#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/15/4071544.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_4071544
loop_
_publ_author_name
'Ito, Jun-ichi'
'Miyakawa, Takeshi'
'Nishiyama, Hisao'
_publ_section_title
;
 Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a
 (Phebox)Rh-Chloro Complex
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3312
_journal_paper_doi               10.1021/om8002174
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C26.5 H33.5 Cl5 N3 O2 Rh'
_chemical_formula_weight         706.22
_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_method           SHELXL-97
_cell_angle_alpha                105.268(7)
_cell_angle_beta                 97.952(6)
_cell_angle_gamma                90.103(7)
_cell_formula_units_Z            4
_cell_length_a                   13.364(4)
_cell_length_b                   15.834(5)
_cell_length_c                   16.154(5)
_cell_measurement_reflns_used    3588
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      24.45
_cell_measurement_theta_min      2.17
_cell_volume                     3263.3(17)
_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      153(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0478
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22966
_diffrn_reflns_theta_full        27.74
_diffrn_reflns_theta_max         27.74
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.734031
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1438
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.471
_refine_diff_density_min         -1.618
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         14967
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0697
_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)+(0.1109P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1737
_refine_ls_wR_factor_ref         0.2041
_reflns_number_gt                9098
_reflns_number_total             14967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8002174-file002.cif
_cod_data_source_block           Complex_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3263.2(18)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C26.50 H33.50 Cl5 N3 O2 Rh'
_cod_database_code               4071544
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.39585(3) 0.31812(3) 0.62489(3) 0.02074(13) Uani 1 1 d . . .
Rh2 Rh 0.85520(3) 0.18193(3) 0.37742(3) 0.02168(14) Uani 1 1 d . . .
N1 N 0.4498(4) 0.2604(3) 0.7220(4) 0.0270(12) Uani 1 1 d . . .
N2 N 0.3663(4) 0.4186(3) 0.5641(4) 0.0251(12) Uani 1 1 d . . .
N3 N 0.1771(4) 0.2955(4) 0.6123(4) 0.0283(12) Uani 1 1 d . . .
H1 H 0.1857 0.2635 0.5604 0.034 Uiso 1 1 calc R . .
N4 N 0.8776(4) 0.2377(4) 0.2786(4) 0.0302(13) Uani 1 1 d . . .
N5 N 0.8456(4) 0.0830(3) 0.4397(3) 0.0225(11) Uani 1 1 d . . .
N6 N 0.6406(4) 0.2066(4) 0.3886(4) 0.0295(13) Uani 1 1 d . . .
H2 H 0.6669 0.2380 0.4406 0.035 Uiso 1 1 calc R . .
Cl1 Cl 0.56220(11) 0.30172(10) 0.57867(12) 0.0297(4) Uani 1 1 d . . .
Cl2 Cl 0.32801(11) 0.19031(10) 0.50339(11) 0.0281(3) Uani 1 1 d . . .
Cl3 Cl 1.03755(11) 0.19785(10) 0.42276(11) 0.0290(4) Uani 1 1 d . . .
Cl4 Cl 0.82946(12) 0.31154(10) 0.49742(11) 0.0304(4) Uani 1 1 d . . .
O1 O 0.5383(4) 0.2805(3) 0.8536(3) 0.0394(12) Uani 1 1 d . . .
O2 O 0.3930(3) 0.5618(3) 0.5790(3) 0.0335(11) Uani 1 1 d . . .
O3 O 0.9223(4) 0.2151(4) 0.1474(4) 0.0454(13) Uani 1 1 d . . .
O4 O 0.8655(3) -0.0596(3) 0.4271(3) 0.0291(10) Uani 1 1 d . . .
C1 C 0.4547(5) 0.4181(4) 0.7154(4) 0.0255(14) Uani 1 1 d . . .
C2 C 0.5032(5) 0.4071(5) 0.7914(5) 0.0321(15) Uani 1 1 d . . .
C3 C 0.5491(5) 0.4784(5) 0.8555(5) 0.0367(17) Uani 1 1 d . . .
