#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/29/2232986.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2232986
loop_
_publ_author_name
'Warsink, Stefan'
'Roodt, Andreas'
_publ_section_title
;
 trans-Carbonylchloridobis[tris(4-methoxyphenyl)phosphane-κP]rhodium(I)
;
_journal_coeditor_code           WM2548
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1695
_journal_page_last               m1696
_journal_paper_doi               10.1107/S1600536811046150
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Rh Cl (C21 H21 O3 P)2 (C O)]'
_chemical_formula_moiety         'C43 H42 Cl O7 P2 Rh'
_chemical_formula_sum            'C43 H42 Cl O7 P2 Rh'
_chemical_formula_weight         871.07
_chemical_name_systematic
;
trans-Carbonylchloridobis[tris(4-methoxyphenyl)phosphane-κP]
rhodium(I)
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.995(2)
_cell_angle_beta                 99.591(2)
_cell_angle_gamma                101.220(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8350(4)
_cell_length_b                   12.3151(8)
_cell_length_c                   21.0591(13)
_cell_measurement_reflns_used    6500
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      2.91
_cell_volume                     1962.7(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0981
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            26016
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.635
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.103
_refine_diff_density_max         2.447
_refine_diff_density_min         -1.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         9327
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.052
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0711P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1444
_reflns_number_gt                6401
_reflns_number_total             9327
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            wm2548.cif
_cod_data_source_block           I
_cod_database_code               2232986
_cod_database_fobs_code          2232986
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Rh Rh1 0 0.5 0.5 0.01620(12) Uani d S 1
Rh Rh2 0 0 0 0.01681(12) Uani d S 1
P P1 0.17881(11) 0.45129(8) 0.59018(4) 0.0169(2) Uani d . 1
P P2 0.19028(11) 0.15093(8) -0.03218(4) 0.0169(2) Uani d . 1
C C1 -0.0559(14) 0.3657(10) 0.4714(6) 0.034(3) Uani d P 0.5
C C2 0.3688(4) 0.5602(3) 0.62055(16) 0.0169(8) Uani d . 1
C C3 0.4759(4) 0.6069(3) 0.57726(17) 0.0196(8) Uani d . 1
H H023 0.4495 0.579 0.5336 0.023 Uiso calc R 1
C C4 0.6194(4) 0.6927(3) 0.59619(18) 0.0210(8) Uani d . 1
H H035 0.6927 0.7215 0.5663 0.025 Uiso calc R 1
C C5 0.6553(5) 0.7363(3) 0.65925(19) 0.0228(8) Uani d . 1
C C6 0.5486(5) 0.6916(3) 0.70302(18) 0.0230(8) Uani d . 1
