#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:28:11 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178566 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/75/4067585.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_4067585
loop_
_publ_author_name
'Dzik, Wojciech I.'
'Creusen, Charlotte'
'de Gelder, René'
'Peters, Theo P. J.'
'Smits, Jan M. M.'
'de Bruin, Bas'
_publ_contact_author
;
        Dr. B. de Bruin
        Department of Homogeneous Catalysis
        Van 't Hoff Institute for Molecular Sciences
        University of Amsterdam
        Nieuwe Achtergracht 166
        1018 WV Amsterdam
        The Netherlands
;
_publ_section_title
;
 Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining
 the Formation of Terminal versus Bridging Carbonyls
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1629
_journal_paper_doi               10.1021/om901023n
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C98 H100 B2 Cl8 N8 O2 Rh2'
_chemical_formula_weight         1932.90
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-07-27
_audit_creation_method           'SHELXL, adapted and expanded'
_cell_angle_alpha                115.639(7)
_cell_angle_beta                 111.926(7)
_cell_angle_gamma                94.289(10)
_cell_formula_units_Z            1
_cell_length_a                   13.8374(10)
_cell_length_b                   14.319(2)
_cell_length_c                   14.5273(9)
_cell_measurement_reflns_used    103
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      25.000
_cell_measurement_theta_min      2.140
_cell_volume                     2309.2(5)
_computing_data_collection
;
Nonius "Collect" program suite (Nonius, 1999)
;
_computing_data_reduction
;
Nonius "EvalCCD" program suite (Duisenberg, 1998)
;
_computing_molecular_graphics
;
PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
;
_diffrn_ambient_temperature      208(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       'area detector φ and ω scan'
_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  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25089
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        0.000
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS multiscan (Sheldrick, 1996)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rough rod'
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.72
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.052
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         8074
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0485
_refine_ls_R_factor_obs          0.0485
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[σ²(Fo²)+(0.0379P)²+4.2236P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1101
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_obs         0.1005
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                6527
_reflns_number_observed          6527
_reflns_number_total             8074
_reflns_observed_criterion       >2sigma(I)
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om901023n_si_001.cif
_cod_data_source_block           CREUS6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_publ_contact_autor' tag replaced with '_publ_contact_author'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (69
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (111 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2309.1(4)
_cod_database_code               4067585
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.06103(2) -0.00679(2) 0.10799(3) 0.02077(10) Uani 1 d .
C1 C -0.0718(3) 0.0263(3) 0.0319(3) 0.0250(9) Uani 1 d .
O1 O -0.1433(2) 0.0463(2) 0.0590(2) 0.0343(7) Uani 1 d .
N1 N 0.1788(2) 0.1451(2) 0.2132(3) 0.0236(7) Uani 1 d .
N2 N -0.0073(3) -0.1722(3) 0.0337(3) 0.0275(7) Uani 1 d .
N3 N 0.0620(3) 0.0320(3) 0.2754(3) 0.0268(7) Uani 1 d .
N4 N 0.2035(2) -0.0542(2) 0.1868(3) 0.0243(7) Uani 1 d .
C11 C 0.2954(3) 0.0262(3) 0.2107(3) 0.0286(9) Uani 1 d .
H11A H 0.3007 0.0078 0.1398 0.034 Uiso 1 calc R
H11B H 0.3631 0.0251 0.2650 0.034 Uiso 1 calc R
C12 C 0.2806(3) 0.1374(3) 0.2599(3) 0.0270(9) Uani 1 d .
C13 C 0.3659(3) 0.2277(3) 0.3478(4) 0.0383(11) Uani 1 d .
H13 H 0.4359 0.2209 0.3808 0.046 Uiso 1 calc R
C14 C 0.3475(4) 0.3274(4) 0.3865(4) 0.0451(12) Uani 1 d .
H14 H 0.4049 0.3897 0.4451 0.054 Uiso 1 calc R
C15 C 0.2438(4) 0.3350(3) 0.3386(4) 0.0383(10) Uani 1 d .
H15 H 0.2297 0.4025 0.3640 0.046 Uiso 1 calc R
C16 C 0.1615(3) 0.2429(3) 0.2534(3) 0.0278(9) Uani 1 d .
H16 H 0.0906 0.2483 0.2221 0.033 Uiso 1 calc R
C21 C 0.1840(3) -0.1654(3) 0.0963(3) 0.0266(9) Uani 1 d .