H3 H 0.5821 0.4702 0.9087 0.044 Uiso 1 1 calc R . .
C4 C 0.5470(6) 0.5623(5) 0.8421(5) 0.0411(18) Uani 1 1 d . . .
C5 C 0.4993(5) 0.5708(4) 0.7620(5) 0.0338(16) Uani 1 1 d . . .
H5 H 0.4993 0.6267 0.7506 0.041 Uiso 1 1 calc R . .
C6 C 0.4522(5) 0.4997(4) 0.6990(5) 0.0276(14) Uani 1 1 d . . .
C7 C 0.5925(7) 0.6432(6) 0.9102(6) 0.057(2) Uani 1 1 d . . .
C8 C 0.6433(9) 0.6222(7) 0.9949(6) 0.078(3) Uani 1 1 d . . .
H8A H 0.5932 0.5941 1.0189 0.117 Uiso 1 1 calc R . .
H8B H 0.6700 0.6767 1.0372 0.117 Uiso 1 1 calc R . .
H8C H 0.6987 0.5827 0.9817 0.117 Uiso 1 1 calc R . .
C9 C 0.5084(9) 0.7082(6) 0.9333(7) 0.078(3) Uani 1 1 d . . .
H9A H 0.4770 0.7236 0.8810 0.116 Uiso 1 1 calc R . .
H9B H 0.5376 0.7613 0.9765 0.116 Uiso 1 1 calc R . .
H9C H 0.4572 0.6811 0.9571 0.116 Uiso 1 1 calc R . .
C10 C 0.6729(9) 0.6871(8) 0.8732(7) 0.093(4) Uani 1 1 d . . .
H10A H 0.7275 0.6469 0.8596 0.140 Uiso 1 1 calc R . .
H10B H 0.7005 0.7409 0.9162 0.140 Uiso 1 1 calc R . .
H10C H 0.6416 0.7015 0.8203 0.140 Uiso 1 1 calc R . .
C11 C 0.4970(5) 0.3140(4) 0.7905(4) 0.0284(14) Uani 1 1 d . . .
C12 C 0.5173(7) 0.1868(6) 0.8231(5) 0.051(2) Uani 1 1 d . . .
H12A H 0.4797 0.1663 0.8633 0.062 Uiso 1 1 calc R . .
H12B H 0.5809 0.1551 0.8185 0.062 Uiso 1 1 calc R . .
C13 C 0.4537(5) 0.1717(4) 0.7343(5) 0.0316(15) Uani 1 1 d . . .
C14 C 0.3458(6) 0.1380(6) 0.7331(6) 0.052(2) Uani 1 1 d . . .
H14A H 0.3151 0.1776 0.7794 0.078 Uiso 1 1 calc R . .
H14B H 0.3477 0.0792 0.7423 0.078 Uiso 1 1 calc R . .
H14C H 0.3057 0.1355 0.6769 0.078 Uiso 1 1 calc R . .
C15 C 0.5020(7) 0.1112(5) 0.6616(6) 0.053(2) Uani 1 1 d . . .
H15A H 0.4642 0.1122 0.6054 0.079 Uiso 1 1 calc R . .
H15B H 0.5006 0.0513 0.6678 0.079 Uiso 1 1 calc R . .
H15C H 0.5722 0.1313 0.6650 0.079 Uiso 1 1 calc R . .
C16 C 0.4033(5) 0.4927(4) 0.6118(4) 0.0250(14) Uani 1 1 d . . .
C17 C 0.3517(5) 0.5254(4) 0.4873(5) 0.0303(15) Uani 1 1 d . . .
H17A H 0.4045 0.5249 0.4499 0.036 Uiso 1 1 calc R . .
H17B H 0.2951 0.5602 0.4698 0.036 Uiso 1 1 calc R . .
C18 C 0.3141(5) 0.4310(4) 0.4806(4) 0.0263(14) Uani 1 1 d . . .
C19 C 0.3482(6) 0.3665(5) 0.4029(5) 0.0362(17) Uani 1 1 d . . .
H19A H 0.4222 0.3700 0.4082 0.054 Uiso 1 1 calc R . .
