#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/93/7109352.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_7109352
loop_
_publ_author_name
'Takayuki Nakajima'
'Miyuki Sakamoto'
'Sachi Kurai'
'Bunsho Kure'
'Tomoaki Tanase'
_publ_section_title
;
 Reversible dioxygen binding on asymmetric dinuclear rhodium centres
;
_journal_name_full               Chem.Commun.
_journal_page_first              5250
_journal_paper_doi               10.1039/c3cc41815d
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C47 H51 Cl4 N O2 P4 Rh2 '
_chemical_formula_sum            'C47 H51 Cl4 N O2 P4 Rh2'
_chemical_formula_weight         1133.44
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   29.706(15)
_cell_length_b                   14.423(7)
_cell_length_c                   11.405(6)
_cell_measurement_reflns_used    13325
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      2.3
_cell_volume                     4886(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            42551
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.061
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2296.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.07
_refine_diff_density_min         -1.34
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 5078 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.08(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     542
_refine_ls_number_reflns         10915
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1075P)²+1.6205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1825
_reflns_number_gt                9275
_reflns_number_total             10915
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c3cc41815d.txt
_cod_data_source_block           '_[Rh2Cl2(O2)(tBuNC)(dpmppp)](2d)'
_cod_original_cell_volume        4887(4)
_cod_original_formula_sum        'C47 H51 Cl4 N O2 P4 Rh2 '
_cod_database_code               7109352
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2+Z
3 1/2+X,1/2-Y,+Z
4 -X,-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
Rh(1) Rh 0.783266(15) 0.00937(3) 0.27577(6) 0.03253(14) Uani 1.00 1 d .
Rh(2) Rh 0.861371(17) 0.08742(4) 0.36291(5) 0.03499(14) Uani 1.00 1 d .
Cl(1) Cl 0.80985(7) -0.11592(13) 0.15161(17) 0.0436(4) Uani 1.00 1 d .
Cl(2) Cl 0.76728(8) -0.10281(14) 0.42700(18) 0.0495(4) Uani 1.00 1 d .
Cl(3) Cl 0.98582(11) 0.3544(2) 0.5584(4) 0.1068(12) Uani 1.00 1 d .
Cl(4) Cl 0.93235(16) 0.4974(2) 0.4474(4) 0.1073(12) Uani 1.00 1 d .
P(1) P 0.89223(7) 0.10331(14) 0.17299(18) 0.0389(4) Uani 1.00 1 d .
P(2) P 0.79239(6) 0.10851(13) 0.12810(16) 0.0349(3) Uani 1.00 1 d .
P(3) P 0.75035(6) 0.11331(13) 0.38962(16) 0.0353(3) Uani 1.00 1 d .
P(4) P 0.82923(6) 0.09310(13) 0.55249(17) 0.0345(3) Uani 1.00 1 d .
O(1) O 0.86514(17) 0.2281(3) 0.3767(5) 0.0455(12) Uani 1.00 1 d .
O(2) O 0.90574(18) 0.1838(3) 0.4194(5) 0.0471(12) Uani 1.00 1 d .
N(1) N 0.8914(2) -0.1200(4) 0.3828(6) 0.0477(16) Uani 1.00 1 d .
C(1) C 0.8766(2) -0.0438(5) 0.3734(7) 0.0464(17) Uani 1.00 1 d .
C(2) C 0.8483(2) 0.0944(5) 0.0590(7) 0.0445(17) Uani 1.00 1 d .
C(3) C 0.7904(2) 0.2342(5) 0.1563(7) 0.0405(15) Uani 1.00 1 d .
C(4) C 0.7512(2) 0.2671(5) 0.2363(6) 0.0410(15) Uani 1.00 1 d .
C(5) C 0.7581(2) 0.2385(4) 0.3661(7) 0.0406(14) Uani 1.00 1 d .
C(6) C 0.7668(2) 0.0974(5) 0.5445(6) 0.0400(16) Uani 1.00 1 d .
C(7) C 0.9052(2) -0.2164(5) 0.3966(8) 0.0516(19) Uani 1.00 1 d .
C(8) C 0.9036(3) -0.2606(6) 0.2759(9) 0.067(2) Uani 1.00 1 d .
