#------------------------------------------------------------------------------
#$Date: 2018-05-23 00:17:11 +0300 (Wed, 23 May 2018) $
#$Revision: 207918 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/35/4033573.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_4033573
loop_
_publ_author_name
'Illán-Cabeza, Nuria A'
'Jiménez-Pulido, Sonia B'
'Ramírez-Expósito, María J'
'García-García, Antonio R'
'Peña-Ruiz, Tomás'
'Martínez-Martos, José M'
'Moreno-Carretero, Miguel N'
_publ_section_title
;
 Structural and theoretical studies on rhodium and iridium complexes with
 5-nitrosopyrimidines. Effects on the proteolytic regulatory enzymes of
 the renin-angiotensin system in human tumoral brain cells.
;
_journal_name_full               'Journal of inorganic biochemistry'
_journal_page_first              20
_journal_page_last               33
_journal_paper_doi               10.1016/j.jinorgbio.2014.11.004
_journal_volume                  143
_journal_year                    2015
_chemical_formula_moiety         'C26 H19 Cl N6 O8 P Rh, 2(O)'
_chemical_formula_sum            'C26 H19 Cl N6 O10 P Rh'
_chemical_formula_weight         744.80
_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                92.350(10)
_cell_angle_beta                 90.572(9)
_cell_angle_gamma                109.770(7)
_cell_formula_units_Z            4
_cell_length_a                   11.2719(10)
_cell_length_b                   16.3064(18)
_cell_length_c                   17.868(3)
_cell_measurement_reflns_used    9848
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.80
_cell_volume                     3087.0(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            76941
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.80
_exptl_absorpt_coefficient_mu    0.756
_exptl_absorpt_correction_T_max  0.9016
_exptl_absorpt_correction_T_min  0.7225
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, 2.10,2003'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.945
_refine_diff_density_min         -1.540
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         14141
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0597
_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)+(0.0642P)²+17.8174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1683
_reflns_number_gt                9848
_reflns_number_total             14141
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            RhClVIOH-12PPH3_929237.cif
_cod_data_source_block           import
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5642 2017-10-24 12:04:52Z antanas 
;
_cod_original_cell_volume        3087.0(6)
_cod_database_code               4033573
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
O4D O 0.0901(3) 0.2226(2) 0.26753(19) 0.0228(7) Uani 1 1 d . . .
O4C O 0.2304(3) 0.3623(2) 0.15062(19) 0.0237(8) Uani 1 1 d . . .
N3D N -0.0070(4) 0.1332(3) 0.3582(2) 0.0219(9) Uani 1 1 d . . .
O6D O 0.3090(3) 0.0858(2) 0.4170(2) 0.0289(8) Uani 1 1 d . . .
N1D N 0.1024(4) 0.0638(3) 0.4300(3) 0.0235(9) Uani 1 1 d . . .
O5D O 0.4059(4) 0.1777(3) 0.2919(3) 0.0399(10) Uani 1 1 d . . .
N5D N 0.3050(5) 0.1904(3) 0.2868(3) 0.0281(10) Uani 1 1 d . . .
O5C O 0.5215(4) 0.2913(3) 0.1802(3) 0.0491(13) Uani 1 1 d . . .
C2D C -0.0077(5) 0.0779(3) 0.4144(3) 0.0235(11) Uani 1 1 d . . .
N5C N 0.4338(5) 0.3196(3) 0.1712(3) 0.0311(11) Uani 1 1 d . . .
C4D C 0.0967(5) 0.1728(3) 0.3182(3) 0.0220(10) Uani 1 1 d . . .
C6D C 0.2159(5) 0.1004(3) 0.3948(3) 0.0228(10) Uani 1 1 d . . .
C4C C 0.3350(5) 0.4141(3) 0.1301(3) 0.0229(10) Uani 1 1 d . . .
C25 C 0.0870(6) 0.0598(4) 0.1681(3) 0.0362(14) Uani 1 1 d . . .
