.5720(4) 0.0924(17) Uani 1 1 d . . .
H18A H 0.1379 0.5778 0.5095 0.139 Uiso 1 1 calc R . .
H18B H 0.0927 0.5332 0.5632 0.139 Uiso 1 1 calc R . .
H18C H 0.2063 0.5437 0.6134 0.139 Uiso 1 1 calc R . .
C19 C 0.3163(3) 0.66864(19) 0.6893(2) 0.0487(9) Uani 1 1 d . . .
H19 H 0.3297 0.6202 0.7135 0.058 Uiso 1 1 calc R . .
C20 C 0.3934(3) 0.71563(18) 0.7082(2) 0.0434(8) Uani 1 1 d . . .
C21 C 0.4956(3) 0.68716(19) 0.7583(3) 0.0474(9) Uani 1 1 d . . .
H21A H 0.5242 0.6968 0.7171 0.057 Uiso 1 1 calc R . .
H21B H 0.4944 0.6336 0.7660 0.057 Uiso 1 1 calc R . .
C22 C 0.6591(3) 0.68692(19) 0.8985(3) 0.0480(9) Uani 1 1 d . . .
H22A H 0.6831 0.6961 0.8534 0.058 Uiso 1 1 calc R . .
H22B H 0.6522 0.6334 0.9017 0.058 Uiso 1 1 calc R . .
C23 C 0.7349(2) 0.71381(18) 0.9984(2) 0.0441(8) Uani 1 1 d . A .
C24 C 0.8086(3) 0.66431(18) 1.0569(3) 0.0489(9) Uani 1 1 d . . .
H24 H 0.8071 0.6166 1.0331 0.059 Uiso 1 1 calc R . .
C25 C 0.8842(3) 0.68256(19) 1.1488(3) 0.0482(9) Uani 1 1 d . A .
C26 C 0.9678(3) 0.6279(2) 1.2095(3) 0.0559(10) Uani 1 1 d . . .
C27 C 1.0538(6) 0.6662(4) 1.2945(7) 0.101(3) Uani 0.775(11) 1 d P A 1
H27A H 1.0361 0.6804 1.3425 0.152 Uiso 0.775(11) 1 calc PR A 1
H27B H 1.0714 0.7097 1.2712 0.152 Uiso 0.775(11) 1 calc PR A 1
H27C H 1.1085 0.6326 1.3236 0.152 Uiso 0.775(11) 1 calc PR A 1
C28 C 1.0084(5) 0.5996(4) 1.1431(5) 0.092(3) Uani 0.775(11) 1 d P A 1
H28A H 1.0612 0.5654 1.1793 0.137 Uiso 0.775(11) 1 calc PR A 1
H28B H 1.0319 0.6412 1.1222 0.137 Uiso 0.775(11) 1 calc PR A 1
H28C H 0.9573 0.5749 1.0868 0.137 Uiso 0.775(11) 1 calc PR A 1
C29 C 0.9312(6) 0.5644(5) 1.2406(8) 0.100(3) Uani 0.775(11) 1 d P A 1
H29A H 0.8756 0.5432 1.1846 0.150 Uiso 0.775(11) 1 calc PR A 1
H29B H 0.9124 0.5810 1.2869 0.150 Uiso 0.775(11) 1 calc PR A 1
H29C H 0.9817 0.5275 1.2706 0.150 Uiso 0.775(11) 1 calc PR A 1
C39 C 0.9682(14) 0.5572(11) 1.1560(13) 0.055(6) Uiso 0.225(11) 1 d P A 2
H39A H 1.0240 0.5274 1.1984 0.082 Uiso 0.225(11) 1 calc PR A 2
H39B H 0.9713 0.5702 1.0984 0.082 Uiso 0.225(11) 1 calc PR A 2
H39C H 0.9095 0.5293 1.1375 0.082 Uiso 0.225(11) 1 calc PR A 2
C40 C 1.068(2) 0.6625(15) 1.251(2) 0.074(8) Uiso 0.225(11) 1 d P A 2
H40A H 1.1163 0.6280 1.2956 0.111 Uiso 0.225(11) 1 calc PR A 2
H40B H 1.0704 0.7072 1.2860 0.111 Uiso 0.225(11) 1 calc PR A 2
H40C H 1.0806 0.6743 1.1992 0.111 Uiso 0.225(11) 1 calc PR A 2
C41 C 0.9513(15) 0.5959(12) 1.2992(16) 0.059(6) Uiso 0.225(11) 1 d P A 2
H41A H 0.8892 0.5712 1.2719 0.088 Uiso 0.225(11) 1 calc PR A 2
H41B H 0.9528 0.6367 1.3394 0.088 Uiso 0.225(11) 1 calc PR A 2
H41C H 1.0025 0.5613 1.3383 0.088 Uiso 0.225(11) 1 calc PR A 2
C30 C 0.8781(3) 0.7520(2) 1.1845(3) 0.0499(9) Uani 1 1 d . . .