H H030 0.5727 0.7214 0.7462 0.028 Uiso calc R 1
C C7 0.4080(4) 0.6042(3) 0.68391(17) 0.0198(8) Uani d . 1
H H047 0.3372 0.5738 0.7143 0.024 Uiso calc R 1
C C8 0.8885(6) 0.8790(4) 0.6380(2) 0.0418(12) Uani d . 1
H H04A 0.9481 0.8272 0.6187 0.063 Uiso calc R 1
H H04B 0.9769 0.9412 0.6604 0.063 Uiso calc R 1
H H04C 0.8091 0.9069 0.604 0.063 Uiso calc R 1
C C9 0.2703(4) 0.3274(3) 0.58447(16) 0.0179(8) Uani d . 1
C C10 0.4508(4) 0.3317(3) 0.58604(16) 0.0184(8) Uani d . 1
H H048 0.5295 0.4016 0.5905 0.022 Uiso calc R 1
C C11 0.5171(5) 0.2356(3) 0.58120(17) 0.0221(8) Uani d . 1
H H036 0.64 0.2404 0.5823 0.027 Uiso calc R 1
C C12 0.4043(5) 0.1327(3) 0.57470(17) 0.0220(8) Uani d . 1
C C13 0.2238(5) 0.1265(3) 0.57155(18) 0.0233(8) Uani d . 1
H H022 0.1452 0.0565 0.5662 0.028 Uiso calc R 1
C C14 0.1590(4) 0.2230(3) 0.57627(17) 0.0222(8) Uani d . 1
H H046 0.0355 0.2178 0.5739 0.027 Uiso calc R 1
C C15 0.3688(6) -0.0645(3) 0.5660(2) 0.0342(10) Uani d . 1
H H05J 0.3069 -0.0728 0.6029 0.051 Uiso calc R 1
H H05K 0.44 -0.1216 0.5657 0.051 Uiso calc R 1
H H05L 0.2822 -0.0724 0.5259 0.051 Uiso calc R 1
C C16 0.0517(4) 0.4249(3) 0.65485(16) 0.0174(8) Uani d . 1
C C17 0.0822(4) 0.3493(3) 0.70175(17) 0.0212(8) Uani d . 1
H H034 0.1791 0.3132 0.7026 0.025 Uiso calc R 1
C C18 -0.0271(4) 0.3261(3) 0.74719(17) 0.0210(8) Uani d . 1
H H033 -0.0038 0.2751 0.7793 0.025 Uiso calc R 1
C C19 -0.1717(4) 0.3776(3) 0.74576(17) 0.0192(8) Uani d . 1
C C20 -0.1985(4) 0.4567(3) 0.70120(17) 0.0190(8) Uani d . 1
H H043 -0.2924 0.4951 0.7016 0.023 Uiso calc R 1
C C21 -0.0880(4) 0.4794(3) 0.65610(17) 0.0197(8) Uani d . 1
H H014 -0.1077 0.5333 0.6254 0.024 Uiso calc R 1
C C22 -0.4399(4) 0.3816(4) 0.78430(18) 0.0257(9) Uani d . 1
H H04D -0.4143 0.4615 0.7948 0.039 Uiso calc R 1
H H04E -0.5113 0.3433 0.8143 0.039 Uiso calc R 1
H H04F -0.5052 0.3664 0.7401 0.039 Uiso calc R 1
C C23 -0.0457(15) -0.0644(11) -0.0774(5) 0.020(2) Uani d P 0.5
C C24 0.0810(4) 0.2656(3) -0.05056(17) 0.0174(8) Uani d . 1
C C25 0.1519(4) 0.3536(3) -0.08578(17) 0.0196(8) Uani d . 1
H H037 0.2597 0.353 -0.1006 0.024 Uiso calc R 1
C C26 0.0674(4) 0.4416(3) -0.09933(17) 0.0184(8) Uani d . 1
H H019 0.1175 0.5006 -0.1232 0.022 Uiso calc R 1
C C27 -0.0899(4) 0.4437(3) -0.07806(17) 0.0170(7) Uani d . 1
C C28 -0.1621(4) 0.3576(3) -0.04193(17) 0.0195(8) Uani d . 1
H H044 -0.2683 0.3594 -0.0262 0.023 Uiso calc R 1
C C29 -0.0769(4) 0.2694(3) -0.02936(17) 0.0172(8) Uani d . 1
H H017 -0.1276 0.2102 -0.0057 0.021 Uiso calc R 1
C C30 -0.1136(5) 0.6129(3) -0.12824(19) 0.0253(9) Uani d . 1
H H05D 0.0028 0.6508 -0.1055 0.038 Uiso calc R 1
H H05E -0.1928 0.6659 -0.1347 0.038 Uiso calc R 1
H H05F -0.102 0.5823 -0.1702 0.038 Uiso calc R 1
C C31 0.2855(4) 0.1317(3) -0.10391(17) 0.0172(8) Uani d . 1