H19B H 0.3188 0.3810 0.3496 0.054 Uiso 1 1 calc R . .
H19C H 0.3258 0.3069 0.4009 0.054 Uiso 1 1 calc R . .
C20 C 0.2005(5) 0.4254(5) 0.4792(6) 0.0435(19) Uani 1 1 d . . .
H20A H 0.1790 0.3649 0.4747 0.065 Uiso 1 1 calc R . .
H20B H 0.1664 0.4435 0.4293 0.065 Uiso 1 1 calc R . .
H20C H 0.1826 0.4641 0.5328 0.065 Uiso 1 1 calc R . .
C21 C 0.2616(5) 0.3326(4) 0.6670(4) 0.0243(13) Uani 1 1 d . . .
C22 C 0.2430(5) 0.3788(5) 0.7485(5) 0.0366(17) Uani 1 1 d . . .
H22 H 0.2986 0.4058 0.7907 0.044 Uiso 1 1 calc R . .
C23 C 0.1466(6) 0.3872(5) 0.7710(5) 0.046(2) Uani 1 1 d . . .
H23 H 0.1367 0.4184 0.8280 0.055 Uiso 1 1 calc R . .
C24 C 0.0640(6) 0.3495(5) 0.7094(5) 0.0420(19) Uani 1 1 d . . .
H24 H -0.0029 0.3563 0.7231 0.050 Uiso 1 1 calc R . .
C25 C 0.0806(5) 0.3033(5) 0.6303(5) 0.0381(17) Uani 1 1 d . . .
H25 H 0.0256 0.2763 0.5875 0.046 Uiso 1 1 calc R . .
C26 C 0.8837(4) 0.0809(4) 0.2890(4) 0.0255(14) Uani 1 1 d . . .
C27 C 0.9078(5) 0.0913(5) 0.2115(4) 0.0294(15) Uani 1 1 d . . .
C28 C 0.9349(5) 0.0193(5) 0.1497(5) 0.0331(16) Uani 1 1 d . . .
H28 H 0.9531 0.0264 0.0970 0.040 Uiso 1 1 calc R . .
C29 C 0.9355(5) -0.0643(5) 0.1650(5) 0.0341(16) Uani 1 1 d . A .
C30 C 0.9126(5) -0.0730(5) 0.2433(5) 0.0303(15) Uani 1 1 d . . .
H30 H 0.9140 -0.1288 0.2549 0.036 Uiso 1 1 calc R . .
C31 C 0.8876(5) -0.0002(4) 0.3049(4) 0.0246(13) Uani 1 1 d . . .
C32 C 0.9637(6) -0.1444(5) 0.0964(5) 0.045(2) Uani 1 1 d . . .
C36 C 0.9019(5) 0.1828(5) 0.2127(5) 0.0320(16) Uani 1 1 d . . .
C37 C 0.9063(9) 0.3079(6) 0.1747(7) 0.065(3) Uani 1 1 d . . .
H37A H 0.8505 0.3239 0.1353 0.078 Uiso 1 1 calc R . .
H37B H 0.9683 0.3419 0.1740 0.078 Uiso 1 1 calc R . .
C38 C 0.8795(6) 0.3277(5) 0.2671(6) 0.043(2) Uani 1 1 d . . .
C39 C 0.9555(7) 0.3842(6) 0.3331(7) 0.062(3) Uani 1 1 d . . .
H39A H 0.9367 0.3898 0.3908 0.093 Uiso 1 1 calc R . .
H39B H 0.9586 0.4422 0.3226 0.093 Uiso 1 1 calc R . .
H39C H 1.0218 0.3581 0.3300 0.093 Uiso 1 1 calc R . .
C40 C 0.7731(6) 0.3628(6) 0.2710(7) 0.057(2) Uani 1 1 d . . .
H40A H 0.7243 0.3214 0.2286 0.085 Uiso 1 1 calc R . .
H40B H 0.7711 0.4197 0.2576 0.085 Uiso 1 1 calc R . .
H40C H 0.7556 0.3697 0.3294 0.085 Uiso 1 1 calc R . .