H21A H 0.2320 -0.2013 0.1293 0.032 Uiso 1 calc R
H21B H 0.2003 -0.1629 0.0372 0.032 Uiso 1 calc R
C22 C 0.0678(3) -0.2280(3) 0.0441(3) 0.0275(9) Uani 1 d .
C23 C 0.0372(4) -0.3375(3) 0.0039(4) 0.0373(10) Uani 1 d .
H23 H 0.0901 -0.3747 0.0125 0.045 Uiso 1 calc R
C24 C -0.0708(4) -0.3917(4) -0.0486(4) 0.0440(12) Uani 1 d .
H24 H -0.0925 -0.4664 -0.0770 0.053 Uiso 1 calc R
C25 C -0.1471(4) -0.3357(4) -0.0594(4) 0.0406(11) Uani 1 d .
H25 H -0.2216 -0.3717 -0.0959 0.049 Uiso 1 calc R
C26 C -0.1122(3) -0.2254(3) -0.0154(3) 0.0341(10) Uani 1 d .
H26 H -0.1641 -0.1866 -0.0202 0.041 Uiso 1 calc R
C31 C 0.2085(3) -0.0526(3) 0.2912(3) 0.0301(9) Uani 1 d .
H31A H 0.2848 -0.0306 0.3469 0.036 Uiso 1 calc R
H31B H 0.1756 -0.1259 0.2714 0.036 Uiso 1 calc R
C32 C 0.1518(3) 0.0218(3) 0.3455(3) 0.0267(9) Uani 1 d .
C33 C 0.1856(4) 0.0727(4) 0.4623(3) 0.0375(10) Uani 1 d .
H33 H 0.2487 0.0655 0.5106 0.045 Uiso 1 calc R
C34 C 0.1258(4) 0.1341(4) 0.5072(4) 0.0488(13) Uani 1 d .
H34 H 0.1478 0.1693 0.5864 0.059 Uiso 1 calc R
C35 C 0.0338(4) 0.1433(4) 0.4352(4) 0.0501(13) Uani 1 d .
H35 H -0.0086 0.1842 0.4640 0.060 Uiso 1 calc R
C36 C 0.0047(3) 0.0914(4) 0.3198(4) 0.0359(10) Uani 1 d .
H36 H -0.0580 0.0981 0.2705 0.043 Uiso 1 calc R
B1 B 0.7677(3) 0.3049(4) 0.5764(4) 0.0257(10) Uani 1 d .
C41 C 0.7702(3) 0.3723(3) 0.5092(3) 0.0263(9) Uani 1 d .
C42 C 0.6733(3) 0.3643(3) 0.4234(3) 0.0308(9) Uani 1 d .
H42 H 0.6088 0.3162 0.4022 0.037 Uiso 1 calc R
C43 C 0.6679(3) 0.4238(3) 0.3684(3) 0.0334(10) Uani 1 d .
H43 H 0.6004 0.4157 0.3123 0.040 Uiso 1 calc R
C44 C 0.7599(4) 0.4948(3) 0.3948(4) 0.0339(10) Uani 1 d .
C45 C 0.8576(3) 0.5007(3) 0.4750(4) 0.0351(10) Uani 1 d .
H45 H 0.9223 0.5459 0.4926 0.042 Uiso 1 calc R
C46 C 0.8619(3) 0.4409(3) 0.5301(3) 0.0301(9) Uani 1 d .
H46 H 0.9300 0.4472 0.5839 0.036 Uiso 1 calc R
C47 C 0.7550(4) 0.5614(4) 0.3371(5) 0.0571(14) Uani 1 d .
H47A H 0.7090 0.5161 0.2554 0.086 Uiso 1 calc R
H47B H 0.8275 0.5907 0.3506 0.086 Uiso 1 calc R
H47C H 0.7252 0.6201 0.3680 0.086 Uiso 1 calc R
C51 C 0.6962(3) 0.1793(3) 0.4786(3) 0.0278(9) Uani 1 d .
C52 C 0.7205(3) 0.1230(3) 0.3877(4) 0.0343(10) Uani 1 d .
H52 H 0.7734 0.1606 0.3805 0.041 Uiso 1 calc R
C53 C 0.6701(4) 0.0142(3) 0.3074(4) 0.0381(11) Uani 1 d .