C(9) C 0.9537(4) -0.2137(7) 0.4437(11) 0.082(3) Uani 1.00 1 d .
C(10) C 0.8725(3) -0.2600(6) 0.4825(9) 0.064(2) Uani 1.00 1 d .
C(11) C 0.9356(2) 0.0202(5) 0.1251(8) 0.0463(18) Uani 1.00 1 d .
C(12) C 0.9657(3) -0.0128(7) 0.2120(10) 0.064(2) Uani 1.00 1 d .
C(13) C 1.0022(3) -0.0684(8) 0.1785(10) 0.076(3) Uani 1.00 1 d .
C(14) C 1.0066(3) -0.0932(8) 0.0606(11) 0.073(3) Uani 1.00 1 d .
C(15) C 0.9753(3) -0.0683(9) -0.0191(11) 0.081(3) Uani 1.00 1 d .
C(16) C 0.9414(3) -0.0023(6) 0.0098(10) 0.063(2) Uani 1.00 1 d .
C(17) C 0.9209(2) 0.2141(6) 0.1520(7) 0.0481(18) Uani 1.00 1 d .
C(18) C 0.9631(3) 0.2256(7) 0.2099(8) 0.061(2) Uani 1.00 1 d .
C(19) C 0.9860(3) 0.3106(8) 0.2001(8) 0.065(2) Uani 1.00 1 d .
C(20) C 0.9694(4) 0.3854(8) 0.1364(10) 0.086(4) Uani 1.00 1 d .
C(21) C 0.9278(5) 0.3710(7) 0.0825(10) 0.080(3) Uani 1.00 1 d .
C(22) C 0.9031(3) 0.2865(7) 0.0900(9) 0.060(2) Uani 1.00 1 d .
C(23) C 0.7531(2) 0.0893(4) 0.0066(7) 0.0380(15) Uani 1.00 1 d .
C(24) C 0.7466(2) 0.1559(5) -0.0838(6) 0.0417(15) Uani 1.00 1 d .
C(25) C 0.7158(2) 0.1403(6) -0.1736(7) 0.051(2) Uani 1.00 1 d .
C(26) C 0.6916(2) 0.0592(7) -0.1771(7) 0.053(2) Uani 1.00 1 d .
C(27) C 0.6973(2) -0.0085(5) -0.0918(7) 0.0453(18) Uani 1.00 1 d .
C(28) C 0.7280(2) 0.0076(5) -0.0003(6) 0.0396(16) Uani 1.00 1 d .
C(29) C 0.6878(2) 0.1061(4) 0.3890(6) 0.0378(15) Uani 1.00 1 d .
C(30) C 0.6653(2) 0.0901(5) 0.2849(8) 0.0468(18) Uani 1.00 1 d .
C(31) C 0.6186(2) 0.0895(5) 0.2767(9) 0.051(2) Uani 1.00 1 d .
C(32) C 0.5936(2) 0.1017(6) 0.3775(9) 0.057(2) Uani 1.00 1 d .
C(33) C 0.6154(2) 0.1194(7) 0.4853(8) 0.059(2) Uani 1.00 1 d .
C(34) C 0.6622(2) 0.1229(6) 0.4896(7) 0.0494(19) Uani 1.00 1 d .
C(35) C 0.8447(2) 0.1956(5) 0.6403(7) 0.0438(16) Uani 1.00 1 d .
C(36) C 0.8160(3) 0.2726(6) 0.6531(8) 0.0516(19) Uani 1.00 1 d .
C(37) C 0.8296(3) 0.3461(6) 0.7306(9) 0.058(2) Uani 1.00 1 d .
C(38) C 0.8697(3) 0.3436(6) 0.7872(9) 0.058(2) Uani 1.00 1 d .
C(39) C 0.8980(3) 0.2679(7) 0.7699(9) 0.067(2) Uani 1.00 1 d .
C(40) C 0.8864(2) 0.1956(5) 0.6946(8) 0.0491(18) Uani 1.00 1 d .
C(41) C 0.8434(2) 0.0020(5) 0.6587(7) 0.0399(16) Uani 1.00 1 d .
C(42) C 0.8151(2) -0.0202(5) 0.7539(7) 0.0420(17) Uani 1.00 1 d .
C(43) C 0.8286(2) -0.0842(5) 0.8377(6) 0.0445(18) Uani 1.00 1 d .
