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#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/87/4338702.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_4338702
loop_
_publ_author_name
'Srinivasan, Alagar'
'Toganoh, Motoki'
'Niino, Teppei'
'Osuka, Atsuhiro'
'Furuta, Hiroyuki'
_publ_section_title
;
 Synthesis of N-confused tetraphenylporphyrin rhodium complexes having
 versatile metal oxidation states.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11305
_journal_page_last               11313
_journal_paper_doi               10.1021/ic061093+
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'C48 H29 Cl N4 O4 Rh2, 0.5 (H2 O), 0.5 (C H2 Cl2)'
_chemical_formula_sum            'C48.5 H31 Cl2 N4 O4.5 Rh2'
_chemical_formula_weight         1018.49
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 111.3050(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.0381(3)
_cell_length_b                   31.4290(5)
_cell_length_c                   17.1686(3)
_cell_measurement_temperature    296(2)
_cell_volume                     9068.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8010
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.8775
_exptl_absorpt_correction_T_min  0.4999
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4080
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         8010
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0357
_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)+(0.0824P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                6493
_reflns_number_total             8010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061093%2B_si_005.cif
_cod_data_source_block           Rh2(NCTPP)Cl(CO)4
_cod_original_formula_sum        'C48.50 H31 Cl2 N4 O4.50 Rh2'
_cod_database_code               4338702
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+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
C1 C 0.3999(2) -0.09830(11) 0.3718(2) 0.0443(8) Uani 1 1 d .
H1 H 0.4367 -0.1148 0.3589 0.053 Uiso 1 1 calc R
C2 C 0.4116(2) -0.05403(10) 0.3936(2) 0.0391(7) Uani 1 1 d .
C3 C 0.34305(19) -0.04258(10) 0.4086(2) 0.0382(7) Uani 1 1 d .
H2 H 0.3323 -0.0158 0.4251 0.046 Uiso 1 1 calc R
C4 C 0.2936(2) -0.07809(10) 0.3946(2) 0.0394(7) Uani 1 1 d .
C5 C 0.2173(2) -0.08181(10) 0.4008(2) 0.0404(7) Uani 1 1 d .
C6 C 0.1709(2) -0.04612(11) 0.4027(2) 0.0429(8) Uani 1 1 d .
C7 C 0.1141(2) -0.04485(12) 0.4425(3) 0.0541(9) Uani 1 1 d .
H3 H 0.0969 -0.0680 0.4651 0.065 Uiso 1 1 calc R
C8 C 0.0896(3) -0.00454(12) 0.4419(3) 0.0553(10) Uani 1 1 d .
H4 H 0.0538 0.0055 0.4652 0.066 Uiso 1 1 calc R
C9 C 0.1289(2) 0.02014(11) 0.3986(2) 0.0442(8) Uani 1 1 d .
C10 C 0.1218(2) 0.06427(10) 0.3842(2) 0.0415(7) Uani 1 1 d .
C11 C 0.1736(2) 0.08824(11) 0.3569(2) 0.0438(8) Uani 1 1 d .
C12 C 0.1700(2) 0.13367(11) 0.3464(3) 0.0510(9) Uani 1 1 d .
H5 H 0.1317 0.1517 0.3528 0.061 Uiso 1 1 calc R
C13 C 0.2317(2) 0.14508(11) 0.3259(3) 0.0520(9) Uani 1 1 d .
H6 H 0.2434 0.1726 0.3143 0.062 Uiso 1 1 calc R
C14 C 0.2769(2) 0.10781(10) 0.3248(2) 0.0420(7) Uani 1 1 d .
C15 C 0.3527(2) 0.10990(11) 0.3191(2) 0.0433(8) Uani 1 1 d .
C16 C 0.4110(2) 0.07812(11) 0.3399(2) 0.0414(7) Uani 1 1 d .
C17 C 0.4932(2) 0.08316(12) 0.3522(2) 0.0503(9) Uani 1 1 d .
