#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/13/4301321.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_4301321
loop_
_publ_author_name
'Shanshan Chen'
'Yongxin Li'
'Jing Zhao'
'Xingwei Li'
_publ_section_title
;
Chelation-Assisted Carbon-Halogen Bond Activation by a Rhodium(I) Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1198
_journal_page_last               1206
_journal_paper_doi               10.1021/ic801878e
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C49 H38 Br2 N P2 Rh, C4 H10 O, C H1.5 N0.5'
_chemical_formula_sum            'C54 H49.5 Br2 N1.5 O P2 Rh'
_chemical_formula_weight         1060.12
_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                 96.1040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0657(3)
_cell_length_b                   18.4792(4)
_cell_length_c                   20.7142(5)
_cell_measurement_reflns_used    7921
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.78
_cell_measurement_theta_min      2.70
_cell_volume                     4592.35(19)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0720
_diffrn_reflns_av_sigmaI/netI    0.1003
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            60594
_diffrn_reflns_theta_full        31.17
_diffrn_reflns_theta_max         31.17
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    2.223
_exptl_absorpt_correction_T_max  0.8083
_exptl_absorpt_correction_T_min  0.6648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2148
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.059
_refine_diff_density_min         -1.377
_refine_diff_density_rms         0.304
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         14723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0748P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                8994
_reflns_number_total             14723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801878e_si_002_1.cif
_cod_data_source_block           lxw58
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C54 H49.50 Br2 N1.50 O P2 Rh'
_cod_database_code               4301321
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 0.42489(2) 0.798257(16) 0.433978(14) 0.01493(8) Uani 1 1 d . . .
Br1 Br 0.46284(4) 0.88793(2) 0.53066(2) 0.02897(12) Uani 1 1 d . . .
Br2 Br 0.38086(4) 0.69255(2) 0.50256(2) 0.02695(11) Uani 1 1 d . . .
C1 C 0.3991(3) 0.7360(2) 0.35319(18) 0.0187(8) Uani 1 1 d . . .
C2 C 0.3698(3) 0.6643(2) 0.3453(2) 0.0265(9) Uani 1 1 d . . .
H2 H 0.3562 0.6362 0.3821 0.032 Uiso 1 1 calc R . .
C3 C 0.3596(4) 0.6321(3) 0.2836(2) 0.0369(12) Uani 1 1 d . . .
H3 H 0.3400 0.5824 0.2792 0.044 Uiso 1 1 calc R . .
C4 C 0.3774(4) 0.6710(3) 0.2302(2) 0.0377(12) Uani 1 1 d . . .
H4 H 0.3716 0.6478 0.1890 0.045 Uiso 1 1 calc R . .
C5 C 0.4042(4) 0.7447(3) 0.2346(2) 0.0324(11) Uani 1 1 d . . .
C6 C 0.4220(4) 0.7905(3) 0.1804(2) 0.0443(14) Uani 1 1 d . . .
H6 H 0.4132 0.7706 0.1379 0.053 Uiso 1 1 calc R . .
C7 C 0.4503(4) 0.8597(3) 0.1879(2) 0.0429(13) Uani 1 1 d . . .
H7 H 0.4616 0.8878 0.1508 0.052 Uiso 1 1 calc R . .
C8 C 0.4643(4) 0.8928(3) 0.2503(2) 0.0329(11) Uani 1 1 d . . .
C9 C 0.4944(4) 0.9646(3) 0.2620(2) 0.0380(12) Uani 1 1 d . . .
H9 H 0.5087 0.9953 0.2271 0.046 Uiso 1 1 calc R . .
C10 C 0.5031(4) 0.9906(3) 0.3238(3) 0.0390(12) Uani 1 1 d . . .
H10 H 0.5230 1.0398 0.3320 0.047 Uiso 1 1 calc R . .
C11 C 0.4829(3) 0.9452(2) 0.3756(2) 0.0273(10) Uani 1 1 d . . .
H11 H 0.4884 0.9645 0.4183 0.033 Uiso 1 1 calc R . .
C12 C 0.4454(3) 0.8493(2) 0.30402(19) 0.0229(9) Uani 1 1 d . . .
C13 C 0.4154(3) 0.7758(2) 0.29673(19) 0.0222(9) Uani 1 1 d . . .
C14 C 0.2066(3) 0.9145(2) 0.37696(19) 0.0202(8) Uani 1 1 d . . .