C5D C 0.2074(5) 0.1548(3) 0.3342(3) 0.0244(11) Uani 1 1 d . . .
C30 C 0.1503(6) 0.0149(4) 0.2083(4) 0.0388(15) Uani 1 1 d . . .
H30 H 0.2398 0.0335 0.2084 0.047 Uiso 1 1 calc R . .
C5C C 0.4481(5) 0.3943(3) 0.1372(3) 0.0260(11) Uani 1 1 d . . .
C29 C 0.0832(6) -0.0568(4) 0.2481(4) 0.0424(15) Uani 1 1 d . . .
H29 H 0.1270 -0.0868 0.2755 0.051 Uiso 1 1 calc R . .
C26 C -0.0436(7) 0.0310(4) 0.1675(4) 0.0436(16) Uani 1 1 d . . .
H26 H -0.0880 0.0604 0.1397 0.052 Uiso 1 1 calc R . .
C28 C -0.0457(7) -0.0844(4) 0.2481(4) 0.0486(18) Uani 1 1 d . . .
H28 H -0.0912 -0.1332 0.2758 0.058 Uiso 1 1 calc R . .
C19 C 0.0545(9) 0.1871(5) 0.0683(4) 0.066(3) Uani 1 1 d . . .
C24 C -0.0205(8) 0.2287(4) 0.1022(4) 0.059(2) Uani 1 1 d . . .
H24 H -0.0048 0.2487 0.1532 0.071 Uiso 1 1 calc R . .
C20 C 0.0308(11) 0.1568(5) -0.0079(4) 0.086(4) Uani 1 1 d . . .
H20 H 0.0793 0.1271 -0.0332 0.103 Uiso 1 1 calc R . .
C32 C 0.3580(12) 0.1989(5) 0.0159(6) 0.116(5) Uani 1 1 d . . .
H32 H 0.3616 0.2576 0.0248 0.140 Uiso 1 1 calc R . .
C31 C 0.2777(9) 0.1324(5) 0.0571(5) 0.080(3) Uani 1 1 d . . .
C36 C 0.2739(11) 0.0477(5) 0.0436(6) 0.102(5) Uani 1 1 d . . .
H36 H 0.2206 0.0023 0.0720 0.122 Uiso 1 1 calc R . .
C35 C 0.3476(13) 0.0287(6) -0.0114(8) 0.151(8) Uani 1 1 d . . .
H35 H 0.3421 -0.0300 -0.0221 0.182 Uiso 1 1 calc R . .
O2D O -0.1037(3) 0.0416(2) 0.4488(2) 0.0274(8) Uani 1 1 d . . .
N3C N 0.3405(5) 0.4881(3) 0.0982(3) 0.0234(9) Uani 1 1 d . . .
O6C O 0.6726(4) 0.4486(3) 0.1246(3) 0.0436(11) Uani 1 1 d . . .
N1C N 0.5571(5) 0.5285(3) 0.0843(3) 0.0364(12) Uani 1 1 d . . .
C6C C 0.5688(5) 0.4553(4) 0.1161(3) 0.0320(13) Uani 1 1 d . . .
C2C C 0.4512(5) 0.5498(4) 0.0755(3) 0.0287(12) Uani 1 1 d . . .
C21 C -0.0751(9) 0.1751(5) -0.0449(4) 0.060(2) Uani 1 1 d . . .
H21 H -0.0926 0.1582 -0.0965 0.073 Uiso 1 1 calc R . .
C27 C -0.1097(7) -0.0410(5) 0.2077(5) 0.0517(19) Uani 1 1 d . . .
H27 H -0.1993 -0.0605 0.2074 0.062 Uiso 1 1 calc R . .
C22 C -0.1489(10) 0.2146(6) -0.0094(5) 0.077(3) Uani 1 1 d . . .
H22 H -0.2186 0.2226 -0.0345 0.093 Uiso 1 1 calc R . .