H7 H 0.5174 0.1082 0.3449 0.060 Uiso 1 1 calc R
C18 C 0.5300(2) 0.04484(12) 0.3764(2) 0.0486(8) Uani 1 1 d .
H8 H 0.5839 0.0395 0.3896 0.058 Uiso 1 1 calc R
C19 C 0.4724(2) 0.01445(11) 0.3783(2) 0.0397(7) Uani 1 1 d .
C20 C 0.47796(19) -0.02958(11) 0.3911(2) 0.0388(7) Uani 1 1 d .
N1 N 0.33234(17) -0.11304(9) 0.37193(18) 0.0428(6) Uani 1 1 d .
N2 N 0.17780(17) -0.00558(8) 0.37475(18) 0.0406(6) Uani 1 1 d .
N3 N 0.23825(17) 0.07270(8) 0.34056(18) 0.0410(6) Uani 1 1 d .
N4 N 0.40249(16) 0.03701(9) 0.35848(18) 0.0412(6) Uani 1 1 d .
H9 H 0.3585 0.0262 0.3580 0.049 Uiso 1 1 calc R
C21 C 0.1854(2) -0.12398(10) 0.4111(2) 0.0442(8) Uani 1 1 d .
C22 C 0.2318(3) -0.15330(11) 0.4697(2) 0.0508(9) Uani 1 1 d .
H10 H 0.2843 -0.1469 0.5020 0.061 Uiso 1 1 calc R
C23 C 0.1994(3) -0.19222(12) 0.4801(3) 0.0649(12) Uani 1 1 d .
H11 H 0.2308 -0.2117 0.5190 0.078 Uiso 1 1 calc R
C24 C 0.1220(3) -0.20216(12) 0.4339(3) 0.0649(12) Uani 1 1 d .
H12 H 0.1006 -0.2279 0.4422 0.078 Uiso 1 1 calc R
C25 C 0.0762(3) -0.17395(13) 0.3754(3) 0.0652(12) Uani 1 1 d .
H13 H 0.0239 -0.1809 0.3433 0.078 Uiso 1 1 calc R
C26 C 0.1070(2) -0.13492(12) 0.3631(3) 0.0538(9) Uani 1 1 d .
H14 H 0.0753 -0.1161 0.3229 0.065 Uiso 1 1 calc R
C27 C 0.0588(2) 0.08758(10) 0.4043(2) 0.0413(7) Uani 1 1 d .
C28 C -0.0199(2) 0.08322(14) 0.3558(3) 0.0643(11) Uani 1 1 d .
H15 H -0.0347 0.0637 0.3122 0.077 Uiso 1 1 calc R
C29 C -0.0777(3) 0.10697(16) 0.3699(3) 0.0674(12) Uani 1 1 d .
H16 H -0.1306 0.1042 0.3345 0.081 Uiso 1 1 calc R
C30 C -0.0579(3) 0.13425(14) 0.4349(3) 0.0618(11) Uani 1 1 d .
H17 H -0.0972 0.1503 0.4444 0.074 Uiso 1 1 calc R
C31 C 0.0189(3) 0.1383(2) 0.4863(4) 0.100(2) Uani 1 1 d .
H18 H 0.0325 0.1567 0.5318 0.120 Uiso 1 1 calc R
C32 C 0.0776(3) 0.11495(19) 0.4712(3) 0.0853(16) Uani 1 1 d .
H19 H 0.1304 0.1179 0.5068 0.102 Uiso 1 1 calc R
C33 C 0.3758(2) 0.15261(11) 0.2966(2) 0.0472(8) Uani 1 1 d .
C34 C 0.4052(3) 0.18369(14) 0.3564(3) 0.0679(12) Uani 1 1 d .
H20 H 0.4148 0.1775 0.4122 0.081 Uiso 1 1 calc R
C35 C 0.4209(3) 0.22458(15) 0.3338(4) 0.0774(14) Uani 1 1 d .