C41 C 0.8648(4) 0.0075(4) 0.3925(4) 0.0234(13) Uani 1 1 d . . .
C42 C 0.8539(5) -0.0219(4) 0.5177(4) 0.0246(13) Uani 1 1 d . . .
H41A H 0.9186 -0.0216 0.5558 0.030 Uiso 1 1 calc R . .
H41B H 0.8020 -0.0558 0.5351 0.030 Uiso 1 1 calc R . .
C43 C 0.8208(5) 0.0720(4) 0.5231(4) 0.0258(14) Uani 1 1 d . . .
C44 C 0.8817(6) 0.1371(5) 0.6001(5) 0.0374(17) Uani 1 1 d . . .
H44A H 0.9538 0.1254 0.6009 0.056 Uiso 1 1 calc R . .
H44B H 0.8602 0.1311 0.6539 0.056 Uiso 1 1 calc R . .
H44C H 0.8704 0.1968 0.5951 0.056 Uiso 1 1 calc R . .
C45 C 0.7083(5) 0.0793(5) 0.5249(6) 0.0423(19) Uani 1 1 d . . .
H45A H 0.6892 0.1392 0.5260 0.063 Uiso 1 1 calc R . .
H45B H 0.6911 0.0649 0.5767 0.063 Uiso 1 1 calc R . .
H45C H 0.6717 0.0384 0.4730 0.063 Uiso 1 1 calc R . .
C46 C 0.7056(5) 0.1680(4) 0.3344(5) 0.0278(14) Uani 1 1 d . . .
C47 C 0.6600(5) 0.1215(5) 0.2524(5) 0.0393(18) Uani 1 1 d . . .
H47 H 0.7010 0.0924 0.2108 0.047 Uiso 1 1 calc R . .
C48 C 0.5580(6) 0.1168(6) 0.2304(6) 0.050(2) Uani 1 1 d . . .
H48 H 0.5289 0.0858 0.1733 0.061 Uiso 1 1 calc R . .
C49 C 0.4953(5) 0.1568(6) 0.2902(6) 0.049(2) Uani 1 1 d . . .
H49 H 0.4238 0.1529 0.2751 0.058 Uiso 1 1 calc R . .
C50 C 0.5385(5) 0.2010(5) 0.3697(5) 0.0386(18) Uani 1 1 d . . .
H50 H 0.4980 0.2282 0.4124 0.046 Uiso 1 1 calc R . .
C51 C 0.7606(7) 0.3999(7) 0.7152(6) 0.064(3) Uani 1 1 d . . .
H51A H 0.6887 0.4154 0.7110 0.076 Uiso 1 1 calc R . .
H51B H 0.7739 0.3687 0.6563 0.076 Uiso 1 1 calc R . .
C52 C 0.1932(6) 0.0964(6) 0.2866(5) 0.050(2) Uani 1 1 d . . .
H52A H 0.1234 0.0780 0.2898 0.060 Uiso 1 1 calc R . .
H52B H 0.2222 0.1338 0.3444 0.060 Uiso 1 1 calc R . .
C53 C 0.2980(14) 0.9762(11) 0.0141(12) 0.136(6) Uiso 1 1 d . . .
H53A H 0.2273 0.9788 -0.0129 0.163 Uiso 1 1 calc R . .
H53B H 0.2991 0.9961 0.0777 0.163 Uiso 1 1 calc R . .
C54 C 0.182(2) 0.580(3) 0.002(3) 0.177(17) Uiso 0.50 1 d PD . .
H54A H 0.2095 0.5585 0.0523 0.212 Uiso 0.50 1 calc PR . .
H54B H 0.1728 0.6436 0.0273 0.212 Uiso 0.50 1 calc PR . .