H53 H 0.6903 -0.0198 0.2485 0.046 Uiso 1 calc R
C54 C 0.5904(4) -0.0450(3) 0.3129(4) 0.0396(11) Uani 1 d .
C55 C 0.5637(3) 0.0096(3) 0.4006(4) 0.0366(10) Uani 1 d .
H55 H 0.5089 -0.0278 0.4057 0.044 Uiso 1 calc R
C56 C 0.6153(3) 0.1178(3) 0.4814(4) 0.0316(9) Uani 1 d .
H56 H 0.5950 0.1510 0.5403 0.038 Uiso 1 calc R
C57 C 0.5357(5) -0.1636(4) 0.2268(5) 0.0639(16) Uani 1 d .
H57A H 0.4632 -0.1726 0.1731 0.096 Uiso 1 calc R
H57B H 0.5313 -0.2025 0.2662 0.096 Uiso 1 calc R
H57C H 0.5776 -0.1917 0.1856 0.096 Uiso 1 calc R
C61 C 0.8910(3) 0.3054(3) 0.6527(3) 0.0266(9) Uani 1 d .
C62 C 0.9231(3) 0.2124(3) 0.6388(3) 0.0305(9) Uani 1 d .
H62 H 0.8721 0.1451 0.5818 0.037 Uiso 1 calc R
C63 C 1.0269(4) 0.2139(4) 0.7048(4) 0.0377(10) Uani 1 d .
H63 H 1.0430 0.1483 0.6936 0.045 Uiso 1 calc R
C64 C 1.1065(3) 0.3100(4) 0.7866(4) 0.0374(11) Uani 1 d .
C65 C 1.0769(3) 0.4043(4) 0.8045(4) 0.0391(11) Uani 1 d .
H65 H 1.1287 0.4713 0.8606 0.047 Uiso 1 calc R
C66 C 0.9718(3) 0.4009(4) 0.7407(3) 0.0353(10) Uani 1 d .
H66 H 0.9540 0.4666 0.7577 0.042 Uiso 1 calc R
C67 C 1.2221(4) 0.3121(5) 0.8506(4) 0.0559(14) Uani 1 d .
H67A H 1.2225 0.2464 0.8549 0.084 Uiso 1 calc R
H67B H 1.2549 0.3740 0.9273 0.084 Uiso 1 calc R
H67C H 1.2631 0.3173 0.8106 0.084 Uiso 1 calc R
C71 C 0.7109(3) 0.3559(3) 0.6614(3) 0.0268(9) Uani 1 d .
C72 C 0.7341(3) 0.3412(3) 0.7559(4) 0.0314(9) Uani 1 d .
H72 H 0.7875 0.3064 0.7735 0.038 Uiso 1 calc R
C73 C 0.6824(3) 0.3754(3) 0.8244(4) 0.0347(10) Uani 1 d .
H73 H 0.7021 0.3636 0.8870 0.042 Uiso 1 calc R
C74 C 0.6024(3) 0.4264(3) 0.8038(4) 0.0341(10) Uani 1 d .
C75 C 0.5794(4) 0.4448(4) 0.7127(4) 0.0417(11) Uani 1 d .
H75 H 0.5270 0.4810 0.6966 0.050 Uiso 1 calc R
C76 C 0.6321(3) 0.4111(3) 0.6449(4) 0.0366(10) Uani 1 d .
H76 H 0.6142 0.4259 0.5845 0.044 Uiso 1 calc R
C77 C 0.5430(4) 0.4597(4) 0.8758(4) 0.0494(12) Uani 1 d .
H77A H 0.5763 0.4481 0.9403 0.074 Uiso 1 calc R
H77B H 0.4676 0.4169 0.8300 0.074 Uiso 1 calc R
H77C H 0.5470 0.5356 0.9036 0.074 Uiso 1 calc R
C81 C 0.4098(5) 0.1125(5) 0.0335(5) 0.0731(17) Uani 1 d .
H81A H 0.4369 0.0989 -0.0232 0.088 Uiso 1 calc R
H81B H 0.3394 0.0590 -0.0046 0.088 Uiso 1 calc R
Cl1 Cl 0.50054(12) 0.09692(14) 0.14371(13) 0.0692(4) Uani 1 d .
Cl2 Cl 0.39255(14) 0.24104(17) 0.0838(2) 0.1079(7) Uani 1 d .
C82 C 0.7754(4) 0.2544(4) 0.1934(4) 0.0560(14) Uani 1 d .