H21 H 0.4395 0.2457 0.3741 0.093 Uiso 1 1 calc R
C36 C 0.4084(3) 0.23318(15) 0.2511(4) 0.0780(14) Uani 1 1 d .
H22 H 0.4172 0.2604 0.2351 0.094 Uiso 1 1 calc R
C37 C 0.3829(3) 0.20158(17) 0.1930(3) 0.0796(14) Uani 1 1 d .
H23 H 0.3768 0.2071 0.1378 0.096 Uiso 1 1 calc R
C38 C 0.3663(3) 0.16171(14) 0.2150(3) 0.0620(11) Uani 1 1 d .
H24 H 0.3483 0.1406 0.1744 0.074 Uiso 1 1 calc R
C39 C 0.55124(19) -0.05240(11) 0.3957(2) 0.0417(7) Uani 1 1 d .
C40 C 0.5894(2) -0.04316(13) 0.3392(2) 0.0538(9) Uani 1 1 d .
H25 H 0.5699 -0.0216 0.2999 0.065 Uiso 1 1 calc R
C41 C 0.6559(2) -0.06617(17) 0.3420(3) 0.0686(12) Uani 1 1 d .
H26 H 0.6809 -0.0600 0.3045 0.082 Uiso 1 1 calc R
C42 C 0.6847(3) -0.09775(18) 0.3992(3) 0.0802(15) Uani 1 1 d .
H27 H 0.7295 -0.1129 0.4006 0.096 Uiso 1 1 calc R
C43 C 0.6484(3) -0.10772(16) 0.4552(3) 0.0734(13) Uani 1 1 d .
H28 H 0.6686 -0.1294 0.4939 0.088 Uiso 1 1 calc R
C44 C 0.5816(2) -0.08507(13) 0.4532(2) 0.0546(9) Uani 1 1 d .
H29 H 0.5569 -0.0918 0.4907 0.066 Uiso 1 1 calc R
Rh1 Rh 0.308313(18) -0.178056(9) 0.34543(2) 0.04973(11) Uani 1 1 d .
C45 C 0.3035(3) -0.23572(15) 0.3246(3) 0.0711(12) Uani 1 1 d .
O1 O 0.3045(3) -0.27107(11) 0.3134(3) 0.1112(14) Uani 1 1 d .
C46 C 0.2231(3) -0.16859(14) 0.2480(3) 0.0671(11) Uani 1 1 d .
O2 O 0.1712(3) -0.16322(14) 0.1887(3) 0.1122(14) Uani 1 1 d .
Cl1 Cl 0.41837(7) -0.19280(4) 0.46738(9) 0.0799(3) Uani 1 1 d .
Rh2 Rh 0.211408(16) 0.014348(8) 0.277065(16) 0.03999(10) Uani 1 1 d .
C47 C 0.1739(3) -0.03570(14) 0.2181(3) 0.0582(10) Uani 1 1 d .
O3 O 0.1474(3) -0.06481(12) 0.1793(2) 0.0976(12) Uani 1 1 d .
C48 C 0.2404(2) 0.03376(14) 0.1900(3) 0.0570(10) Uani 1 1 d .
O4 O 0.2602(2) 0.04472(13) 0.1377(2) 0.0918(11) Uani 1 1 d .
C49 C 0.2045 0.2303 0.5319 0.210(10) Uiso 0.50 1 d P
H30 H 0.1830 0.2302 0.5762 0.251 Uiso 0.50 1 calc PR
H31 H 0.2030 0.2006 0.5165 0.251 Uiso 0.50 1 calc PR
Cl2 Cl 0.1087 0.2460 0.4449 0.658(18) Uiso 0.50 1 d P
Cl3 Cl 0.3093 0.2312 0.6004 0.715(19) Uiso 0.50 1 d P
O5 O 0.5000 0.1795 0.7500 0.312(8) Uiso 1 2 d S
H32 H 0.5470 0.1630 0.7553 0.375 Uiso 0.50 1 d P
H33 H 0.4530 0.1630 0.7447 0.375 Uiso 0.50 1 d P
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'
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'
Cl Cl 0.1484 0.1585 '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'
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
N1 C1 C2 113.1(3) .