C15 C 0.1464(4) 0.9207(3) 0.3166(2) 0.0289(10) Uani 1 1 d . . .
H15 H 0.1139 0.8790 0.2956 0.035 Uiso 1 1 calc R . .
C16 C 0.1331(4) 0.9884(3) 0.2861(2) 0.0342(11) Uani 1 1 d . . .
H16 H 0.0928 0.9922 0.2443 0.041 Uiso 1 1 calc R . .
C17 C 0.1782(4) 1.0490(3) 0.3167(2) 0.0337(11) Uani 1 1 d . . .
H17 H 0.1692 1.0948 0.2959 0.040 Uiso 1 1 calc R . .
C18 C 0.2358(4) 1.0439(2) 0.3765(2) 0.0298(10) Uani 1 1 d . . .
H18 H 0.2659 1.0862 0.3978 0.036 Uiso 1 1 calc R . .
C19 C 0.2507(4) 0.9772(2) 0.4065(2) 0.0263(9) Uani 1 1 d . . .
H19 H 0.2919 0.9742 0.4481 0.032 Uiso 1 1 calc R . .
C20 C 0.1658(3) 0.8534(2) 0.49563(18) 0.0190(8) Uani 1 1 d . . .
C21 C 0.0664(3) 0.8923(2) 0.4873(2) 0.0227(9) Uani 1 1 d . . .
H21 H 0.0369 0.9073 0.4451 0.027 Uiso 1 1 calc R . .
C22 C 0.0106(3) 0.9092(2) 0.5402(2) 0.0255(9) Uani 1 1 d . . .
H22 H -0.0565 0.9365 0.5343 0.031 Uiso 1 1 calc R . .
C23 C 0.0515(3) 0.8870(2) 0.6008(2) 0.0281(10) Uani 1 1 d . . .
H23 H 0.0125 0.8987 0.6369 0.034 Uiso 1 1 calc R . .
C24 C 0.1492(4) 0.8474(3) 0.6101(2) 0.0306(10) Uani 1 1 d . . .
H24 H 0.1773 0.8319 0.6525 0.037 Uiso 1 1 calc R . .
C25 C 0.2060(3) 0.8305(2) 0.5573(2) 0.0247(9) Uani 1 1 d . . .
H25 H 0.2728 0.8030 0.5635 0.030 Uiso 1 1 calc R . .
C26 C 0.1371(3) 0.7620(2) 0.3849(2) 0.0215(8) Uani 1 1 d . . .
C27 C 0.0658(4) 0.7248(2) 0.4227(2) 0.0301(10) Uani 1 1 d . . .
H27 H 0.0680 0.7351 0.4677 0.036 Uiso 1 1 calc R . .
C28 C -0.0072(4) 0.6736(3) 0.3951(3) 0.0416(13) Uani 1 1 d . . .
H28 H -0.0554 0.6491 0.4213 0.050 Uiso 1 1 calc R . .
C29 C -0.0112(4) 0.6575(3) 0.3304(3) 0.0453(14) Uani 1 1 d . . .
H29 H -0.0623 0.6223 0.3116 0.054 Uiso 1 1 calc R . .
C30 C 0.0591(4) 0.6926(3) 0.2926(2) 0.0387(12) Uani 1 1 d . . .
H30 H 0.0566 0.6812 0.2478 0.046 Uiso 1 1 calc R . .
C31 C 0.1331(3) 0.7440(3) 0.3192(2) 0.0283(10) Uani 1 1 d . . .
H31 H 0.1818 0.7674 0.2927 0.034 Uiso 1 1 calc R . .
C32 C 0.6923(3) 0.7595(2) 0.5279(2) 0.0225(9) Uani 1 1 d . . .
C33 C 0.6378(4) 0.7500(3) 0.5828(2) 0.0368(12) Uani 1 1 d . . .
H33 H 0.5586 0.7496 0.5795 0.044 Uiso 1 1 calc R . .
C34 C 0.6998(4) 0.7409(3) 0.6430(2) 0.0479(14) Uani 1 1 d . . .
H34 H 0.6621 0.7345 0.6806 0.058 Uiso 1 1 calc R . .
C35 C 0.8127(4) 0.7410(3) 0.6490(3) 0.0452(14) Uani 1 1 d . . .
H35 H 0.8537 0.7339 0.6902 0.054 Uiso 1 1 calc R . .
C36 C 0.8676(4) 0.7513(3) 0.5947(3) 0.0396(12) Uani 1 1 d . . .