H30 H 0.9256 0.7643 1.2481 0.060 Uiso 1 1 calc R A .
C31 C 0.8059(2) 0.80398(19) 1.1316(2) 0.0439(8) Uani 1 1 d . A .
C32 C 0.8003(3) 0.8783(2) 1.1763(3) 0.0556(10) Uani 1 1 d . . .
C33 C 0.8765(4) 0.8827(3) 1.2859(3) 0.0880(17) Uani 1 1 d . A .
H33A H 0.8656 0.8429 1.3201 0.132 Uiso 1 1 calc R . .
H33B H 0.8704 0.9297 1.3117 0.132 Uiso 1 1 calc R . .
H33C H 0.9410 0.8784 1.2942 0.132 Uiso 1 1 calc R . .
C34 C 0.8185(3) 0.9435(2) 1.1240(3) 0.0731(13) Uani 1 1 d . A .
H34A H 0.8813 0.9376 1.1286 0.110 Uiso 1 1 calc R . .
H34B H 0.8171 0.9896 1.1542 0.110 Uiso 1 1 calc R . .
H34C H 0.7685 0.9440 1.0563 0.110 Uiso 1 1 calc R . .
C35 C 0.6979(3) 0.8859(2) 1.1658(3) 0.0712(12) Uani 1 1 d . A .
H35A H 0.6493 0.8870 1.0976 0.107 Uiso 1 1 calc R . .
H35B H 0.6947 0.9312 1.1965 0.107 Uiso 1 1 calc R . .
H35C H 0.6860 0.8442 1.1967 0.107 Uiso 1 1 calc R . .
C36 C 0.7359(2) 0.78667(18) 1.0327(2) 0.0431(8) Uani 1 1 d . . .
C37 C 0.7601(4) 0.8416(3) 0.8360(5) 0.0978(18) Uani 1 1 d . . .
H37A H 0.7630 0.8927 0.8554 0.147 Uiso 1 1 calc R . .
H37B H 0.7894 0.8368 0.7954 0.147 Uiso 1 1 calc R . .
H37C H 0.7950 0.8110 0.8933 0.147 Uiso 1 1 calc R . .
C38 C 0.6126(7) 0.9585(4) 0.6137(5) 0.145(3) Uani 1 1 d . . .
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'
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'
Cl Cl 0.1484 0.1585 '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'
H H 0.0000 0.0000 '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
N2 Rh1 O2 86.11(11) . . ?
N2 Rh1 N1 84.19(11) . . ?
O2 Rh1 N1 89.40(10) . . ?
N2 Rh1 O1 93.09(10) . . ?
O2 Rh1 O1 176.08(9) . . ?
N1 Rh1 O1 94.33(10) . . ?
N2 Rh1 O3 174.89(11) . . ?
O2 Rh1 O3 94.92(12) . . ?
N1 Rh1 O3 90.81(11) . . ?
O1 Rh1 O3 86.22(11) . . ?
N2 Rh1 Cl1 96.35(8) . . ?
O2 Rh1 Cl1 88.99(7) . . ?
N1 Rh1 Cl1 178.26(8) . . ?
O1 Rh1 Cl1 87.29(7) . . ?
O3 Rh1 Cl1 88.68(8) . . ?
C7 O1 Rh1 118.13(19) . . ?
C36 O2 Rh1 127.3(2) . . ?
C37 O3 Rh1 120.0(3) . . ?
C6 N1 C22 110.5(3) . . ?
C6 N1 C21 111.2(3) . . ?
C22 N1 C21 107.2(3) . . ?
C6 N1 Rh1 108.26(19) . . ?
C22 N1 Rh1 110.8(2) . . ?
C21 N1 Rh1 108.9(2) . . ?
C5 N2 C1 119.1(3) . . ?
C5 N2 Rh1 114.7(2) . . ?
C1 N2 Rh1 126.1(2) . . ?
N2 C1 C2 122.0(4) . . ?
C1 C2 C3 118.9(4) . . ?
C4 C3 C2 119.1(4) . . ?
C3 C4 C5 120.1(4) . . ?
N2 C5 C4 120.9(3) . . ?
N2 C5 C6 116.3(3) . . ?
C4 C5 C6 122.6(3) . . ?
N1 C6 C5 112.5(3) . . ?
O1 C7 C20 118.9(3) . . ?
O1 C7 C8 122.6(3) . . ?
C20 C7 C8 118.5(3) . . ?
C13 C8 C7 117.6(3) . . ?
C13 C8 C9 120.2(3) . . ?
C7 C8 C9 122.2(3) . . ?
C11 C9 C10 109.5(4) . . ?
C11 C9 C12 108.3(4) . . ?
C10 C9 C12 106.4(4) . . ?
C11 C9 C8 109.3(3) . . ?
C10 C9 C8 111.5(3) . . ?
C12 C9 C8 111.7(4) . . ?
C14 C13 C8 124.3(3) . . ?
C19 C14 C13 116.4(3) . . ?