N1 C1 H1 123.4 .
C2 C1 H1 123.4 .
C3 C2 C20 132.1(3) .
C3 C2 C1 103.9(3) .
C20 C2 C1 123.8(3) .
C4 C3 C2 108.4(3) .
C4 C3 H2 125.8 .
C2 C3 H2 125.8 .
C3 C4 C5 129.0(3) .
C3 C4 N1 108.4(3) .
C5 C4 N1 122.6(3) .
C6 C5 C4 122.4(3) .
C6 C5 C21 116.8(3) .
C4 C5 C21 120.7(3) .
N2 C6 C5 126.7(3) .
N2 C6 C7 108.1(3) .
C5 C6 C7 124.9(3) .
C8 C7 C6 108.4(3) .
C8 C7 H3 125.8 .
C6 C7 H3 125.8 .
C7 C8 C9 107.0(3) .
C7 C8 H4 126.5 .
C9 C8 H4 126.5 .
N2 C9 C10 124.0(3) .
N2 C9 C8 109.4(3) .
C10 C9 C8 126.6(3) .
C9 C10 C11 123.9(3) .
C9 C10 C27 118.1(3) .
C11 C10 C27 117.9(3) .
N3 C11 C10 126.1(3) .
N3 C11 C12 109.2(3) .
C10 C11 C12 124.6(3) .
C13 C12 C11 107.2(3) .
C13 C12 H5 126.4 .
C11 C12 H5 126.4 .
C12 C13 C14 108.6(3) .
C12 C13 H6 125.7 .
C14 C13 H6 125.7 .
N3 C14 C15 128.5(3) .
N3 C14 C13 108.6(3) .
C15 C14 C13 122.4(3) .
C16 C15 C14 127.4(3) .
C16 C15 C33 116.9(3) .
C14 C15 C33 115.3(3) .
N4 C16 C15 127.1(3) .
N4 C16 C17 105.7(3) .
C15 C16 C17 127.0(3) .
C18 C17 C16 108.1(3) .
C18 C17 H7 125.9 .
C16 C17 H7 125.9 .
C17 C18 C19 108.8(3) .
C17 C18 H8 125.6 .
C19 C18 H8 125.6 .
N4 C19 C20 123.7(3) .
N4 C19 C18 105.0(3) .
C20 C19 C18 131.2(3) .
C19 C20 C2 121.4(3) .
C19 C20 C39 119.9(3) .
C2 C20 C39 118.5(3) .
C1 N1 C4 106.1(3) .
C1 N1 Rh1 117.6(2) .
C4 N1 Rh1 136.2(2) .
C9 N2 C6 107.0(3) .
C9 N2 Rh2 118.3(2) .
C6 N2 Rh2 130.3(2) .
C11 N3 C14 106.3(3) .
C11 N3 Rh2 111.2(2) .
C14 N3 Rh2 129.3(2) .
C16 N4 C19 112.2(3) .
C16 N4 H9 123.9 .
C19 N4 H9 123.9 .
C22 C21 C26 118.4(3) .
C22 C21 C5 121.3(3) .
C26 C21 C5 120.3(3) .
C23 C22 C21 120.1(4) .
C23 C22 H10 119.9 .
C21 C22 H10 119.9 .
C24 C23 C22 120.8(4) .
C24 C23 H11 119.6 .
C22 C23 H11 119.6 .
C23 C24 C25 119.6(4) .
C23 C24 H12 120.2 .
C25 C24 H12 120.2 .
C24 C25 C26 120.9(4) .
C24 C25 H13 119.6 .