C23 C -0.1196(9) 0.2416(5) 0.0620(5) 0.078(3) Uani 1 1 d . . .
H23 H -0.1686 0.2712 0.0869 0.093 Uiso 1 1 calc R . .
O2C O 0.4511(4) 0.6167(3) 0.0481(3) 0.0388(10) Uani 1 1 d . . .
C34 C 0.4282(14) 0.0942(6) -0.0504(8) 0.167(9) Uani 1 1 d . . .
H34 H 0.4816 0.0812 -0.0863 0.200 Uiso 1 1 calc R . .
C33 C 0.4324(15) 0.1786(6) -0.0380(7) 0.163(8) Uani 1 1 d . . .
H33 H 0.4866 0.2235 -0.0665 0.196 Uiso 1 1 calc R . .
O1W O -0.2087(4) 0.1811(3) 0.3455(3) 0.0515(13) Uani 1 1 d . . .
O2W O -0.2740(5) 0.7091(4) 0.2346(5) 0.091(2) Uani 1 1 d . . .
O3W O 0.5079(6) 0.5608(4) 0.2478(4) 0.0418(16) Uani 0.65 1 d PD . .
O4W O -0.3550(5) 0.1742(4) 0.2229(3) 0.0496(14) Uani 0.85 1 d P . .
O3W1 O 0.573(5) 0.580(4) 0.292(3) 0.33(3) Uiso 0.35 1 d PD . .
O4W1 O -0.4099(16) 0.0949(11) 0.1901(10) 0.006(3) Uiso 0.15 1 d P . .
H3B H 0.395(6) 0.999(4) 0.409(3) 0.028(17) Uiso 1 1 d . . .
H1C H 0.621(6) 0.564(4) 0.068(4) 0.032(17) Uiso 1 1 d . . .
H3A H -0.134(6) 0.695(4) 0.170(3) 0.029(17) Uiso 1 1 d . . .
H3D H -0.075(7) 0.145(5) 0.352(4) 0.06(2) Uiso 1 1 d . . .
H1B H 0.724(6) 0.987(4) 0.413(4) 0.035(17) Uiso 1 1 d . . .
H3C H 0.283(6) 0.495(4) 0.098(4) 0.025(18) Uiso 1 1 d . . .
H1D H 0.109(7) 0.029(5) 0.471(4) 0.05(2) Uiso 1 1 d . . .
Rh1 Rh 0.23238(4) 0.74732(2) 0.28334(2) 0.01996(11) Uani 1 1 d . . .
Rh2 Rh 0.26471(4) 0.26909(3) 0.21554(2) 0.02419(11) Uani 1 1 d . . .
P1 P 0.14105(12) 0.65474(8) 0.37730(7) 0.0209(3) Uani 1 1 d . . .
Cl1 Cl 0.32090(12) 0.84608(8) 0.18671(7) 0.0276(3) Uani 1 1 d . . .
Cl2 Cl 0.33361(12) 0.38063(8) 0.31316(7) 0.0260(3) Uani 1 1 d . . .
P2 P 0.17522(19) 0.15969(10) 0.12344(9) 0.0445(5) Uani 1 1 d . . .
O4B O 0.2693(3) 0.8581(2) 0.3547(2) 0.0220(7) Uani 1 1 d . . .
N5A N 0.2045(4) 0.6513(3) 0.2046(2) 0.0223(9) Uani 1 1 d . . .
O4A O 0.0519(3) 0.7364(2) 0.24508(19) 0.0206(7) Uani 1 1 d . . .
O6A O 0.1154(3) 0.5274(2) 0.0738(2) 0.0251(8) Uani 1 1 d . . .
O5A O 0.2815(3) 0.6146(2) 0.1915(2) 0.0292(8) Uani 1 1 d . . .
N1A N -0.0453(4) 0.5796(3) 0.0609(2) 0.0234(9) Uani 1 1 d . . .
H1A H -0.0688 0.5468 0.0193 0.028 Uiso 1 1 calc R . .