C C32 0.1737(4) 0.1092(3) -0.16402(17) 0.0196(8) Uani d . 1
H H021 0.0512 0.1087 -0.1671 0.023 Uiso calc R 1
C C33 0.2403(5) 0.0879(3) -0.21875(18) 0.0239(9) Uani d . 1
H H026 0.1636 0.0744 -0.2593 0.029 Uiso calc R 1
C C34 0.4202(5) 0.0860(3) -0.21482(18) 0.0225(8) Uani d . 1
C C35 0.5329(4) 0.1102(3) -0.15605(17) 0.0207(8) Uani d . 1
H H016 0.6556 0.1114 -0.153 0.025 Uiso calc R 1
C C36 0.4641(4) 0.1327(3) -0.10139(17) 0.0182(8) Uani d . 1
H H041 0.5418 0.1493 -0.0612 0.022 Uiso calc R 1
C C37 0.6495(6) 0.0500(4) -0.2687(2) 0.0389(11) Uani d . 1
H H05A 0.727 0.1218 -0.2545 0.058 Uiso calc R 1
H H05B 0.6674 0.0277 -0.3116 0.058 Uiso calc R 1
H H05C 0.6775 -0.0058 -0.2382 0.058 Uiso calc R 1
C C38 0.3798(4) 0.2067(3) 0.03055(17) 0.0178(8) Uani d . 1
C C39 0.4737(5) 0.1321(3) 0.06249(17) 0.0224(8) Uani d . 1
H H031 0.4463 0.0563 0.0479 0.027 Uiso calc R 1
C C40 0.6072(5) 0.1675(3) 0.11553(18) 0.0222(8) Uani d . 1
H H054 0.6728 0.1167 0.136 0.027 Uiso calc R 1
C C41 0.6431(4) 0.2766(3) 0.13794(17) 0.0187(8) Uani d . 1
C C42 0.5510(4) 0.3518(3) 0.10570(18) 0.0194(8) Uani d . 1
H H018 0.5768 0.4274 0.1207 0.023 Uiso calc R 1
C C43 0.4228(4) 0.3165(3) 0.05225(18) 0.0190(8) Uani d . 1
H H032 0.3633 0.3686 0.03 0.023 Uiso calc R 1
C C44 0.8474(5) 0.2447(4) 0.22982(19) 0.0304(10) Uani d . 1
H H05G 0.7578 0.1861 0.2427 0.046 Uiso calc R 1
H H05H 0.922 0.2847 0.2684 0.046 Uiso calc R 1
H H05I 0.9207 0.2117 0.2047 0.046 Uiso calc R 1
O O1 -0.1082(16) 0.2772(11) 0.4481(7) 0.034(3) Uani d P 0.5
O O2 0.7890(3) 0.8233(2) 0.68280(13) 0.0293(7) Uani d . 1
O O3 0.4817(3) 0.0430(2) 0.57075(13) 0.0283(6) Uani d . 1
O O4 -0.2777(3) 0.3427(2) 0.78963(12) 0.0237(6) Uani d . 1
O O5 -0.085(2) -0.1068(14) -0.1294(5) 0.037(3) Uani d P 0.5
O O6 -0.1854(3) 0.5247(2) -0.09059(12) 0.0209(6) Uani d . 1
O O7 0.4683(4) 0.0594(3) -0.27137(13) 0.0319(7) Uani d . 1
O O8 0.7629(3) 0.3197(2) 0.19171(12) 0.0231(6) Uani d . 1
Cl Cl1 -0.0738(4) 0.3106(4) 0.4565(2) 0.0283(11) Uani d P 0.5
Cl Cl2 -0.0659(5) -0.0881(4) -0.10676(18) 0.0247(9) Uani d P 0.5
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 Rh1 C1 . 2_566 180.000(4) ?
C1 Rh1 P1 . 2_566 89.5(4) ?
C1 Rh1 P1 2_566 2_566 90.5(4) ?
C1 Rh1 P1 . . 90.5(4) y
C1 Rh1 P1 2_566 . 89.5(4) ?
P1 Rh1 P1 2_566 . 180 ?
C1 Rh1 Cl1 . . 1.9(4) ?
C1 Rh1 Cl1 2_566 . 178.1(4) ?
P1 Rh1 Cl1 2_566 . 88.80(9) ?
P1 Rh1 Cl1 . . 91.20(9) y
C1 Rh1 Cl1 . 2_566 178.1(4) ?
C1 Rh1 Cl1 2_566 2_566 1.9(4) ?
P1 Rh1 Cl1 2_566 2_566 91.20(9) ?
P1 Rh1 Cl1 . 2_566 88.80(9) ?
Cl1 Rh1 Cl1 . 2_566 180.0000(10) ?
C23 Rh2 C23 . 2 180.0(9) ?
C23 Rh2 P2 . 2 88.1(4) ?
C23 Rh2 P2 2 2 91.9(4) ?
C23 Rh2 P2 . . 91.9(4) y
C23 Rh2 P2 2 . 88.1(4) ?
P2 Rh2 P2 2 . 180.00(5) ?
C23 Rh2 Cl2 . . 0.6(4) ?
C23 Rh2 Cl2 2 . 179.4(4) ?
P2 Rh2 Cl2 2 . 87.94(10) ?