C(44) C 0.8691(3) -0.1262(6) 0.8294(8) 0.061(2) Uani 1.00 1 d .
C(45) C 0.8982(3) -0.1056(6) 0.7384(8) 0.061(2) Uani 1.00 1 d .
C(46) C 0.8868(2) -0.0388(6) 0.6541(7) 0.0464(17) Uani 1.00 1 d .
C(47) C 0.9343(4) 0.3845(8) 0.4847(13) 0.085(3) Uani 1.00 1 d .
H(1) H 0.8502 0.0332 0.0200 0.053 Uiso 1.00 1 c R
H(2) H 0.8529 0.1431 -0.0010 0.053 Uiso 1.00 1 c R
H(3) H 0.8192 0.2530 0.1930 0.049 Uiso 1.00 1 c R
H(4) H 0.7881 0.2668 0.0802 0.049 Uiso 1.00 1 c R
H(5) H 0.7226 0.2402 0.2074 0.049 Uiso 1.00 1 c R
H(6) H 0.7487 0.3354 0.2314 0.049 Uiso 1.00 1 c R
H(7) H 0.7365 0.2730 0.4158 0.049 Uiso 1.00 1 c R
H(8) H 0.7889 0.2562 0.3909 0.049 Uiso 1.00 1 c R
H(9) H 0.7538 0.0391 0.5754 0.048 Uiso 1.00 1 c R
H(10) H 0.7553 0.1496 0.5924 0.048 Uiso 1.00 1 c R
H(11) H 0.8737 -0.2874 0.2627 0.081 Uiso 1.00 1 c R
H(12) H 0.9264 -0.3095 0.2709 0.081 Uiso 1.00 1 c R
H(13) H 0.9096 -0.2134 0.2161 0.081 Uiso 1.00 1 c R
H(14) H 0.9748 -0.2129 0.3779 0.099 Uiso 1.00 1 c R
H(15) H 0.9592 -0.2687 0.4921 0.099 Uiso 1.00 1 c R
H(16) H 0.9579 -0.1578 0.4913 0.099 Uiso 1.00 1 c R
H(17) H 0.8839 -0.2521 0.5625 0.077 Uiso 1.00 1 c R
H(18) H 0.8695 -0.3263 0.4652 0.077 Uiso 1.00 1 c R
H(19) H 0.8431 -0.2299 0.4753 0.077 Uiso 1.00 1 c R
H(20) H 0.9611 0.0026 0.2922 0.077 Uiso 1.00 1 c R
H(21) H 1.0236 -0.0888 0.2349 0.091 Uiso 1.00 1 c R
H(22) H 1.0321 -0.1281 0.0362 0.088 Uiso 1.00 1 c R
H(23) H 0.9759 -0.0950 -0.0952 0.097 Uiso 1.00 1 c R
H(24) H 0.9233 0.0252 -0.0494 0.075 Uiso 1.00 1 c R
H(25) H 0.9757 0.1763 0.2546 0.073 Uiso 1.00 1 c R
H(26) H 1.0141 0.3173 0.2390 0.078 Uiso 1.00 1 c R
H(27) H 0.9853 0.4423 0.1301 0.103 Uiso 1.00 1 c R
H(28) H 0.9153 0.4204 0.0382 0.096 Uiso 1.00 1 c R
H(29) H 0.8747 0.2806 0.0525 0.072 Uiso 1.00 1 c R
H(30) H 0.7635 0.2118 -0.0828 0.050 Uiso 1.00 1 c R
H(31) H 0.7115 0.1859 -0.2326 0.061 Uiso 1.00 1 c R
H(32) H 0.6706 0.0493 -0.2388 0.064 Uiso 1.00 1 c R
H(33) H 0.6808 -0.0648 -0.0953 0.054 Uiso 1.00 1 c R
H(34) H 0.7317 -0.0384 0.0586 0.048 Uiso 1.00 1 c R
H(35) H 0.6824 0.0790 0.2160 0.056 Uiso 1.00 1 c R
H(36) H 0.6042 0.0809 0.2032 0.062 Uiso 1.00 1 c R
H(37) H 0.5617 0.0982 0.3745 0.069 Uiso 1.00 1 c R
H(38) H 0.5982 0.1290 0.5545 0.071 Uiso 1.00 1 c R
H(39) H 0.6768 0.1367 0.5616 0.059 Uiso 1.00 1 c R