O2A O -0.2064(3) 0.6310(2) 0.0431(2) 0.0261(8) Uani 1 1 d . . .
N5B N 0.4091(4) 0.7631(3) 0.3152(3) 0.0258(9) Uani 1 1 d . . .
O5B O 0.4624(4) 0.7105(3) 0.3009(2) 0.0369(10) Uani 1 1 d . . .
O2B O 0.6055(4) 1.0844(2) 0.4431(2) 0.0336(9) Uani 1 1 d . . .
C7 C 0.0411(5) 0.5497(3) 0.3369(3) 0.0239(11) Uani 1 1 d . . .
C13 C 0.0354(5) 0.6914(3) 0.4349(3) 0.0250(11) Uani 1 1 d . . .
N3B N 0.4379(4) 0.9718(3) 0.3963(3) 0.0269(10) Uani 1 1 d . . .
O6B O 0.6804(4) 0.8435(3) 0.3522(3) 0.0472(12) Uani 1 1 d . . .
N3A N -0.0874(4) 0.6737(3) 0.1505(2) 0.0219(9) Uani 1 1 d . . .
N1B N 0.6401(4) 0.9619(3) 0.3996(3) 0.0290(10) Uani 1 1 d . . .
C2A C -0.1182(5) 0.6286(3) 0.0822(3) 0.0237(11) Uani 1 1 d . . .
C4A C 0.0214(5) 0.6843(3) 0.1888(3) 0.0213(10) Uani 1 1 d . . .
C5A C 0.0977(5) 0.6349(3) 0.1636(3) 0.0211(10) Uani 1 1 d . . .
C6A C 0.0614(5) 0.5767(3) 0.0981(3) 0.0220(10) Uani 1 1 d . . .
C8 C 0.0939(5) 0.4939(3) 0.2991(3) 0.0274(11) Uani 1 1 d . . .
H8 H 0.1829 0.5085 0.2986 0.033 Uiso 1 1 calc R . .
C1 C 0.2551(5) 0.6403(3) 0.4429(3) 0.0265(11) Uani 1 1 d . . .
C2B C 0.5644(5) 1.0106(3) 0.4145(3) 0.0253(11) Uani 1 1 d . . .
C4B C 0.3868(5) 0.8901(3) 0.3661(3) 0.0223(10) Uani 1 1 d . . .
C14 C 0.0064(6) 0.6569(4) 0.5057(3) 0.0301(12) Uani 1 1 d . . .
H14 H 0.0539 0.6247 0.5265 0.036 Uiso 1 1 calc R . .
C6B C 0.6034(5) 0.8783(4) 0.3664(3) 0.0299(12) Uani 1 1 d . . .
C6 C 0.3258(5) 0.7140(4) 0.4865(3) 0.0304(12) Uani 1 1 d . . .
H6 H 0.3129 0.7680 0.4805 0.036 Uiso 1 1 calc R . .
C5B C 0.4680(5) 0.8417(3) 0.3501(3) 0.0244(11) Uani 1 1 d . . .
C18 C -0.0300(6) 0.7424(4) 0.4068(3) 0.0322(13) Uani 1 1 d . . .
H18 H -0.0073 0.7692 0.3604 0.039 Uiso 1 1 calc R . .
C16 C -0.1604(6) 0.7160(4) 0.5148(3) 0.0367(14) Uani 1 1 d . . .
H16 H -0.2304 0.7219 0.5408 0.044 Uiso 1 1 calc R . .
C15 C -0.0912(6) 0.6698(4) 0.5453(3) 0.0347(13) Uani 1 1 d . . .
H15 H -0.1105 0.6467 0.5934 0.042 Uiso 1 1 calc R . .
C2 C 0.2754(6) 0.5621(4) 0.4512(4) 0.0409(15) Uani 1 1 d . . .
H2 H 0.2284 0.5119 0.4212 0.049 Uiso 1 1 calc R . .