P2 Rh2 Cl2 . . 92.06(10) y
C23 Rh2 Cl2 . 2 179.4(4) ?
C23 Rh2 Cl2 2 2 0.6(4) ?
P2 Rh2 Cl2 2 2 92.06(10) ?
P2 Rh2 Cl2 . 2 87.94(10) ?
Cl2 Rh2 Cl2 . 2 180.0(2) ?
C16 P1 C2 . . 106.79(17) ?
C16 P1 C9 . . 103.67(16) ?
C2 P1 C9 . . 104.54(16) ?
C16 P1 Rh1 . . 109.09(11) ?
C2 P1 Rh1 . . 112.92(11) ?
C9 P1 Rh1 . . 118.87(12) ?
C24 P2 C31 . . 103.44(16) ?
C24 P2 C38 . . 104.95(17) ?
C31 P2 C38 . . 104.75(16) ?
C24 P2 Rh2 . . 111.46(12) ?
C31 P2 Rh2 . . 118.04(12) ?
C38 P2 Rh2 . . 112.97(11) ?
Cl1 C1 Rh1 . . 173.6(14) ?
O1 C1 Rh1 . . 173.2(14) ?
C7 C2 C3 . . 118.0(3) ?
C7 C2 P1 . . 123.5(3) ?
C3 C2 P1 . . 118.3(3) ?
C4 C3 C2 . . 121.8(3) ?
C4 C3 H023 . . 119.1 ?
C2 C3 H023 . . 119.1 ?
C3 C4 C5 . . 119.4(3) ?
C3 C4 H035 . . 120.3 ?
C5 C4 H035 . . 120.3 ?
O2 C5 C4 . . 124.7(3) ?
O2 C5 C6 . . 115.7(4) ?
C4 C5 C6 . . 119.6(4) ?
C7 C6 C5 . . 120.4(4) ?
C7 C6 H030 . . 119.8 ?
C5 C6 H030 . . 119.8 ?
C6 C7 C2 . . 120.7(3) ?
C6 C7 H047 . . 119.6 ?
C2 C7 H047 . . 119.6 ?
O2 C8 H04A . . 109.5 ?
O2 C8 H04B . . 109.5 ?
H04A C8 H04B . . 109.5 ?
O2 C8 H04C . . 109.5 ?
H04A C8 H04C . . 109.5 ?
H04B C8 H04C . . 109.5 ?
C14 C9 C10 . . 117.3(3) ?
C14 C9 P1 . . 120.2(3) ?
C10 C9 P1 . . 122.5(3) ?
C11 C10 C9 . . 121.3(4) ?
C11 C10 H048 . . 119.4 ?
C9 C10 H048 . . 119.4 ?
C12 C11 C10 . . 120.2(3) ?
C12 C11 H036 . . 119.9 ?
C10 C11 H036 . . 119.9 ?
O3 C12 C11 . . 116.0(3) ?
O3 C12 C13 . . 124.4(4) ?
C11 C12 C13 . . 119.5(4) ?
C14 C13 C12 . . 119.8(4) ?
C14 C13 H022 . . 120.1 ?
C12 C13 H022 . . 120.1 ?
C13 C14 C9 . . 121.9(3) ?
C13 C14 H046 . . 119.1 ?
C9 C14 H046 . . 119.1 ?
O3 C15 H05J . . 109.5 ?
O3 C15 H05K . . 109.5 ?
H05J C15 H05K . . 109.5 ?
O3 C15 H05L . . 109.5 ?
H05J C15 H05L . . 109.5 ?
H05K C15 H05L . . 109.5 ?
C17 C16 C21 . . 118.3(3) ?
C17 C16 P1 . . 123.1(3) ?
C21 C16 P1 . . 118.5(2) ?
C18 C17 C16 . . 120.8(3) ?
C18 C17 H034 . . 119.6 ?
C16 C17 H034 . . 119.6 ?
C17 C18 C19 . . 120.0(3) ?
C17 C18 H033 . . 120 ?
C19 C18 H033 . . 120 ?
O4 C19 C20 . . 125.3(3) ?
O4 C19 C18 . . 115.1(3) ?
C20 C19 C18 . . 119.6(3) ?
C19 C20 C21 . . 119.7(3) ?
C19 C20 H043 . . 120.1 ?