C26 C25 H13 119.6 .
C25 C26 C21 120.1(4) .
C25 C26 H14 120.0 .
C21 C26 H14 120.0 .
C28 C27 C32 117.3(3) .
C28 C27 C10 121.3(3) .
C32 C27 C10 121.4(3) .
C27 C28 C29 121.7(4) .
C27 C28 H15 119.1 .
C29 C28 H15 119.1 .
C30 C29 C28 120.1(4) .
C30 C29 H16 120.0 .
C28 C29 H16 120.0 .
C29 C30 C31 120.0(4) .
C29 C30 H17 120.0 .
C31 C30 H17 120.0 .
C30 C31 C32 119.9(4) .
C30 C31 H18 120.0 .
C32 C31 H18 120.0 .
C27 C32 C31 120.9(4) .
C27 C32 H19 119.6 .
C31 C32 H19 119.6 .
C34 C33 C38 118.9(4) .
C34 C33 C15 120.8(3) .
C38 C33 C15 120.3(3) .
C33 C34 C35 120.4(4) .
C33 C34 H20 119.8 .
C35 C34 H20 119.8 .
C36 C35 C34 119.4(5) .
C36 C35 H21 120.3 .
C34 C35 H21 120.3 .
C37 C36 C35 119.7(4) .
C37 C36 H22 120.1 .
C35 C36 H22 120.1 .
C36 C37 C38 120.8(4) .
C36 C37 H23 119.6 .
C38 C37 H23 119.6 .
C37 C38 C33 120.7(4) .
C37 C38 H24 119.7 .
C33 C38 H24 119.7 .
C44 C39 C40 118.4(3) .
C44 C39 C20 120.6(3) .
C40 C39 C20 120.9(3) .
C41 C40 C39 120.1(4) .
C41 C40 H25 119.9 .
C39 C40 H25 119.9 .
C42 C41 C40 120.3(4) .
C42 C41 H26 119.9 .
C40 C41 H26 119.9 .
C41 C42 C43 121.0(4) .
C41 C42 H27 119.5 .
C43 C42 H27 119.5 .
C42 C43 C44 119.5(4) .
C42 C43 H28 120.2 .
C44 C43 H28 120.2 .
C43 C44 C39 120.6(4) .
C43 C44 H29 119.7 .
C39 C44 H29 119.7 .
C46 Rh1 C45 91.0(2) .
C46 Rh1 N1 94.47(15) .
C45 Rh1 N1 171.22(16) .
C46 Rh1 Cl1 177.55(14) .
C45 Rh1 Cl1 86.79(17) .
N1 Rh1 Cl1 87.58(9) .
O1 C45 Rh1 176.7(5) .
O2 C46 Rh1 179.4(5) .
C48 Rh2 C47 89.57(18) .
C48 Rh2 N2 178.32(15) .
C47 Rh2 N2 91.69(15) .
C48 Rh2 N3 92.97(15) .
C47 Rh2 N3 172.58(15) .
N2 Rh2 N3 85.64(11) .
O3 C47 Rh2 176.0(4) .
O4 C48 Rh2 177.7(4) .
Cl3 C49 Cl2 159.693(1) .
Cl3 C49 H30 96.3 .
Cl2 C49 H30 96.3 .
Cl3 C49 H31 96.3 .
Cl2 C49 H31 96.3 .
H30 C49 H31 103.4 .
C49 Cl2 Cl3 79.121(1) 7_556
C49 Cl3 Cl2 118.977(1) 7_556
H32 O5 H33 115.319(1) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.305(4) .
C1 C2 1.436(5) .
C1 H1 0.9300 .
C2 C3 1.399(5) .
C2 C20 1.435(5) .
C3 C4 1.395(4) .
C3 H2 0.9300 .
C4 C5 1.422(5) .
C4 N1 1.430(4) .
C5 C6 1.407(5) .
C5 C21 1.481(4) .