C5 C 0.4148(6) 0.7088(5) 0.5385(4) 0.0429(15) Uani 1 1 d . . .
H5 H 0.4618 0.7588 0.5688 0.052 Uiso 1 1 calc R . .
C9 C 0.0177(6) 0.4179(4) 0.2627(4) 0.0375(14) Uani 1 1 d . . .
H9 H 0.0543 0.3805 0.2370 0.045 Uiso 1 1 calc R . .
C12 C -0.0893(6) 0.5274(4) 0.3366(4) 0.0399(15) Uani 1 1 d . . .
H12 H -0.1267 0.5648 0.3616 0.048 Uiso 1 1 calc R . .
C17 C -0.1283(6) 0.7540(5) 0.4466(3) 0.0413(15) Uani 1 1 d . . .
H17 H -0.1740 0.7882 0.4271 0.050 Uiso 1 1 calc R . .
C11 C -0.1656(6) 0.4502(5) 0.2996(5) 0.055(2) Uani 1 1 d . . .
H11 H -0.2547 0.4350 0.2995 0.066 Uiso 1 1 calc R . .
C10 C -0.1117(7) 0.3961(4) 0.2635(4) 0.0498(18) Uani 1 1 d . . .
H10 H -0.1639 0.3433 0.2388 0.060 Uiso 1 1 calc R . .
C3 C 0.3645(8) 0.5571(5) 0.5034(5) 0.057(2) Uani 1 1 d . . .
H3 H 0.3774 0.5031 0.5099 0.068 Uiso 1 1 calc R . .
C4 C 0.4344(7) 0.6308(5) 0.5460(4) 0.055(2) Uani 1 1 d . . .
H4 H 0.4967 0.6275 0.5808 0.067 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 '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
C4D O4D Rh2 109.2(3) . .
C4C O4C Rh2 108.4(3) . .
C4D N3D C2D 123.0(5) . .
C4D N3D H3D 121(5) . .
C2D N3D H3D 116(5) . .
C2D N1D C6D 126.2(4) . .
C2D N1D H1D 121(4) . .
C6D N1D H1D 112(4) . .
O5D N5D C5D 122.5(5) . .
O5D N5D Rh2 125.6(4) . .
C5D N5D Rh2 111.8(4) . .
O2D C2D N1D 121.0(5) . .
O2D C2D N3D 121.6(5) . .
N1D C2D N3D 117.4(5) . .
O5C N5C C5C 122.6(5) . .
O5C N5C Rh2 124.2(4) . .
C5C N5C Rh2 112.7(4) . .
O4D C4D N3D 119.4(5) . .
O4D C4D C5D 122.4(5) . .
N3D C4D C5D 118.2(4) . .
O6D C6D N1D 119.4(5) . .
O6D C6D C5D 127.6(5) . .
N1D C6D C5D 113.0(4) . .
O4C C4C N3C 120.1(5) . .
O4C C4C C5C 121.6(5) . .
N3C C4C C5C 118.3(5) . .
C26 C25 C30 119.1(5) . .
C26 C25 P2 120.5(5) . .
C30 C25 P2 120.2(5) . .
N5D C5D C4D 115.0(5) . .
N5D C5D C6D 122.9(5) . .
C4D C5D C6D 122.1(4) . .
C29 C30 C25 120.3(6) . .
C29 C30 H30 119.8 . .
C25 C30 H30 119.8 . .
N5C C5C C4C 114.0(5) . .
N5C C5C C6C 124.2(5) . .
C4C C5C C6C 121.5(5) . .
C28 C29 C30 120.4(6) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C25 C26 C27 119.9(6) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C29 C28 C27 119.9(6) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C24 C19 C20 119.8(9) . .
C24 C19 P2 120.8(5) . .
C20 C19 P2 119.1(9) . .
C19 C24 C23 120.6(8) . .
C19 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C19 C20 C21 114.8(10) . .
C19 C20 H20 122.6 . .
C21 C20 H20 122.6 . .