C19 C14 C15 120.6(3) . . ?
C13 C14 C15 123.0(3) . . ?
C17 C15 C18 109.4(4) . . ?
C17 C15 C16 107.3(4) . . ?
C18 C15 C16 110.1(4) . . ?
C17 C15 C14 113.2(4) . . ?
C18 C15 C14 109.2(4) . . ?
C16 C15 C14 107.7(3) . . ?
C14 C19 C20 122.0(3) . . ?
C19 C20 C7 121.0(3) . . ?
C19 C20 C21 120.5(3) . . ?
C7 C20 C21 118.5(3) . . ?
C20 C21 N1 113.6(3) . . ?
N1 C22 C23 115.8(3) . . ?
C24 C23 C36 119.5(3) . . ?
C24 C23 C22 117.1(3) . . ?
C36 C23 C22 123.3(3) . . ?
C25 C24 C23 123.1(3) . . ?
C24 C25 C30 116.1(3) . . ?
C24 C25 C26 121.8(3) . . ?
C30 C25 C26 122.1(3) . . ?
C29 C26 C40 132.3(11) . . ?
C29 C26 C27 112.6(6) . . ?
C40 C26 C27 31.2(9) . . ?
C29 C26 C39 69.4(8) . . ?
C40 C26 C39 107.2(12) . . ?
C27 C26 C39 128.1(8) . . ?
C29 C26 C25 110.3(4) . . ?
C40 C26 C25 113.3(11) . . ?
C27 C26 C25 111.9(4) . . ?
C39 C26 C25 115.2(7) . . ?
C29 C26 C28 109.4(5) . . ?
C40 C26 C28 74.9(10) . . ?
C27 C26 C28 104.7(6) . . ?
C39 C26 C28 40.8(7) . . ?
C25 C26 C28 107.6(4) . . ?
C29 C26 C41 36.3(7) . . ?
C40 C26 C41 109.9(12) . . ?
C27 C26 C41 81.6(8) . . ?
C39 C26 C41 103.1(10) . . ?
C25 C26 C41 107.6(8) . . ?
C28 C26 C41 138.5(8) . . ?
C31 C30 C25 124.2(3) . . ?
C30 C31 C36 118.0(3) . . ?
C30 C31 C32 121.9(3) . . ?
C36 C31 C32 120.2(3) . . ?
C31 C32 C33 111.7(3) . . ?
C31 C32 C34 110.4(3) . . ?
C33 C32 C34 108.2(3) . . ?
C31 C32 C35 108.8(3) . . ?
C33 C32 C35 108.0(4) . . ?
C34 C32 C35 109.8(3) . . ?
O2 C36 C23 124.4(3) . . ?
O2 C36 C31 117.2(3) . . ?
C23 C36 C31 118.4(3) . . ?
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 N2 1.977(3) . ?
Rh1 O2 1.999(2) . ?
Rh1 N1 2.040(3) . ?
Rh1 O1 2.041(2) . ?
Rh1 O3 2.093(3) . ?
Rh1 Cl1 2.3757(9) . ?
O1 C7 1.352(4) . ?
O2 C36 1.323(4) . ?
O3 C37 1.451(6) . ?
O4 C38 1.406(8) . ?
N1 C6 1.485(4) . ?
N1 C22 1.499(4) . ?
N1 C21 1.506(4) . ?
N2 C5 1.348(4) . ?
N2 C1 1.351(4) . ?
C1 C2 1.375(6) . ?
C2 C3 1.382(6) . ?
C3 C4 1.371(6) . ?
C4 C5 1.379(5) . ?
C5 C6 1.494(5) . ?
C7 C20 1.406(4) . ?
C7 C8 1.414(5) . ?
C8 C13 1.397(5) . ?
C8 C9 1.545(5) . ?
C9 C11 1.514(6) . ?
C9 C10 1.516(6) . ?
C9 C12 1.534(6) . ?
C13 C14 1.392(5) . ?
C14 C19 1.381(5) . ?
C14 C15 1.539(6) . ?
C15 C17 1.523(6) . ?
C15 C18 1.530(6) . ?
C15 C16 1.536(6) . ?
C19 C20 1.383(5) . ?
C20 C21 1.488(5) . ?
C22 C23 1.505(5) . ?
C23 C24 1.387(5) . ?
C23 C36 1.411(4) . ?
C24 C25 1.380(5) . ?
C25 C30 1.389(5) . ?
C25 C26 1.536(5) . ?
C26 C29 1.465(8) . ?
C26 C40 1.51(3) . ?
C26 C27 1.516(8) . ?
C26 C39 1.524(18) . ?
C26 C28 1.555(8) . ?
C26 C41 1.66(2) . ?
C30 C31 1.385(5) . ?
C31 C36 1.424(5) . ?
C31 C32 1.531(5) . ?
C32 C33 1.536(5) . ?
C32 C34 1.537(6) . ?
C32 C35 1.542(6) . ?