H(40) H 0.7883 0.2758 0.6116 0.062 Uiso 1.00 1 c R
H(41) H 0.8101 0.3975 0.7422 0.070 Uiso 1.00 1 c R
H(42) H 0.8783 0.3927 0.8380 0.069 Uiso 1.00 1 c R
H(43) H 0.9259 0.2654 0.8105 0.080 Uiso 1.00 1 c R
H(44) H 0.9070 0.1465 0.6806 0.059 Uiso 1.00 1 c R
H(45) H 0.7865 0.0089 0.7606 0.050 Uiso 1.00 1 c R
H(46) H 0.8093 -0.0985 0.9015 0.053 Uiso 1.00 1 c R
H(47) H 0.8778 -0.1705 0.8869 0.074 Uiso 1.00 1 c R
H(48) H 0.9262 -0.1371 0.7328 0.073 Uiso 1.00 1 c R
H(49) H 0.9077 -0.0212 0.5952 0.056 Uiso 1.00 1 c R
H(50) H 0.9313 0.3463 0.4130 0.102 Uiso 1.00 1 c R
H(51) H 0.9085 0.3701 0.5366 0.102 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.118 0.919
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, 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_publ_flag
Rh(2) Rh(1) Cl(1) 103.88(5) yes
Rh(2) Rh(1) Cl(2) 100.45(5) yes
Rh(2) Rh(1) P(2) 84.73(4) yes
Rh(2) Rh(1) P(3) 83.33(5) yes
Cl(1) Rh(1) Cl(2) 88.96(6) yes
Cl(1) Rh(1) P(2) 89.84(6) yes
Cl(1) Rh(1) P(3) 172.29(7) yes
Cl(2) Rh(1) P(2) 174.82(7) yes
Cl(2) Rh(1) P(3) 87.01(7) yes
P(2) Rh(1) P(3) 93.59(6) yes
Rh(1) Rh(2) P(1) 92.04(5) yes
Rh(1) Rh(2) P(4) 90.23(4) yes
Rh(1) Rh(2) O(1) 118.64(14) yes
Rh(1) Rh(2) O(2) 160.44(15) yes
Rh(1) Rh(2) C(1) 79.7(2) yes
P(1) Rh(2) P(4) 172.40(7) yes
P(1) Rh(2) O(1) 87.30(17) yes
P(1) Rh(2) O(2) 88.41(17) yes
P(1) Rh(2) C(1) 93.5(2) yes
P(4) Rh(2) O(1) 85.25(17) yes
P(4) Rh(2) O(2) 87.03(17) yes
P(4) Rh(2) C(1) 94.1(2) yes
O(1) Rh(2) O(2) 41.8(2) yes
O(1) Rh(2) C(1) 161.6(2) yes
O(2) Rh(2) C(1) 119.8(2) yes
Rh(2) P(1) C(2) 111.4(2) yes
Rh(2) P(1) C(11) 118.7(2) yes
Rh(2) P(1) C(17) 112.7(2) yes
C(2) P(1) C(11) 103.9(3) yes
C(2) P(1) C(17) 107.4(3) yes
C(11) P(1) C(17) 101.8(3) yes
Rh(1) P(2) C(2) 111.1(2) yes
Rh(1) P(2) C(3) 119.7(2) yes
Rh(1) P(2) C(23) 113.4(2) yes
C(2) P(2) C(3) 102.2(3) yes
C(2) P(2) C(23) 103.5(3) yes
C(3) P(2) C(23) 105.1(3) yes
Rh(1) P(3) C(5) 121.6(2) yes
Rh(1) P(3) C(6) 111.1(2) yes
Rh(1) P(3) C(29) 113.7(2) yes
C(5) P(3) C(6) 103.1(3) yes
C(5) P(3) C(29) 100.4(3) yes
C(6) P(3) C(29) 105.1(3) yes
Rh(2) P(4) C(6) 111.1(2) yes
Rh(2) P(4) C(35) 115.1(2) yes
Rh(2) P(4) C(41) 119.1(2) yes
C(6) P(4) C(35) 104.3(3) yes
C(6) P(4) C(41) 106.6(3) yes
C(35) P(4) C(41) 99.1(3) yes
Rh(2) O(1) O(2) 68.4(3) yes
Rh(2) O(2) O(1) 69.7(3) yes
C(1) N(1) C(7) 174.4(7) yes