C6 N2 1.383(4) .
C6 C7 1.425(5) .
C7 C8 1.341(5) .
C7 H3 0.9300 .
C8 C9 1.428(5) .
C8 H4 0.9300 .
C9 N2 1.364(4) .
C9 C10 1.407(5) .
C10 C11 1.407(5) .
C10 C27 1.494(4) .
C11 N3 1.383(4) .
C11 C12 1.437(5) .
C12 C13 1.332(5) .
C12 H5 0.9300 .
C13 C14 1.432(5) .
C13 H6 0.9300 .
C14 N3 1.384(4) .
C14 C15 1.407(5) .
C15 C16 1.399(5) .
C15 C33 1.497(4) .
C16 N4 1.353(4) .
C16 C17 1.428(5) .
C17 C18 1.365(5) .
C17 H7 0.9300 .
C18 C19 1.420(5) .
C18 H8 0.9300 .
C19 N4 1.378(4) .
C19 C20 1.399(5) .
C20 C39 1.481(5) .
N1 Rh1 2.104(3) .
N2 Rh2 2.076(3) .
N3 Rh2 2.098(3) .
N4 H9 0.8600 .
C21 C22 1.397(5) .
C21 C26 1.397(5) .
C22 C23 1.395(5) .
C22 H10 0.9300 .
C23 C24 1.367(7) .
C23 H11 0.9300 .
C24 C25 1.370(7) .
C24 H12 0.9300 .
C25 C26 1.394(5) .
C25 H13 0.9300 .
C26 H14 0.9300 .
C27 C28 1.366(5) .
C27 C32 1.376(6) .
C28 C29 1.373(6) .
C28 H15 0.9300 .
C29 C30 1.349(6) .
C29 H16 0.9300 .
C30 C31 1.352(7) .
C30 H17 0.9300 .
C31 C32 1.388(6) .
C31 H18 0.9300 .
C32 H19 0.9300 .
C33 C34 1.376(6) .
C33 C38 1.379(5) .
C34 C35 1.401(6) .
C34 H20 0.9300 .
C35 C36 1.381(7) .
C35 H21 0.9300 .
C36 C37 1.364(8) .
C36 H22 0.9300 .
C37 C38 1.373(6) .
C37 H23 0.9300 .
C38 H24 0.9300 .
C39 C44 1.392(5) .
C39 C40 1.408(5) .
C40 C41 1.386(6) .
C40 H25 0.9300 .
C41 C42 1.360(7) .
C41 H26 0.9300 .
C42 C43 1.381(7) .
C42 H27 0.9300 .
C43 C44 1.389(6) .
C43 H28 0.9300 .
C44 H29 0.9300 .
Rh1 C46 1.839(5) .
Rh1 C45 1.843(5) .
Rh1 Cl1 2.3492(13) .
C45 O1 1.128(5) .
C46 O2 1.117(6) .
Rh2 C48 1.858(4) .
Rh2 C47 1.860(4) .
C47 O3 1.130(5) .
C48 O4 1.134(5) .
C49 Cl3 1.8287 .
C49 Cl2 1.8937 .
C49 H30 0.9700 .
C49 H31 0.9700 .
Cl2 Cl3 2.0359 7_556
Cl3 Cl2 2.0359 7_556
O5 H32 0.9699 .
O5 H33 0.9699 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 0.7(4) .
N1 C1 C2 C20 -174.6(3) .
C20 C2 C3 C4 173.6(3) .
C1 C2 C3 C4 -1.1(4) .
C2 C3 C4 C5 -179.1(3) .
C2 C3 C4 N1 1.2(4) .
C3 C4 C5 C6 16.2(6) .
N1 C4 C5 C6 -164.0(3) .
C3 C4 C5 C21 -159.7(3) .
N1 C4 C5 C21 20.0(5) .
C4 C5 C6 N2 20.9(6) .
C21 C5 C6 N2 -163.0(3) .