C33 C 1.0801(12) -0.1329(10) 0.0846(10) 0.065(4) Uiso 0.679(16) 1 d P A 1
C34 C 0.9009(11) -0.1468(9) 0.0065(9) 0.057(4) Uiso 0.679(16) 1 d P A 1
C35 C 0.9502(13) -0.2294(11) 0.1163(11) 0.073(5) Uiso 0.679(16) 1 d P A 1
C32A C 1.043(2) -0.1973(19) 0.1381(19) 0.054(8) Uiso 0.321(16) 1 d P A 2
C33A C 0.979(3) -0.121(2) 0.020(2) 0.069(10) Uiso 0.321(16) 1 d P A 2
C34A C 0.863(2) -0.211(2) 0.083(2) 0.060(9) Uiso 0.321(16) 1 d P A 2
Cl5 Cl 0.7825(3) 0.3316(3) 0.7823(3) 0.1034(11) Uani 1 1 d . . .
Cl6 Cl 0.8373(2) 0.49617(19) 0.7531(2) 0.0920(10) Uani 1 1 d . . .
Cl7 Cl 0.2661(2) 0.00298(16) 0.25925(18) 0.0687(7) Uani 1 1 d . . .
Cl8 Cl 0.1904(2) 0.15701(19) 0.21016(18) 0.0708(7) Uani 1 1 d . . .
Cl9 Cl 0.3289(4) 0.8724(3) -0.0104(3) 0.1485(17) Uiso 1 1 d . . .
Cl10 Cl 0.3668(5) 1.0469(5) -0.0139(4) 0.191(2) Uiso 1 1 d . . .
Cl11 Cl 0.0639(19) 0.5414(15) -0.0168(15) 0.314(10) Uiso 0.50 1 d PD . .
Cl12 Cl 0.283(2) 0.583(2) -0.0459(19) 0.405(15) Uiso 0.50 1 d PD . .
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'
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'
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_3
C1 Rh1 C21 91.9(3) .
C1 Rh1 N1 78.5(3) .
C21 Rh1 N1 90.7(2) .
C1 Rh1 N2 79.2(2) .
C21 Rh1 N2 90.3(2) .
N1 Rh1 N2 157.7(2) .
C1 Rh1 Cl1 86.55(18) .
C21 Rh1 Cl1 178.03(19) .
N1 Rh1 Cl1 87.81(15) .
N2 Rh1 Cl1 90.64(15) .
C1 Rh1 Cl2 176.68(19) .
C21 Rh1 Cl2 91.17(19) .
N1 Rh1 Cl2 102.67(16) .
N2 Rh1 Cl2 99.58(16) .
Cl1 Rh1 Cl2 90.38(6) .
C26 Rh2 C46 92.3(3) .
C26 Rh2 N4 78.7(3) .
C46 Rh2 N4 90.3(2) .
C26 Rh2 N5 78.8(2) .
C46 Rh2 N5 90.9(2) .
N4 Rh2 N5 157.5(2) .
C26 Rh2 Cl3 85.95(18) .
C46 Rh2 Cl3 177.4(2) .
N4 Rh2 Cl3 87.47(16) .
N5 Rh2 Cl3 90.63(14) .
C26 Rh2 Cl4 176.16(18) .
C46 Rh2 Cl4 91.3(2) .
N4 Rh2 Cl4 102.66(17) .
N5 Rh2 Cl4 99.80(15) .
Cl3 Rh2 Cl4 90.50(6) .
C11 N1 C13 108.5(6) .
C11 N1 Rh1 114.1(4) .
C13 N1 Rh1 137.4(4) .
C16 N2 C18 108.6(5) .
C16 N2 Rh1 112.1(4) .
C18 N2 Rh1 139.2(4) .
C25 N3 C21 126.0(6) .
C36 N4 C38 110.7(6) .
C36 N4 Rh2 113.0(5) .
C38 N4 Rh2 136.1(5) .
C41 N5 C43 108.3(5) .
C41 N5 Rh2 112.4(4) .
C43 N5 Rh2 139.2(4) .
C46 N6 C50 125.5(6) .
C11 O1 C12 106.3(5) .
C16 O2 C17 105.1(5) .
C36 O3 C37 105.8(6) .
C41 O4 C42 105.5(5) .
C2 C1 C6 121.1(6) .
C2 C1 Rh1 120.1(5) .