Rh(2) C(1) N(1) 171.4(6) yes
P(1) C(2) P(2) 109.1(4) yes
P(2) C(3) C(4) 115.3(5) yes
C(3) C(4) C(5) 112.3(6) yes
P(3) C(5) C(4) 112.5(5) yes
P(3) C(6) P(4) 108.4(3) yes
N(1) C(7) C(8) 107.1(7) yes
N(1) C(7) C(9) 106.0(7) yes
N(1) C(7) C(10) 106.7(7) yes
C(8) C(7) C(9) 110.9(8) yes
C(8) C(7) C(10) 113.1(7) yes
C(9) C(7) C(10) 112.6(8) yes
P(1) C(11) C(12) 116.9(7) yes
P(1) C(11) C(16) 121.9(6) yes
C(12) C(11) C(16) 120.9(8) yes
C(11) C(12) C(13) 119.3(10) yes
C(12) C(13) C(14) 118.7(10) yes
C(13) C(14) C(15) 121.0(10) yes
C(14) C(15) C(16) 120.6(11) yes
C(11) C(16) C(15) 118.1(9) yes
P(1) C(17) C(18) 116.8(6) yes
P(1) C(17) C(22) 123.7(6) yes
C(18) C(17) C(22) 119.4(8) yes
C(17) C(18) C(19) 119.2(9) yes
C(18) C(19) C(20) 123.2(9) yes
C(19) C(20) C(21) 115.3(11) yes
C(20) C(21) C(22) 123.9(10) yes
C(17) C(22) C(21) 119.0(9) yes
P(2) C(23) C(24) 122.2(5) yes
P(2) C(23) C(28) 120.7(5) yes
C(24) C(23) C(28) 117.0(7) yes
C(23) C(24) C(25) 121.0(7) yes
C(24) C(25) C(26) 120.2(8) yes
C(25) C(26) C(27) 120.9(7) yes
C(26) C(27) C(28) 119.0(7) yes
C(23) C(28) C(27) 121.9(7) yes
P(3) C(29) C(30) 119.8(5) yes
P(3) C(29) C(34) 122.1(5) yes
C(30) C(29) C(34) 118.0(7) yes
C(29) C(30) C(31) 122.9(8) yes
C(30) C(31) C(32) 118.8(8) yes
C(31) C(32) C(33) 120.0(7) yes
C(32) C(33) C(34) 119.7(8) yes
C(29) C(34) C(33) 120.6(7) yes
P(4) C(35) C(36) 122.6(6) yes
P(4) C(35) C(40) 117.7(6) yes
C(36) C(35) C(40) 119.7(7) yes
C(35) C(36) C(37) 118.4(8) yes
C(36) C(37) C(38) 121.3(8) yes
C(37) C(38) C(39) 119.0(9) yes
C(38) C(39) C(40) 121.7(9) yes
C(35) C(40) C(39) 119.7(7) yes
P(4) C(41) C(42) 122.2(5) yes
P(4) C(41) C(46) 118.8(5) yes
C(42) C(41) C(46) 118.4(7) yes
C(41) C(42) C(43) 120.6(7) yes
C(42) C(43) C(44) 120.5(7) yes
C(43) C(44) C(45) 120.9(8) yes
C(44) C(45) C(46) 120.7(9) yes
C(41) C(46) C(45) 118.7(7) yes
Cl(3) C(47) Cl(4) 112.4(7) yes
P(1) C(2) H(1) 109.9 no
P(1) C(2) H(2) 109.9 no
P(2) C(2) H(1) 109.9 no
P(2) C(2) H(2) 109.9 no
H(1) C(2) H(2) 108.3 no
P(2) C(3) H(3) 108.4 no
P(2) C(3) H(4) 108.4 no
C(4) C(3) H(3) 108.4 no
C(4) C(3) H(4) 108.4 no
H(3) C(3) H(4) 107.5 no
C(3) C(4) H(5) 109.1 no
C(3) C(4) H(6) 109.1 no
C(5) C(4) H(5) 109.2 no
C(5) C(4) H(6) 109.1 no
H(5) C(4) H(6) 107.9 no
P(3) C(5) H(7) 109.1 no
P(3) C(5) H(8) 109.1 no