C4 C5 C6 C7 -151.9(4) .
C21 C5 C6 C7 24.2(5) .
N2 C6 C7 C8 -2.5(5) .
C5 C6 C7 C8 171.5(4) .
C6 C7 C8 C9 2.1(5) .
C7 C8 C9 N2 -1.0(5) .
C7 C8 C9 C10 -179.0(4) .
N2 C9 C10 C11 -11.4(6) .
C8 C9 C10 C11 166.2(4) .
N2 C9 C10 C27 172.7(3) .
C8 C9 C10 C27 -9.6(6) .
C9 C10 C11 N3 -0.2(6) .
C27 C10 C11 N3 175.6(3) .
C9 C10 C11 C12 -176.3(4) .
C27 C10 C11 C12 -0.4(5) .
N3 C11 C12 C13 -1.1(4) .
C10 C11 C12 C13 175.5(4) .
C11 C12 C13 C14 -1.4(5) .
C12 C13 C14 N3 3.4(4) .
C12 C13 C14 C15 -169.1(4) .
N3 C14 C15 C16 -9.9(6) .
C13 C14 C15 C16 161.1(4) .
N3 C14 C15 C33 176.9(3) .
C13 C14 C15 C33 -12.2(5) .
C14 C15 C16 N4 10.0(6) .
C33 C15 C16 N4 -176.9(3) .
C14 C15 C16 C17 -164.7(4) .
C33 C15 C16 C17 8.5(6) .
N4 C16 C17 C18 0.8(4) .
C15 C16 C17 C18 176.4(4) .
C16 C17 C18 C19 1.3(4) .
C17 C18 C19 N4 -2.9(4) .
C17 C18 C19 C20 173.1(4) .
N4 C19 C20 C2 -7.1(5) .
C18 C19 C20 C2 177.5(4) .
N4 C19 C20 C39 167.9(3) .
C18 C19 C20 C39 -7.4(6) .
C3 C2 C20 C19 -20.8(5) .
C1 C2 C20 C19 153.0(3) .
C3 C2 C20 C39 164.1(3) .
C1 C2 C20 C39 -22.1(5) .
C2 C1 N1 C4 0.0(4) .
C2 C1 N1 Rh1 -177.8(2) .
C3 C4 N1 C1 -0.8(4) .
C5 C4 N1 C1 179.5(3) .
C3 C4 N1 Rh1 176.6(2) .
C5 C4 N1 Rh1 -3.2(5) .
C10 C9 N2 C6 177.5(4) .
C8 C9 N2 C6 -0.5(4) .
C10 C9 N2 Rh2 -23.5(5) .
C8 C9 N2 Rh2 158.5(3) .
C5 C6 N2 C9 -172.1(4) .
C7 C6 N2 C9 1.8(4) .
C5 C6 N2 Rh2 32.4(5) .
C7 C6 N2 Rh2 -153.8(3) .
C10 C11 N3 C14 -173.4(4) .
C12 C11 N3 C14 3.2(4) .
C10 C11 N3 Rh2 41.6(4) .
C12 C11 N3 Rh2 -141.9(3) .
C15 C14 N3 C11 168.0(4) .
C13 C14 N3 C11 -4.0(4) .
C15 C14 N3 Rh2 -55.6(5) .
C13 C14 N3 Rh2 132.4(3) .
C15 C16 N4 C19 -178.3(3) .
C17 C16 N4 C19 -2.8(4) .
C20 C19 N4 C16 -172.8(3) .
C18 C19 N4 C16 3.5(4) .
C6 C5 C21 C22 -129.0(4) .
C4 C5 C21 C22 47.2(5) .
C6 C5 C21 C26 49.5(5) .
C4 C5 C21 C26 -134.3(4) .
C26 C21 C22 C23 -0.7(5) .
C5 C21 C22 C23 177.8(3) .
C21 C22 C23 C24 -0.6(6) .