C33 C32 C31 119.4(8) . .
C33 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
C36 C31 C32 119.5(7) . .
C36 C31 P2 121.9(6) . .
C32 C31 P2 118.5(6) . .
C31 C36 C35 120.1(8) . .
C31 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C34 C35 C36 120.2(9) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C4C N3C C2C 124.1(5) . .
C4C N3C H3C 113(5) . .
C2C N3C H3C 122(5) . .
C2C N1C C6C 128.2(5) . .
C2C N1C H1C 114(4) . .
C6C N1C H1C 118(4) . .
O6C C6C N1C 120.2(5) . .
O6C C6C C5C 127.5(5) . .
N1C C6C C5C 112.3(5) . .
O2C C2C N1C 123.2(5) . .
O2C C2C N3C 121.4(5) . .
N1C C2C N3C 115.3(5) . .
C22 C21 C20 123.9(7) . .
C22 C21 H21 118.0 . .
C20 C21 H21 118.0 . .
C28 C27 C26 120.4(7) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C23 C22 C21 117.4(10) . .
C23 C22 H22 121.3 . .
C21 C22 H22 121.3 . .
C22 C23 C24 123.5(12) . .
C22 C23 H23 118.3 . .
C24 C23 H23 118.3 . .
C35 C34 C33 120.3(9) . .
C35 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C34 C33 C32 120.4(8) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
N5B Rh1 N5A 99.60(17) . .
N5B Rh1 O4B 80.56(16) . .
N5A Rh1 O4B 172.90(16) . .
N5B Rh1 O4A 176.50(17) . .
N5A Rh1 O4A 80.38(15) . .
O4B Rh1 O4A 99.03(13) . .
N5B Rh1 P1 94.82(14) . .
N5A Rh1 P1 94.54(13) . .
O4B Rh1 P1 92.52(10) . .
O4A Rh1 P1 88.67(10) . .
N5B Rh1 Cl1 86.92(14) . .
N5A Rh1 Cl1 86.63(12) . .
O4B Rh1 Cl1 86.29(10) . .
O4A Rh1 Cl1 89.59(10) . .
P1 Rh1 Cl1 177.71(5) . .
N5C Rh2 N5D 98.74(19) . .
N5C Rh2 O4C 80.71(17) . .
N5D Rh2 O4C 173.57(16) . .
N5C Rh2 O4D 176.26(17) . .
N5D Rh2 O4D 81.30(16) . .
O4C Rh2 O4D 98.82(14) . .
N5C Rh2 P2 97.92(15) . .
N5D Rh2 P2 94.92(14) . .
O4C Rh2 P2 91.50(11) . .
O4D Rh2 P2 85.80(11) . .
N5C Rh2 Cl2 87.80(14) . .
N5D Rh2 Cl2 86.71(14) . .
O4C Rh2 Cl2 86.86(10) . .
O4D Rh2 Cl2 88.47(10) . .
P2 Rh2 Cl2 173.73(6) . .
C1 P1 C13 104.8(2) . .
C1 P1 C7 110.2(2) . .
C13 P1 C7 104.0(2) . .
C1 P1 Rh1 113.28(19) . .
C13 P1 Rh1 113.97(18) . .
C7 P1 Rh1 110.13(17) . .
C31 P2 C25 107.1(3) . .
C31 P2 C19 107.1(5) . .
C25 P2 C19 104.4(3) . .
C31 P2 Rh2 118.6(3) . .
C25 P2 Rh2 109.0(2) . .
C19 P2 Rh2 109.7(3) . .
C4B O4B Rh1 107.9(3) . .
O5A N5A C5A 122.9(4) . .
O5A N5A Rh1 123.3(3) . .
C5A N5A Rh1 113.6(3) . .
C4A O4A Rh1 109.6(3) . .
C2A N1A C6A 126.5(4) . .
C2A N1A H1A 116.7 . .
C6A N1A H1A 116.7 . .
O5B N5B C5B 122.8(4) . .