H36 H 0.9467 0.7522 0.5989 0.047 Uiso 1 1 calc R . .
C37 C 0.8088(4) 0.7604(2) 0.5344(2) 0.0305(10) Uani 1 1 d . . .
H37 H 0.8476 0.7672 0.4972 0.037 Uiso 1 1 calc R . .
C38 C 0.6520(3) 0.6785(2) 0.4115(2) 0.0272(10) Uani 1 1 d . . .
C39 C 0.6926(4) 0.6222(3) 0.4495(3) 0.0422(13) Uani 1 1 d . . .
H39 H 0.7028 0.6277 0.4953 0.051 Uiso 1 1 calc R . .
C40 C 0.7194(5) 0.5565(3) 0.4215(3) 0.0626(18) Uani 1 1 d . . .
H40 H 0.7462 0.5175 0.4487 0.075 Uiso 1 1 calc R . .
C41 C 0.7077(5) 0.5477(3) 0.3559(3) 0.0576(17) Uani 1 1 d . . .
H41 H 0.7287 0.5034 0.3372 0.069 Uiso 1 1 calc R . .
C42 C 0.6655(4) 0.6030(3) 0.3172(3) 0.0455(14) Uani 1 1 d . . .
H42 H 0.6553 0.5971 0.2714 0.055 Uiso 1 1 calc R . .
C43 C 0.6376(3) 0.6677(3) 0.3448(2) 0.0316(11) Uani 1 1 d . . .
H43 H 0.6078 0.7057 0.3174 0.038 Uiso 1 1 calc R . .
C44 C 0.7064(3) 0.8313(2) 0.4092(2) 0.0213(8) Uani 1 1 d . . .
C45 C 0.7710(4) 0.8159(3) 0.3588(2) 0.0346(11) Uani 1 1 d . . .
H45 H 0.7702 0.7685 0.3408 0.041 Uiso 1 1 calc R . .
C46 C 0.8362(4) 0.8693(3) 0.3347(2) 0.0420(13) Uani 1 1 d . . .
H46 H 0.8803 0.8581 0.3007 0.050 Uiso 1 1 calc R . .
C47 C 0.8377(4) 0.9385(3) 0.3595(2) 0.0383(12) Uani 1 1 d . . .
H47 H 0.8811 0.9751 0.3419 0.046 Uiso 1 1 calc R . .
C48 C 0.7754(4) 0.9545(3) 0.4103(2) 0.0310(10) Uani 1 1 d . . .
H48 H 0.7766 1.0020 0.4280 0.037 Uiso 1 1 calc R . .
C49 C 0.7115(3) 0.9010(2) 0.4351(2) 0.0275(10) Uani 1 1 d . . .
H49 H 0.6703 0.9120 0.4705 0.033 Uiso 1 1 calc R . .
C50 C 0.8165(8) 0.9799(6) 0.1627(6) 0.151(5) Uani 1 1 d . . .
H50A H 0.7761 0.9363 0.1736 0.226 Uiso 1 1 calc R . .
H50B H 0.7631 1.0182 0.1489 0.226 Uiso 1 1 calc R . .
H50C H 0.8650 0.9961 0.2009 0.226 Uiso 1 1 calc R . .
C51 C 0.8843(7) 0.9635(5) 0.1100(5) 0.105(3) Uani 1 1 d . . .
H51A H 0.8419 0.9329 0.0767 0.126 Uiso 1 1 calc R . .
H51B H 0.9061 1.0087 0.0890 0.126 Uiso 1 1 calc R . .
C52 C 1.0598(7) 0.9005(5) 0.0944(4) 0.101(3) Uani 1 1 d . . .
H52A H 1.0192 0.8708 0.0598 0.122 Uiso 1 1 calc R . .
H52B H 1.0921 0.9428 0.0738 0.122 Uiso 1 1 calc R . .
C53 C 1.1475(6) 0.8583(5) 0.1284(5) 0.107(3) Uani 1 1 d . . .
H53A H 1.1909 0.8888 0.1605 0.160 Uiso 1 1 calc R . .
H53B H 1.1963 0.8395 0.0974 0.160 Uiso 1 1 calc R . .
H53C H 1.1150 0.8178 0.1504 0.160 Uiso 1 1 calc R . .