C(4) C(5) H(7) 109.1 no
C(4) C(5) H(8) 109.1 no
H(7) C(5) H(8) 107.9 no
P(3) C(6) H(9) 110.0 no
P(3) C(6) H(10) 110.0 no
P(4) C(6) H(9) 110.0 no
P(4) C(6) H(10) 110.0 no
H(9) C(6) H(10) 108.4 no
C(7) C(8) H(11) 109.5 no
C(7) C(8) H(12) 109.5 no
C(7) C(8) H(13) 109.5 no
H(11) C(8) H(12) 109.5 no
H(11) C(8) H(13) 109.5 no
H(12) C(8) H(13) 109.5 no
C(7) C(9) H(14) 109.5 no
C(7) C(9) H(15) 109.5 no
C(7) C(9) H(16) 109.5 no
H(14) C(9) H(15) 109.5 no
H(14) C(9) H(16) 109.5 no
H(15) C(9) H(16) 109.5 no
C(7) C(10) H(17) 109.5 no
C(7) C(10) H(18) 109.5 no
C(7) C(10) H(19) 109.5 no
H(17) C(10) H(18) 109.5 no
H(17) C(10) H(19) 109.5 no
H(18) C(10) H(19) 109.5 no
C(11) C(12) H(20) 120.3 no
C(13) C(12) H(20) 120.3 no
C(12) C(13) H(21) 120.7 no
C(14) C(13) H(21) 120.6 no
C(13) C(14) H(22) 119.5 no
C(15) C(14) H(22) 119.5 no
C(14) C(15) H(23) 119.7 no
C(16) C(15) H(23) 119.7 no
C(11) C(16) H(24) 120.9 no
C(15) C(16) H(24) 120.9 no
C(17) C(18) H(25) 120.4 no
C(19) C(18) H(25) 120.4 no
C(18) C(19) H(26) 118.4 no
C(20) C(19) H(26) 118.4 no
C(19) C(20) H(27) 122.3 no
C(21) C(20) H(27) 122.3 no
C(20) C(21) H(28) 118.1 no
C(22) C(21) H(28) 118.1 no
C(17) C(22) H(29) 120.5 no
C(21) C(22) H(29) 120.5 no
C(23) C(24) H(30) 119.5 no
C(25) C(24) H(30) 119.5 no
C(24) C(25) H(31) 119.9 no
C(26) C(25) H(31) 119.9 no
C(25) C(26) H(32) 119.6 no
C(27) C(26) H(32) 119.6 no
C(26) C(27) H(33) 120.5 no
C(28) C(27) H(33) 120.5 no
C(23) C(28) H(34) 119.0 no
C(27) C(28) H(34) 119.1 no
C(29) C(30) H(35) 118.6 no
C(31) C(30) H(35) 118.6 no
C(30) C(31) H(36) 120.6 no
C(32) C(31) H(36) 120.6 no
C(31) C(32) H(37) 120.0 no
C(33) C(32) H(37) 120.0 no
C(32) C(33) H(38) 120.1 no
C(34) C(33) H(38) 120.1 no
C(29) C(34) H(39) 119.7 no
C(33) C(34) H(39) 119.7 no
C(35) C(36) H(40) 120.8 no
C(37) C(36) H(40) 120.8 no
C(36) C(37) H(41) 119.3 no
C(38) C(37) H(41) 119.3 no
C(37) C(38) H(42) 120.5 no
C(39) C(38) H(42) 120.5 no
C(38) C(39) H(43) 119.2 no
C(40) C(39) H(43) 119.2 no
C(35) C(40) H(44) 120.1 no
C(39) C(40) H(44) 120.1 no
C(41) C(42) H(45) 119.7 no
C(43) C(42) H(45) 119.7 no
C(42) C(43) H(46) 119.7 no
C(44) C(43) H(46) 119.7 no
C(43) C(44) H(47) 119.6 no
C(45) C(44) H(47) 119.6 no
C(44) C(45) H(48) 119.7 no
C(46) C(45) H(48) 119.7 no
C(41) C(46) H(49) 120.6 no
C(45) C(46) H(49) 120.6 no