C6 C1 Rh1 118.6(5) .
C1 C2 C3 120.4(7) .
C1 C2 C11 109.8(6) .
C3 C2 C11 129.8(7) .
C2 C3 C4 120.3(7) .
C3 C4 C5 117.8(7) .
C3 C4 C7 123.0(8) .
C5 C4 C7 119.2(7) .
C6 C5 C4 121.6(7) .
C5 C6 C1 118.8(7) .
C5 C6 C16 130.8(7) .
C1 C6 C16 110.3(6) .
C4 C7 C9 109.1(8) .
C4 C7 C10 109.2(7) .
C9 C7 C10 108.8(9) .
C4 C7 C8 112.7(8) .
C9 C7 C8 108.4(8) .
C10 C7 C8 108.7(9) .
N1 C11 O1 117.2(6) .
N1 C11 C2 117.4(6) .
O1 C11 C2 125.4(6) .
O1 C12 C13 105.6(6) .
N1 C13 C12 102.3(6) .
N1 C13 C15 109.6(6) .
C12 C13 C15 113.2(6) .
N1 C13 C14 108.9(6) .
C12 C13 C14 112.4(7) .
C15 C13 C14 110.0(7) .
N2 C16 O2 117.9(6) .
N2 C16 C6 119.6(6) .
O2 C16 C6 122.4(6) .
O2 C17 C18 105.0(5) .
N2 C18 C20 109.5(6) .
N2 C18 C19 111.7(5) .
C20 C18 C19 112.3(6) .
N2 C18 C17 100.7(5) .
C20 C18 C17 111.4(5) .
C19 C18 C17 110.7(6) .
N3 C21 C22 113.9(6) .
N3 C21 Rh1 119.4(5) .
C22 C21 Rh1 126.7(5) .
C23 C22 C21 122.5(7) .
C22 C23 C24 119.5(7) .
C25 C24 C23 118.9(7) .
C24 C25 N3 119.1(7) .
C31 C26 C27 120.0(6) .
C31 C26 Rh2 120.3(5) .
C27 C26 Rh2 119.5(5) .
C26 C27 C28 119.7(7) .
C26 C27 C36 109.0(6) .
C28 C27 C36 131.3(7) .
C27 C28 C29 120.1(7) .
C30 C29 C28 119.2(6) .
C30 C29 C32 120.4(7) .
C28 C29 C32 120.4(7) .
C29 C30 C31 119.9(7) .
C26 C31 C30 121.0(6) .
C26 C31 C41 109.2(6) .
C30 C31 C41 129.9(6) .
C33A C32 C35 133.1(16) .
C33A C32 C29 110.8(15) .
C35 C32 C29 114.8(9) .
C33A C32 C32A 120.3(19) .
C35 C32 C32A 50.9(12) .
C29 C32 C32A 110.4(12) .
C33A C32 C34 42.4(14) .
C35 C32 C34 109.6(10) .
C29 C32 C34 109.2(8) .
C32A C32 C34 140.4(13) .
C33A C32 C33 65.0(15) .
C35 C32 C33 108.0(10) .
C29 C32 C33 109.1(8) .
C32A C32 C33 61.8(13) .
C34 C32 C33 105.6(9) .
C33A C32 C34A 113.6(18) .
C35 C32 C34A 47.4(12) .
C29 C32 C34A 101.2(12) .
C32A C32 C34A 98.3(16) .
C34 C32 C34A 72.8(12) .
C33 C32 C34A 148.0(13) .
N4 C36 O3 116.3(6) .
N4 C36 C27 119.7(6) .
O3 C36 C27 123.9(7) .
O3 C37 C38 107.0(6) .
C39 C38 N4 110.5(7) .
C39 C38 C40 112.2(8) .
N4 C38 C40 108.3(6) .
C39 C38 C37 113.8(8) .
N4 C38 C37 100.1(6) .
C40 C38 C37 111.3(8) .
N5 C41 O4 117.6(6) .
N5 C41 C31 119.3(6) .
O4 C41 C31 123.1(5) .
O4 C42 C43 105.3(5) .