C21 C20 H043 . . 120.1 ?
C20 C21 C16 . . 121.3(3) ?
C20 C21 H014 . . 119.3 ?
C16 C21 H014 . . 119.3 ?
O4 C22 H04D . . 109.5 ?
O4 C22 H04E . . 109.5 ?
H04D C22 H04E . . 109.5 ?
O4 C22 H04F . . 109.5 ?
H04D C22 H04F . . 109.5 ?
H04E C22 H04F . . 109.5 ?
Cl2 C23 Rh2 . . 177.8(15) ?
O5 C23 Rh2 . . 176.8(16) ?
C29 C24 C25 . . 117.9(3) ?
C29 C24 P2 . . 120.5(3) ?
C25 C24 P2 . . 121.6(3) ?
C26 C25 C24 . . 121.2(3) ?
C26 C25 H037 . . 119.4 ?
C24 C25 H037 . . 119.4 ?
C27 C26 C25 . . 120.1(3) ?
C27 C26 H019 . . 120 ?
C25 C26 H019 . . 120 ?
O6 C27 C26 . . 124.4(3) ?
O6 C27 C28 . . 115.7(3) ?
C26 C27 C28 . . 119.8(3) ?
C29 C28 C27 . . 119.4(3) ?
C29 C28 H044 . . 120.3 ?
C27 C28 H044 . . 120.3 ?
C28 C29 C24 . . 121.6(3) ?
C28 C29 H017 . . 119.2 ?
C24 C29 H017 . . 119.2 ?
O6 C30 H05D . . 109.5 ?
O6 C30 H05E . . 109.5 ?
H05D C30 H05E . . 109.5 ?
O6 C30 H05F . . 109.5 ?
H05D C30 H05F . . 109.5 ?
H05E C30 H05F . . 109.5 ?
C36 C31 C32 . . 118.0(3) ?
C36 C31 P2 . . 122.7(3) ?
C32 C31 P2 . . 119.2(3) ?
C33 C32 C31 . . 120.6(3) ?
C33 C32 H021 . . 119.7 ?
C31 C32 H021 . . 119.7 ?
C32 C33 C34 . . 120.5(3) ?
C32 C33 H026 . . 119.8 ?
C34 C33 H026 . . 119.8 ?
O7 C34 C35 . . 125.4(3) ?
O7 C34 C33 . . 115.0(3) ?
C35 C34 C33 . . 119.6(3) ?
C34 C35 C36 . . 119.2(3) ?
C34 C35 H016 . . 120.4 ?
C36 C35 H016 . . 120.4 ?
C31 C36 C35 . . 122.0(3) ?
C31 C36 H041 . . 119 ?
C35 C36 H041 . . 119 ?
O7 C37 H05A . . 109.5 ?
O7 C37 H05B . . 109.5 ?
H05A C37 H05B . . 109.5 ?
O7 C37 H05C . . 109.5 ?
H05A C37 H05C . . 109.5 ?
H05B C37 H05C . . 109.5 ?
C43 C38 C39 . . 118.6(3) ?
C43 C38 P2 . . 123.0(3) ?
C39 C38 P2 . . 118.1(3) ?
C40 C39 C38 . . 120.9(4) ?
C40 C39 H031 . . 119.5 ?
C38 C39 H031 . . 119.5 ?
C41 C40 C39 . . 119.5(3) ?
C41 C40 H054 . . 120.2 ?
C39 C40 H054 . . 120.2 ?
O8 C41 C40 . . 124.9(3) ?
O8 C41 C42 . . 115.3(4) ?
C40 C41 C42 . . 119.7(3) ?
C43 C42 C41 . . 120.2(4) ?
C43 C42 H018 . . 119.9 ?
C41 C42 H018 . . 119.9 ?
C42 C43 C38 . . 121.0(3) ?
C42 C43 H032 . . 119.5 ?
C38 C43 H032 . . 119.5 ?
O8 C44 H05G . . 109.5 ?
O8 C44 H05H . . 109.5 ?
H05G C44 H05H . . 109.5 ?
O8 C44 H05I . . 109.5 ?
H05G C44 H05I . . 109.5 ?
H05H C44 H05I . . 109.5 ?
C5 O2 C8 . . 117.3(3) ?
C12 O3 C15 . . 117.2(3) ?