C22 C23 C24 C25 1.4(6) .
C23 C24 C25 C26 -1.0(6) .
C24 C25 C26 C21 -0.3(6) .
C22 C21 C26 C25 1.2(5) .
C5 C21 C26 C25 -177.4(3) .
C9 C10 C27 C28 -72.4(5) .
C11 C10 C27 C28 111.5(4) .
C9 C10 C27 C32 109.0(5) .
C11 C10 C27 C32 -67.1(5) .
C32 C27 C28 C29 3.9(7) .
C10 C27 C28 C29 -174.8(4) .
C27 C28 C29 C30 -2.7(8) .
C28 C29 C30 C31 0.1(8) .
C29 C30 C31 C32 1.2(9) .
C28 C27 C32 C31 -2.5(8) .
C10 C27 C32 C31 176.2(5) .
C30 C31 C32 C27 0.0(10) .
C16 C15 C33 C34 -92.6(5) .
C14 C15 C33 C34 81.4(5) .
C16 C15 C33 C38 88.8(4) .
C14 C15 C33 C38 -97.3(4) .
C38 C33 C34 C35 3.6(7) .
C15 C33 C34 C35 -175.0(4) .
C33 C34 C35 C36 -1.6(7) .
C34 C35 C36 C37 -1.6(8) .
C35 C36 C37 C38 2.8(8) .
C36 C37 C38 C33 -0.8(8) .
C34 C33 C38 C37 -2.4(7) .
C15 C33 C38 C37 176.2(4) .
C19 C20 C39 C44 140.4(4) .
C2 C20 C39 C44 -44.4(5) .
C19 C20 C39 C40 -43.0(5) .
C2 C20 C39 C40 132.2(4) .
C44 C39 C40 C41 -0.4(6) .
C20 C39 C40 C41 -177.1(4) .
C39 C40 C41 C42 0.0(7) .
C40 C41 C42 C43 0.3(8) .
C41 C42 C43 C44 -0.2(8) .
C42 C43 C44 C39 -0.3(7) .
C40 C39 C44 C43 0.6(6) .
C20 C39 C44 C43 177.3(4) .
C1 N1 Rh1 C46 -115.3(3) .
C4 N1 Rh1 C46 67.6(4) .
C1 N1 Rh1 C45 13.2(13) .
C4 N1 Rh1 C45 -163.9(12) .
C1 N1 Rh1 Cl1 63.4(3) .
C4 N1 Rh1 Cl1 -113.7(3) .
C46 Rh1 C45 O1 144(9) .
N1 Rh1 C45 O1 15(10) .
Cl1 Rh1 C45 O1 -35(9) .
C45 Rh1 C46 O2 11(72) .
N1 Rh1 C46 O2 -176(100) .
Cl1 Rh1 C46 O2 37(72) .
C9 N2 Rh2 C48 14(5) .
C6 N2 Rh2 C48 167(5) .
C9 N2 Rh2 C47 -124.9(3) .
C6 N2 Rh2 C47 28.4(3) .
C9 N2 Rh2 N3 48.2(3) .
C6 N2 Rh2 N3 -158.5(3) .
C11 N3 Rh2 C48 124.9(3) .
C14 N3 Rh2 C48 -9.9(3) .
C11 N3 Rh2 C47 15.0(12) .
C14 N3 Rh2 C47 -119.8(11) .
C11 N3 Rh2 N2 -54.2(2) .
C14 N3 Rh2 N2 171.0(3) .
C48 Rh2 C47 O3 -75(6) .
N2 Rh2 C47 O3 104(6) .
N3 Rh2 C47 O3 36(7) .
C47 Rh2 C48 O4 -76(11) .
N2 Rh2 C48 O4 145(9) .
N3 Rh2 C48 O4 111(11) .
Cl3 C49 Cl2 Cl3 25.563(2) 7_556
Cl2 C49 Cl3 Cl2 -28.972(2) 7_556