H82A H 0.7611 0.2833 0.2603 0.067 Uiso 1 calc R
H82B H 0.7751 0.1791 0.1704 0.067 Uiso 1 calc R
Cl3 Cl 0.90191(11) 0.32842(12) 0.23014(14) 0.0747(5) Uani 1 d .
Cl4 Cl 0.67301(14) 0.2593(2) 0.08168(15) 0.1042(7) Uani 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 '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 C1 79.05(18) . 2 y
C1 Rh1 N2 97.38(14) . . y
C1 Rh1 N2 92.05(14) 2 . y
C1 Rh1 N1 103.36(13) . . y
C1 Rh1 N1 92.92(13) 2 . y
N2 Rh1 N1 159.24(12) . . y
C1 Rh1 N4 176.50(14) . . y
C1 Rh1 N4 100.79(13) 2 . y
N2 Rh1 N4 79.13(12) . . y
N1 Rh1 N4 80.14(12) . . y
C1 Rh1 N3 102.17(14) . . y
C1 Rh1 N3 173.99(14) 2 . y
N2 Rh1 N3 93.62(12) . . y
N1 Rh1 N3 81.07(12) . . y
N4 Rh1 N3 78.36(12) . . y
C1 Rh1 Rh1 39.77(12) . 2 y
C1 Rh1 Rh1 39.28(11) 2 2 y
N2 Rh1 Rh1 96.09(9) . 2 y
N1 Rh1 Rh1 100.49(8) . 2 y
N4 Rh1 Rh1 139.96(8) . 2 y
N3 Rh1 Rh1 141.62(8) . 2 y
O1 C1 Rh1 129.5(3) . . y
O1 C1 Rh1 129.4(3) . 2 y
Rh1 C1 Rh1 100.95(18) . 2 y
C16 N1 C12 118.8(3) . . y
C16 N1 Rh1 127.4(3) . . y
C12 N1 Rh1 112.5(2) . . y
C26 N2 C22 118.8(3) . . y
C26 N2 Rh1 127.8(3) . . y
C22 N2 Rh1 113.4(3) . . y
C36 N3 C32 119.0(3) . . y
C36 N3 Rh1 125.4(3) . . y
C32 N3 Rh1 112.1(2) . . y
C11 N4 C21 114.5(3) . . y
C11 N4 C31 113.1(3) . . y
C21 N4 C31 111.2(3) . . y
C11 N4 Rh1 103.4(2) . . y
C21 N4 Rh1 103.4(2) . . y
C31 N4 Rh1 110.5(2) . . y
N4 C11 C12 110.6(3) . . y
N1 C12 C13 121.2(4) . . y
N1 C12 C11 116.5(3) . . y
C13 C12 C11 122.3(3) . . y
C14 C13 C12 119.4(4) . . y
C13 C14 C15 119.2(4) . . y
C16 C15 C14 119.3(4) . . y
N1 C16 C15 122.1(4) . . y
N4 C21 C22 109.7(3) . . y
N2 C22 C23 121.1(4) . . y
N2 C22 C21 116.7(3) . . y
C23 C22 C21 122.1(4) . . y
C24 C23 C22 119.7(4) . . y
C23 C24 C25 119.5(4) . . y
C24 C25 C26 118.8(4) . . y
N2 C26 C25 122.2(4) . . y
N4 C31 C32 113.4(3) . . y
N3 C32 C33 121.0(4) . . y
N3 C32 C31 117.2(3) . . y
C33 C32 C31 121.6(4) . . y
C34 C33 C32 119.4(4) . . y
C35 C34 C33 119.3(4) . . y
C34 C35 C36 118.6(4) . . y
N3 C36 C35 122.6(4) . . y
C51 B1 C71 109.2(3) . . y
C51 B1 C61 108.6(3) . . y
C71 B1 C61 108.8(3) . . y
C51 B1 C41 107.6(3) . . y
C71 B1 C41 111.2(3) . . y
C61 B1 C41 111.4(3) . . y
C46 C41 C42 114.1(4) . . y
C46 C41 B1 126.0(3) . . y
C42 C41 B1 119.9(3) . . y
C43 C42 C41 123.2(4) . . y
C44 C43 C42 121.1(4) . . y
C43 C44 C45 117.1(4) . . y
C43 C44 C47 121.7(4) . . y
C45 C44 C47 121.2(4) . . y
C44 C45 C46 121.2(4) . . y