C19 O4 C22 . . 117.1(3) ?
C27 O6 C30 . . 116.2(3) ?
C34 O7 C37 . . 116.8(3) ?
C41 O8 C44 . . 117.6(3) ?
O5 Cl2 C23 . . 177(2) ?
O5 Cl2 Rh2 . . 176(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 C1 . 1.699(12) y
Rh1 C1 2_566 1.699(13) ?
Rh1 P1 2_566 2.3257(10) ?
Rh1 P1 . 2.3257(10) y
Rh1 Cl1 . 2.416(5) y
Rh1 Cl1 2_566 2.416(5) ?
Rh2 C23 . 1.751(11) y
Rh2 C23 2 1.751(11) ?
Rh2 P2 2 2.3321(11) ?
Rh2 P2 . 2.3321(11) y
Rh2 Cl2 . 2.410(4) y
Rh2 Cl2 2 2.410(4) ?
P1 C16 . 1.815(3) ?
P1 C2 . 1.817(4) ?
P1 C9 . 1.817(4) ?
P2 C24 . 1.804(4) ?
P2 C31 . 1.824(4) ?
P2 C38 . 1.827(4) ?
C1 Cl1 . 0.720(12) ?
C1 O1 . 1.157(18) y
C2 C7 . 1.393(5) ?
C2 C3 . 1.397(5) ?
C3 C4 . 1.383(5) ?
C3 H023 . 0.95 ?
C4 C5 . 1.387(5) ?
C4 H035 . 0.95 ?
C5 O2 . 1.365(5) ?
C5 C6 . 1.396(5) ?
C6 C7 . 1.382(5) ?
C6 H030 . 0.95 ?
C7 H047 . 0.95 ?
C8 O2 . 1.424(5) ?
C8 H04A . 0.98 ?
C8 H04B . 0.98 ?
C8 H04C . 0.98 ?
C9 C14 . 1.397(5) ?
C9 C10 . 1.400(5) ?
C10 C11 . 1.391(5) ?
C10 H048 . 0.95 ?
C11 C12 . 1.386(5) ?
C11 H036 . 0.95 ?
C12 O3 . 1.367(5) ?
C12 C13 . 1.392(5) ?
C13 C14 . 1.388(6) ?
C13 H022 . 0.95 ?
C14 H046 . 0.95 ?
C15 O3 . 1.433(5) ?
C15 H05J . 0.98 ?
C15 H05K . 0.98 ?
C15 H05L . 0.98 ?
C16 C17 . 1.393(5) ?
C16 C21 . 1.394(5) ?
C17 C18 . 1.385(5) ?
C17 H034 . 0.95 ?
C18 C19 . 1.399(5) ?
C18 H033 . 0.95 ?
C19 O4 . 1.363(4) ?
C19 C20 . 1.385(5) ?
C20 C21 . 1.385(5) ?
C20 H043 . 0.95 ?
C21 H014 . 0.95 ?
C22 O4 . 1.431(4) ?
C22 H04D . 0.98 ?
C22 H04E . 0.98 ?
C22 H04F . 0.98 ?
C23 Cl2 . 0.660(9) ?
C23 O5 . 1.171(13) y
C24 C29 . 1.392(5) ?
C24 C25 . 1.402(5) ?
C25 C26 . 1.386(5) ?
C25 H037 . 0.95 ?
C26 C27 . 1.384(5) ?
C26 H019 . 0.95 ?
C27 O6 . 1.363(4) ?
C27 C28 . 1.401(5) ?
C28 C29 . 1.388(5) ?
C28 H044 . 0.95 ?
C29 H017 . 0.95 ?
C30 O6 . 1.438(4) ?
C30 H05D . 0.98 ?
C30 H05E . 0.98 ?
C30 H05F . 0.98 ?
C31 C36 . 1.389(5) ?
C31 C32 . 1.404(5) ?
C32 C33 . 1.383(5) ?
C32 H021 . 0.95 ?
C33 C34 . 1.403(5) ?
C33 H026 . 0.95 ?
C34 O7 . 1.361(5) ?
C34 C35 . 1.386(5) ?
C35 C36 . 1.395(5) ?
C35 H016 . 0.95 ?
C36 H041 . 0.95 ?
C37 O7 . 1.438(5) ?