O5B N5B Rh1 124.5(3) . .
C5B N5B Rh1 112.6(3) . .
C12 C7 C8 118.9(5) . .
C12 C7 P1 120.2(4) . .
C8 C7 P1 120.6(4) . .
C18 C13 C14 119.5(5) . .
C18 C13 P1 121.6(4) . .
C14 C13 P1 118.3(4) . .
C4B N3B C2B 123.8(5) . .
C4B N3B H3B 121(5) . .
C2B N3B H3B 115(5) . .
C4A N3A C2A 123.0(5) . .
C4A N3A H3A 116(5) . .
C2A N3A H3A 121(5) . .
C2B N1B C6B 126.8(5) . .
C2B N1B H1B 117(4) . .
C6B N1B H1B 116(4) . .
O2A C2A N1A 121.7(5) . .
O2A C2A N3A 122.0(5) . .
N1A C2A N3A 116.3(5) . .
O4A C4A N3A 119.5(5) . .
O4A C4A C5A 122.1(4) . .
N3A C4A C5A 118.4(4) . .
N5A C5A C4A 113.7(4) . .
N5A C5A C6A 125.4(4) . .
C4A C5A C6A 120.9(4) . .
O6A C6A N1A 119.6(5) . .
O6A C6A C5A 126.6(5) . .
N1A C6A C5A 113.8(4) . .
C9 C8 C7 120.5(5) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C2 C1 C6 119.6(5) . .
C2 C1 P1 124.0(4) . .
C6 C1 P1 116.4(4) . .
O2B C2B N1B 122.3(5) . .
O2B C2B N3B 121.2(5) . .
N1B C2B N3B 116.6(5) . .
O4B C4B N3B 119.6(5) . .
O4B C4B C5B 122.1(5) . .
N3B C4B C5B 118.3(5) . .
C15 C14 C13 120.0(5) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
O6B C6B N1B 120.9(5) . .
O6B C6B C5B 126.2(5) . .
N1B C6B C5B 112.9(5) . .
C5 C6 C1 120.4(6) . .
C5 C6 H6 119.8 . .
C1 C6 H6 119.8 . .
N5B C5B C4B 113.6(5) . .
N5B C5B C6B 124.7(5) . .
C4B C5B C6B 121.5(5) . .
C17 C18 C13 119.8(5) . .
C17 C18 H18 120.1 . .
C13 C18 H18 120.1 . .
C15 C16 C17 120.4(6) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C16 C15 C14 119.9(5) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C1 C2 C3 119.9(6) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C5 C6 119.4(6) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C8 C9 C10 120.0(6) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C7 C12 C11 120.0(6) . .
C7 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C18 C17 C16 120.2(6) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C10 C11 C12 120.0(6) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C11 C10 C9 120.5(6) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C4 C3 C2 119.9(7) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C5 C4 C3 120.8(6) . .
C5 C4 H4 119.6 . .
C3 C4 H4 119.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O4D C4D 1.259(6) .
O4D Rh2 2.097(3) .
O4C C4C 1.264(6) .
O4C Rh2 2.083(3) .
N3D C4D 1.355(7) .
N3D C2D 1.375(6) .
N3D H3D 0.86(8) .
O6D C6D 1.218(6) .
N1D C2D 1.364(7) .
N1D C6D 1.385(7) .
N1D H1D 0.95(7) .
O5D N5D 1.226(6) .
N5D C5D 1.375(6) .
N5D Rh2 1.997(4) .
O5C N5C 1.237(6) .
C2D O2D 1.229(6) .
N5C C5C 1.346(7) .
N5C Rh2 1.990(5) .
C4D C5D 1.404(7) .
C6D C5D 1.451(7) .
C4C N3C 1.339(7) .
C4C C5C 1.422(7) .
C25 C26 1.386(9) .
C25 C30 1.395(9) .
C25 P2 1.818(6) .
C30 C29 1.387(8) .
C30 H30 0.9500 .