C41 C46 C45 123.2(4) . . y
C56 C51 C52 114.5(4) . . y
C56 C51 B1 125.5(4) . . y
C52 C51 B1 119.8(4) . . y
C53 C52 C51 123.2(4) . . y
C54 C53 C52 120.8(4) . . y
C55 C54 C53 116.9(4) . . y
C55 C54 C57 121.8(5) . . y
C53 C54 C57 121.4(5) . . y
C54 C55 C56 122.0(4) . . y
C55 C56 C51 122.5(4) . . y
C62 C61 C66 114.0(4) . . y
C62 C61 B1 123.9(4) . . y
C66 C61 B1 122.1(4) . . y
C63 C62 C61 123.3(4) . . y
C64 C63 C62 121.0(4) . . y
C63 C64 C65 117.2(4) . . y
C63 C64 C67 121.3(5) . . y
C65 C64 C67 121.5(4) . . y
C64 C65 C66 120.8(4) . . y
C65 C66 C61 123.5(4) . . y
C72 C71 C76 113.6(4) . . y
C72 C71 B1 121.1(3) . . y
C76 C71 B1 125.2(4) . . y
C73 C72 C71 123.2(4) . . y
C72 C73 C74 122.0(4) . . y
C73 C74 C75 116.3(4) . . y
C73 C74 C77 121.9(4) . . y
C75 C74 C77 121.8(4) . . y
C76 C75 C74 121.4(4) . . y
C75 C76 C71 123.5(4) . . y
Cl2 C81 Cl1 111.8(4) . . y
Cl3 C82 Cl4 111.2(3) . . y
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 1.972(4) . y
Rh1 C1 1.993(4) 2 y
Rh1 N2 2.088(3) . y
Rh1 N1 2.111(3) . y
Rh1 N4 2.201(3) . y
Rh1 N3 2.242(3) . y
Rh1 Rh1 3.0586(6) 2 y
C1 O1 1.205(5) . y
C1 Rh1 1.993(4) 2 y
N1 C16 1.343(5) . y
N1 C12 1.354(5) . y
N2 C26 1.338(5) . y
N2 C22 1.360(5) . y
N3 C36 1.332(5) . y
N3 C32 1.347(5) . y
N4 C11 1.473(5) . y
N4 C21 1.482(5) . y
N4 C31 1.483(5) . y
C11 C12 1.503(5) . y
C12 C13 1.384(6) . y
C13 C14 1.373(6) . y
C14 C15 1.377(6) . y
C15 C16 1.371(6) . y
C21 C22 1.500(5) . y
C22 C23 1.379(6) . y
C23 C24 1.371(6) . y
C24 C25 1.376(7) . y
C25 C26 1.386(6) . y
C31 C32 1.494(5) . y
C32 C33 1.384(5) . y
C33 C34 1.377(6) . y
C34 C35 1.372(6) . y
C35 C36 1.378(6) . y
B1 C51 1.644(6) . y
B1 C71 1.646(6) . y
B1 C61 1.648(6) . y
B1 C41 1.650(6) . y
C41 C46 1.390(5) . y
C41 C42 1.404(5) . y
C42 C43 1.387(6) . y
C43 C44 1.381(6) . y
C44 C45 1.383(6) . y
C44 C47 1.508(6) . y
C45 C46 1.394(6) . y
C51 C56 1.395(6) . y
C51 C52 1.400(6) . y
C52 C53 1.390(6) . y
C53 C54 1.387(6) . y
C54 C55 1.380(6) . y
C54 C57 1.511(6) . y
C55 C56 1.387(6) . y
C61 C62 1.391(6) . y
C61 C66 1.395(6) . y
C62 C63 1.390(6) . y
C63 C64 1.378(6) . y
C64 C65 1.384(6) . y
C64 C67 1.510(6) . y
C65 C66 1.387(6) . y
C71 C72 1.401(6) . y
C71 C76 1.402(6) . y
C72 C73 1.381(6) . y
C73 C74 1.383(6) . y
C74 C75 1.387(6) . y
C74 C77 1.504(6) . y
C75 C76 1.383(6) . y
C81 Cl2 1.736(7) . y
C81 Cl1 1.743(6) . y
C82 Cl3 1.735(5) . y
C82 Cl4 1.745(6) . y