N5 C43 C45 109.7(5) .
N5 C43 C44 111.4(5) .
C45 C43 C44 111.9(6) .
N5 C43 C42 100.9(5) .
C45 C43 C42 111.5(5) .
C44 C43 C42 111.0(5) .
N6 C46 C47 114.7(6) .
N6 C46 Rh2 118.9(5) .
C47 C46 Rh2 126.5(5) .
C48 C47 C46 121.4(7) .
C47 C48 C49 120.9(8) .
C50 C49 C48 118.2(7) .
C49 C50 N6 119.3(7) .
Cl5 C51 Cl6 111.9(5) .
Cl8 C52 Cl7 111.2(5) .
Cl10 C53 Cl9 118.2(11) .
Cl11 C54 Cl12 142(3) .
C54 Cl11 Cl11 150(3) 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C1 1.928(6) .
Rh1 C21 1.998(6) .
Rh1 N1 2.064(5) .
Rh1 N2 2.089(5) .
Rh1 Cl1 2.4343(17) .
Rh1 Cl2 2.4856(17) .
Rh2 C26 1.921(6) .
Rh2 C46 2.015(6) .
Rh2 N4 2.071(6) .
Rh2 N5 2.086(5) .
Rh2 Cl3 2.4384(17) .
Rh2 Cl4 2.4859(18) .
N1 C11 1.286(8) .
N1 C13 1.469(8) .
N2 C16 1.278(8) .
N2 C18 1.492(8) .
N3 C25 1.360(8) .
N3 C21 1.361(8) .
N4 C36 1.267(9) .
N4 C38 1.485(9) .
N5 C41 1.285(8) .
N5 C43 1.484(8) .
N6 C46 1.351(8) .
N6 C50 1.354(8) .
O1 C11 1.325(8) .
O1 C12 1.448(10) .
O2 C16 1.335(7) .
O2 C17 1.467(9) .
O3 C36 1.346(8) .
O3 C37 1.444(10) .
O4 C41 1.324(7) .
O4 C42 1.456(8) .
C1 C2 1.361(10) .
C1 C6 1.386(9) .
C2 C3 1.389(9) .
C2 C11 1.471(10) .
C3 C4 1.401(11) .
C4 C5 1.401(11) .
C4 C7 1.514(10) .
C5 C6 1.384(9) .
C6 C16 1.444(10) .
C7 C9 1.543(14) .
C7 C10 1.546(14) .
C7 C8 1.557(14) .
C12 C13 1.523(11) .
C13 C15 1.527(10) .
C13 C14 1.532(10) .
C17 C18 1.548(9) .
C18 C20 1.518(9) .
C18 C19 1.519(9) .
C21 C22 1.384(9) .
C22 C23 1.384(10) .
C23 C24 1.396(11) .
C24 C25 1.343(10) .
C26 C31 1.375(9) .
C26 C27 1.386(9) .
C27 C28 1.390(10) .
C27 C36 1.445(10) .
C28 C29 1.408(10) .
C29 C30 1.383(10) .
C29 C32 1.534(10) .
C30 C31 1.385(9) .
C31 C41 1.461(9) .
C32 C33A 1.42(3) .
C32 C35 1.481(18) .
C32 C32A 1.54(3) .
C32 C34 1.563(16) .
C32 C33 1.610(17) .
C32 C34A 1.66(3) .
C37 C38 1.535(12) .
C38 C39 1.471(13) .
C38 C40 1.531(10) .
C42 C43 1.535(8) .
C43 C45 1.511(9) .
C43 C44 1.521(10) .
C46 C47 1.389(10) .
C47 C48 1.357(10) .
C48 C49 1.394(12) .
C49 C50 1.338(11) .
C51 Cl5 1.722(11) .
C51 Cl6 1.754(10) .
C52 Cl8 1.749(9) .
C52 Cl7 1.765(9) .
C53 Cl10 1.637(18) .
C53 Cl9 1.653(16) .
C54 Cl11 1.65(2) .
C54 Cl12 1.66(2) .
Cl11 Cl11 2.36(5) 2_565