C54 C 0.4746(7) 0.4955(4) 0.4682(4) 0.077(2) Uani 1 1 d . A -1
N1 N 0.4560(3) 0.87566(18) 0.36658(15) 0.0209(7) Uani 1 1 d . . .
N2 N 0.4360(12) 0.4868(7) 0.4175(8) 0.097(4) Uani 0.50 1 d P A -1
O1 O 0.9829(4) 0.9252(3) 0.1391(2) 0.0784(14) Uani 1 1 d . . .
P1 P 0.23335(8) 0.83017(6) 0.42286(5) 0.0177(2) Uani 1 1 d . . .
P2 P 0.61790(8) 0.76596(6) 0.44620(5) 0.0190(2) 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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 '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
C1 Rh1 N1 81.83(15) . . ?
C1 Rh1 P1 89.93(11) . . ?
N1 Rh1 P1 90.43(9) . . ?
C1 Rh1 P2 90.44(11) . . ?
N1 Rh1 P2 89.97(9) . . ?
P1 Rh1 P2 179.49(4) . . ?
C1 Rh1 Br2 90.13(12) . . ?
N1 Rh1 Br2 171.95(9) . . ?
P1 Rh1 Br2 89.18(3) . . ?
P2 Rh1 Br2 90.47(3) . . ?
C1 Rh1 Br1 174.67(12) . . ?
N1 Rh1 Br1 92.84(9) . . ?
P1 Rh1 Br1 90.36(3) . . ?
P2 Rh1 Br1 89.30(3) . . ?
Br2 Rh1 Br1 95.201(17) . . ?
C2 C1 C13 117.4(4) . . ?
C2 C1 Rh1 131.2(3) . . ?
C13 C1 Rh1 111.4(3) . . ?
C1 C2 C3 120.8(4) . . ?
C4 C3 C2 120.9(5) . . ?
C3 C4 C5 121.1(4) . . ?
C4 C5 C13 117.2(4) . . ?
C4 C5 C6 125.0(4) . . ?
C13 C5 C6 117.8(5) . . ?
C7 C6 C5 122.1(4) . . ?
C6 C7 C8 121.6(4) . . ?
C9 C8 C12 117.9(4) . . ?
C9 C8 C7 124.9(4) . . ?
C12 C8 C7 117.2(5) . . ?
C10 C9 C8 119.6(4) . . ?
C9 C10 C11 120.3(5) . . ?
N1 C11 C10 122.0(4) . . ?
N1 C12 C13 116.0(4) . . ?
N1 C12 C8 122.2(4) . . ?
C13 C12 C8 121.7(4) . . ?
C5 C13 C12 119.5(4) . . ?
C5 C13 C1 122.5(4) . . ?
C12 C13 C1 118.0(4) . . ?
C15 C14 C19 117.9(4) . . ?
C15 C14 P1 125.9(3) . . ?
C19 C14 P1 116.2(3) . . ?
C14 C15 C16 120.4(4) . . ?
C17 C16 C15 120.0(4) . . ?
C18 C17 C16 120.3(4) . . ?
C17 C18 C19 120.0(4) . . ?
C18 C19 C14 121.4(4) . . ?
C25 C20 C21 119.0(4) . . ?
C25 C20 P1 122.9(3) . . ?
C21 C20 P1 118.0(3) . . ?
C22 C21 C20 120.3(4) . . ?
C23 C22 C21 120.2(4) . . ?
C22 C23 C24 120.6(4) . . ?
C23 C24 C25 119.5(4) . . ?
C20 C25 C24 120.4(4) . . ?
C31 C26 C27 117.8(4) . . ?
C31 C26 P1 122.4(3) . . ?
C27 C26 P1 119.7(3) . . ?
C28 C27 C26 120.7(4) . . ?
C29 C28 C27 120.7(5) . . ?
C28 C29 C30 119.7(5) . . ?
C29 C30 C31 120.7(5) . . ?
C30 C31 C26 120.5(4) . . ?
C33 C32 C37 118.9(4) . . ?
C33 C32 P2 122.6(3) . . ?
C37 C32 P2 118.4(3) . . ?
C32 C33 C34 119.6(4) . . ?
C35 C34 C33 121.3(5) . . ?
C34 C35 C36 119.5(5) . . ?
C35 C36 C37 120.7(4) . . ?
C36 C37 C32 120.0(4) . . ?
C39 C38 C43 117.6(4) . . ?
C39 C38 P2 121.8(4) . . ?
C43 C38 P2 120.5(4) . . ?