C37 H05A . 0.98 ?
C37 H05B . 0.98 ?
C37 H05C . 0.98 ?
C38 C43 . 1.379(5) ?
C38 C39 . 1.399(5) ?
C39 C40 . 1.396(5) ?
C39 H031 . 0.95 ?
C40 C41 . 1.376(6) ?
C40 H054 . 0.95 ?
C41 O8 . 1.370(4) ?
C41 C42 . 1.399(5) ?
C42 C43 . 1.378(5) ?
C42 H018 . 0.95 ?
C43 H032 . 0.95 ?
C44 O8 . 1.422(4) ?
C44 H05G . 0.98 ?
C44 H05H . 0.98 ?
C44 H05I . 0.98 ?
O5 Cl2 . 0.511(10) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C14 H046 Cl1 . 0.95 2.81 3.191(5) 104.7
C32 H021 Cl2 . 0.95 2.82 3.157(5) 101.9
C8 H04A Cl1 2_666 0.98 2.73 3.693(7) 169.0
C8 H04A O1 2_666 0.98 2.52 3.486(18) 168.3
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_site_symmetry_1
_geom_torsion
C1 Rh1 P1 C16 . -93.0(4)
C1 Rh1 P1 C16 2_566 87.0(4)
Cl1 Rh1 P1 C16 . -94.75(17)
Cl1 Rh1 P1 C16 2_566 85.25(17)
C1 Rh1 P1 C2 . 148.5(4)
C1 Rh1 P1 C2 2_566 -31.5(4)
Cl1 Rh1 P1 C2 . 146.68(16)
Cl1 Rh1 P1 C2 2_566 -33.32(16)
C1 Rh1 P1 C9 . 25.5(4)
C1 Rh1 P1 C9 2_566 -154.5(4)
Cl1 Rh1 P1 C9 . 23.70(16)
Cl1 Rh1 P1 C9 2_566 -156.30(16)
C23 Rh2 P2 C24 . 97.8(4)
C23 Rh2 P2 C24 2 -82.2(4)
Cl2 Rh2 P2 C24 . 97.21(17)
Cl2 Rh2 P2 C24 2 -82.79(17)
C23 Rh2 P2 C31 . -21.7(4)
C23 Rh2 P2 C31 2 158.3(4)
Cl2 Rh2 P2 C31 . -22.28(16)
Cl2 Rh2 P2 C31 2 157.72(16)
C23 Rh2 P2 C38 . -144.3(4)
C23 Rh2 P2 C38 2 35.7(4)
Cl2 Rh2 P2 C38 . -144.90(17)
Cl2 Rh2 P2 C38 2 35.10(17)
C16 P1 C2 C7 . 4.8(3)
C9 P1 C2 C7 . -104.6(3)
Rh1 P1 C2 C7 . 124.7(3)
C16 P1 C2 C3 . -171.4(3)
C9 P1 C2 C3 . 79.1(3)
Rh1 P1 C2 C3 . -51.5(3)
C7 C2 C3 C4 . 1.4(5)
P1 C2 C3 C4 . 177.8(3)
C2 C3 C4 C5 . -2.1(6)
C3 C4 C5 O2 . -177.6(3)
C3 C4 C5 C6 . 1.4(6)
O2 C5 C6 C7 . 179.2(3)
C4 C5 C6 C7 . 0.1(6)
C5 C6 C7 C2 . -0.9(5)
C3 C2 C7 C6 . 0.1(5)
P1 C2 C7 C6 . -176.1(3)
C16 P1 C9 C14 . 54.2(3)
C2 P1 C9 C14 . 165.9(3)
Rh1 P1 C9 C14 . -67.0(3)
C16 P1 C9 C10 . -127.8(3)
C2 P1 C9 C10 . -16.0(3)
Rh1 P1 C9 C10 . 111.0(3)
C14 C9 C10 C11 . -1.5(5)
P1 C9 C10 C11 . -179.6(3)
C9 C10 C11 C12 . 0.0(5)
C10 C11 C12 O3 . -179.6(3)
C10 C11 C12 C13 . 1.5(5)
O3 C12 C13 C14 . 179.8(3)
C11 C12 C13 C14 . -1.3(5)
C12 C13 C14 C9 . -0.3(6)
C10 C9 C14 C13 . 1.7(5)