C5C C6C 1.452(8) .
C29 C28 1.368(9) .
C29 H29 0.9500 .
C26 C27 1.392(9) .
C26 H26 0.9500 .
C28 C27 1.386(10) .
C28 H28 0.9500 .
C19 C24 1.380(13) .
C19 C20 1.421(10) .
C19 P2 1.855(10) .
C24 C23 1.402(11) .
C24 H24 0.9500 .
C20 C21 1.481(14) .
C20 H20 0.9500 .
C32 C33 1.385(13) .
C32 C31 1.397(10) .
C32 H32 0.9500 .
C31 C36 1.378(11) .
C31 P2 1.808(8) .
C36 C35 1.385(11) .
C36 H36 0.9500 .
C35 C34 1.367(12) .
C35 H35 0.9500 .
N3C C2C 1.388(7) .
N3C H3C 0.69(6) .
O6C C6C 1.220(7) .
N1C C2C 1.361(7) .
N1C C6C 1.388(7) .
N1C H1C 0.82(7) .
C2C O2C 1.214(6) .
C21 C22 1.359(14) .
C21 H21 0.9500 .
C27 H27 0.9500 .
C22 C23 1.333(12) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C34 C33 1.370(15) .
C34 H34 0.9500 .
C33 H33 0.9500 .
O3W O3W1 1.04(2) .
O4W O4W1 1.337(18) .
Rh1 N5B 1.994(4) .
Rh1 N5A 2.002(4) .
Rh1 O4B 2.087(3) .
Rh1 O4A 2.087(3) .
Rh1 P1 2.3127(14) .
Rh1 Cl1 2.3970(14) .
Rh2 P2 2.3274(17) .
Rh2 Cl2 2.3898(14) .
P1 C1 1.812(5) .
P1 C13 1.815(5) .
P1 C7 1.817(5) .
O4B C4B 1.259(6) .
N5A O5A 1.228(5) .
N5A C5A 1.344(6) .
O4A C4A 1.256(6) .
O6A C6A 1.229(6) .
N1A C2A 1.371(7) .
N1A C6A 1.385(6) .
N1A H1A 0.8800 .
O2A C2A 1.222(6) .
N5B O5B 1.222(6) .
N5B C5B 1.351(7) .
O2B C2B 1.221(6) .
C7 C12 1.390(8) .
C7 C8 1.401(7) .
C13 C18 1.388(8) .
C13 C14 1.402(7) .
N3B C4B 1.347(7) .
N3B C2B 1.379(7) .
N3B H3B 0.79(6) .
O6B C6B 1.211(7) .
N3A C4A 1.354(6) .
N3A C2A 1.376(7) .
N3A H3A 0.79(6) .
N1B C2B 1.370(7) .
N1B C6B 1.388(7) .
N1B H1B 0.91(7) .
C4A C5A 1.426(7) .
C5A C6A 1.442(7) .
C8 C9 1.378(8) .
C8 H8 0.9500 .
C1 C2 1.382(8) .
C1 C6 1.396(8) .
C4B C5B 1.420(7) .
C14 C15 1.383(8) .
C14 H14 0.9500 .
C6B C5B 1.460(7) .
C6 C5 1.386(8) .
C6 H6 0.9500 .
C18 C17 1.385(8) .
C18 H18 0.9500 .
C16 C15 1.377(9) .
C16 C17 1.386(9) .
C16 H16 0.9500 .
C15 H15 0.9500 .
C2 C3 1.389(9) .
C2 H2 0.9500 .
C5 C4 1.375(10) .
C5 H5 0.9500 .
C9 C10 1.380(9) .
C9 H9 0.9500 .
C12 C11 1.396(8) .
C12 H12 0.9500 .
C17 H17 0.9500 .
C11 C10 1.374(10) .
C11 H11 0.9500 .
C10 H10 0.9500 .
C3 C4 1.386(11) .
C3 H3 0.9500 .
C4 H4 0.9500 .