C38 C39 C40 120.5(5) . . ?
C41 C40 C39 120.9(6) . . ?
C40 C41 C42 119.3(5) . . ?
C41 C42 C43 119.9(5) . . ?
C42 C43 C38 121.7(5) . . ?
C49 C44 C45 118.1(4) . . ?
C49 C44 P2 116.9(3) . . ?
C45 C44 P2 125.0(3) . . ?
C46 C45 C44 120.4(4) . . ?
C47 C46 C45 120.9(4) . . ?
C46 C47 C48 119.6(4) . . ?
C49 C48 C47 119.8(4) . . ?
C48 C49 C44 121.4(4) . . ?
O1 C51 C50 106.7(8) . . ?
C53 C52 O1 110.2(8) . . ?
C11 N1 C12 118.0(4) . . ?
C11 N1 Rh1 129.3(3) . . ?
C12 N1 Rh1 112.7(3) . . ?
C52 O1 C51 115.9(7) . . ?
C26 P1 C14 107.00(19) . . ?
C26 P1 C20 101.29(18) . . ?
C14 P1 C20 99.08(18) . . ?
C26 P1 Rh1 115.94(13) . . ?
C14 P1 Rh1 112.15(13) . . ?
C20 P1 Rh1 119.37(13) . . ?
C44 P2 C32 100.29(19) . . ?
C44 P2 C38 104.57(19) . . ?
C32 P2 C38 101.4(2) . . ?
C44 P2 Rh1 113.31(13) . . ?
C32 P2 Rh1 119.30(14) . . ?
C38 P2 Rh1 115.80(14) . . ?
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 C1 2.028(4) . ?
Rh1 N1 2.061(3) . ?
Rh1 P1 2.3725(10) . ?
Rh1 P2 2.3913(11) . ?
Rh1 Br2 2.5053(5) . ?
Rh1 Br1 2.6022(5) . ?
C1 C2 1.377(6) . ?
C1 C13 1.413(6) . ?
C2 C3 1.402(6) . ?
C3 C4 1.355(7) . ?
C4 C5 1.401(7) . ?
C5 C13 1.403(6) . ?
C5 C6 1.440(7) . ?
C6 C7 1.329(8) . ?
C7 C8 1.424(7) . ?
C8 C9 1.389(7) . ?
C8 C12 1.411(6) . ?
C9 C10 1.361(7) . ?
C10 C11 1.403(6) . ?
C11 N1 1.333(5) . ?
C12 N1 1.378(5) . ?
C12 C13 1.409(6) . ?
C14 C15 1.383(6) . ?
C14 C19 1.390(6) . ?
C14 P1 1.835(4) . ?
C15 C16 1.402(6) . ?
C16 C17 1.371(7) . ?
C17 C18 1.359(6) . ?
C18 C19 1.383(6) . ?
C20 C25 1.383(6) . ?
C20 C21 1.394(6) . ?
C20 P1 1.839(4) . ?
C21 C22 1.381(5) . ?
C22 C23 1.362(6) . ?
C23 C24 1.384(6) . ?
C24 C25 1.387(6) . ?
C26 C31 1.397(6) . ?
C26 C27 1.402(6) . ?
C26 P1 1.832(4) . ?
C27 C28 1.375(6) . ?
C28 C29 1.369(7) . ?
C29 C30 1.376(7) . ?
C30 C31 1.378(6) . ?
C32 C33 1.384(6) . ?
C32 C37 1.399(6) . ?
C32 P2 1.833(4) . ?
C33 C34 1.396(6) . ?
C34 C35 1.354(7) . ?
C35 C36 1.377(7) . ?
C36 C37 1.381(6) . ?
C38 C39 1.364(7) . ?
C38 C43 1.388(6) . ?
C38 P2 1.834(4) . ?
C39 C40 1.398(7) . ?
C40 C41 1.362(8) . ?
C41 C42 1.363(8) . ?
C42 C43 1.381(6) . ?
C44 C49 1.394(6) . ?
C44 C45 1.398(6) . ?
C44 P2 1.832(4) . ?
C45 C46 1.388(6) . ?
C46 C47 1.377(7) . ?
C47 C48 1.389(6) . ?
C48 C49 1.387(6) . ?
C50 C51 1.464(12) . ?
C51 O1 1.460(9) . ?
C52 C53 1.437(11) . ?
C52 O1 1.452(8) . ?
C54 N2 1.114(15) . ?