P1 C9 C14 C13 . 179.8(3)
C2 P1 C16 C17 . -88.3(4)
C9 P1 C16 C17 . 21.8(4)
Rh1 P1 C16 C17 . 149.4(3)
C2 P1 C16 C21 . 94.6(3)
C9 P1 C16 C21 . -155.4(3)
Rh1 P1 C16 C21 . -27.8(3)
C21 C16 C17 C18 . 2.1(6)
P1 C16 C17 C18 . -175.1(3)
C16 C17 C18 C19 . 1.0(6)
C17 C18 C19 O4 . 175.4(4)
C17 C18 C19 C20 . -3.9(6)
O4 C19 C20 C21 . -175.5(4)
C18 C19 C20 C21 . 3.7(6)
C19 C20 C21 C16 . -0.6(6)
C17 C16 C21 C20 . -2.3(6)
P1 C16 C21 C20 . 175.0(3)
C31 P2 C24 C29 . 144.7(3)
C38 P2 C24 C29 . -105.8(3)
Rh2 P2 C24 C29 . 16.9(3)
C31 P2 C24 C25 . -35.9(3)
C38 P2 C24 C25 . 73.6(3)
Rh2 P2 C24 C25 . -163.7(3)
C29 C24 C25 C26 . -0.2(5)
P2 C24 C25 C26 . -179.6(3)
C24 C25 C26 C27 . -0.1(6)
C25 C26 C27 O6 . -177.9(3)
C25 C26 C27 C28 . 1.0(6)
O6 C27 C28 C29 . 177.3(3)
C26 C27 C28 C29 . -1.7(6)
C27 C28 C29 C24 . 1.5(6)
C25 C24 C29 C28 . -0.5(5)
P2 C24 C29 C28 . 178.9(3)
C24 P2 C31 C36 . 124.8(3)
C38 P2 C31 C36 . 15.1(3)
Rh2 P2 C31 C36 . -111.6(3)
C24 P2 C31 C32 . -58.5(3)
C38 P2 C31 C32 . -168.2(3)
Rh2 P2 C31 C32 . 65.1(3)
C36 C31 C32 C33 . 0.5(5)
P2 C31 C32 C33 . -176.2(3)
C31 C32 C33 C34 . 1.4(6)
C32 C33 C34 O7 . 177.3(3)
C32 C33 C34 C35 . -2.6(6)
O7 C34 C35 C36 . -178.0(3)
C33 C34 C35 C36 . 1.9(6)
C32 C31 C36 C35 . -1.2(5)
P2 C31 C36 C35 . 175.4(3)
C34 C35 C36 C31 . 0.0(6)
C24 P2 C38 C43 . -3.7(3)
C31 P2 C38 C43 . 104.9(3)
Rh2 P2 C38 C43 . -125.3(3)
C24 P2 C38 C39 . 169.4(3)
C31 P2 C38 C39 . -82.0(3)
Rh2 P2 C38 C39 . 47.8(3)
C43 C38 C39 C40 . 0.5(5)
P2 C38 C39 C40 . -172.9(3)
C38 C39 C40 C41 . 2.1(5)
C39 C40 C41 O8 . 175.8(3)
C39 C40 C41 C42 . -2.8(5)
O8 C41 C42 C43 . -177.8(3)
C40 C41 C42 C43 . 1.0(5)
C41 C42 C43 C38 . 1.7(5)
C39 C38 C43 C42 . -2.4(5)
P2 C38 C43 C42 . 170.6(3)
C4 C5 O2 C8 . 5.7(6)
C6 C5 O2 C8 . -173.3(4)
C11 C12 O3 C15 . 178.2(3)
C13 C12 O3 C15 . -2.9(5)
C20 C19 O4 C22 . 7.5(6)
C18 C19 O4 C22 . -171.7(3)
C26 C27 O6 C30 . -0.4(5)
C28 C27 O6 C30 . -179.3(3)
C35 C34 O7 C37 . 3.5(6)
C33 C34 O7 C37 . -176.4(3)
C40 C41 O8 C44 . -4.7(5)
C42 C41 O8 C44 . 173.9(3)
O1 C1 Cl1 Rh1 . 132(13)
P1 Rh1 Cl1 C1 2_566 -110(11)
P1 Rh1 Cl1 C1 . 70(11)