Cl(3) C(47) H(50) 109.1 no
Cl(3) C(47) H(51) 109.1 no
Cl(4) C(47) H(50) 109.1 no
Cl(4) C(47) H(51) 109.1 no
H(50) C(47) H(51) 107.9 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh(1) Rh(2) 2.7637(7) yes
Rh(1) Cl(1) 2.4278(19) yes
Rh(1) Cl(2) 2.412(2) yes
Rh(1) P(2) 2.2259(19) yes
Rh(1) P(3) 2.2112(19) yes
Rh(2) P(1) 2.363(2) yes
Rh(2) P(4) 2.3650(19) yes
Rh(2) O(1) 2.039(5) yes
Rh(2) O(2) 2.021(5) yes
Rh(2) C(1) 1.950(8) yes
Cl(3) C(47) 1.799(14) yes
Cl(4) C(47) 1.683(12) yes
P(1) C(2) 1.846(8) yes
P(1) C(11) 1.841(8) yes
P(1) C(17) 1.827(8) yes
P(2) C(2) 1.850(8) yes
P(2) C(3) 1.841(7) yes
P(2) C(23) 1.831(8) yes
P(3) C(5) 1.840(7) yes
P(3) C(6) 1.847(8) yes
P(3) C(29) 1.860(8) yes
P(4) C(6) 1.858(7) yes
P(4) C(35) 1.844(8) yes
P(4) C(41) 1.836(7) yes
O(1) O(2) 1.449(7) yes
N(1) C(1) 1.189(10) yes
N(1) C(7) 1.457(10) yes
C(3) C(4) 1.554(10) yes
C(4) C(5) 1.551(11) yes
C(7) C(8) 1.518(14) yes
C(7) C(9) 1.539(15) yes
C(7) C(10) 1.515(13) yes
C(11) C(12) 1.417(13) yes
C(11) C(16) 1.365(14) yes
C(12) C(13) 1.403(15) yes
C(13) C(14) 1.398(17) yes
C(14) C(15) 1.349(16) yes
C(15) C(16) 1.425(15) yes
C(17) C(18) 1.427(12) yes
C(17) C(22) 1.368(13) yes
C(18) C(19) 1.407(15) yes
C(19) C(20) 1.390(16) yes
C(20) C(21) 1.396(19) yes
C(21) C(22) 1.425(15) yes
C(23) C(24) 1.422(10) yes
C(23) C(28) 1.398(10) yes
C(24) C(25) 1.391(11) yes
C(25) C(26) 1.373(13) yes
C(26) C(27) 1.390(12) yes
C(27) C(28) 1.403(11) yes
C(29) C(30) 1.383(11) yes
C(29) C(34) 1.399(11) yes
C(30) C(31) 1.388(11) yes
C(31) C(32) 1.381(14) yes
C(32) C(33) 1.413(13) yes
C(33) C(34) 1.390(11) yes
C(35) C(36) 1.406(11) yes
C(35) C(40) 1.386(11) yes
C(36) C(37) 1.439(13) yes
C(37) C(38) 1.355(13) yes
C(38) C(39) 1.392(14) yes
C(39) C(40) 1.394(13) yes
C(41) C(42) 1.410(11) yes
C(41) C(46) 1.417(11) yes
C(42) C(43) 1.389(10) yes
C(43) C(44) 1.351(12) yes
C(44) C(45) 1.383(14) yes
C(45) C(46) 1.403(12) yes
C(2) H(1) 0.990 no
C(2) H(2) 0.990 no
C(3) H(3) 0.990 no
C(3) H(4) 0.990 no
C(4) H(5) 0.990 no
C(4) H(6) 0.990 no
C(5) H(7) 0.990 no
C(5) H(8) 0.990 no
C(6) H(9) 0.990 no
C(6) H(10) 0.990 no
C(8) H(11) 0.980 no
C(8) H(12) 0.980 no
C(8) H(13) 0.980 no
C(9) H(14) 0.980 no
C(9) H(15) 0.980 no
C(9) H(16) 0.980 no
C(10) H(17) 0.980 no
C(10) H(18) 0.980 no
C(10) H(19) 0.980 no
C(12) H(20) 0.950 no
C(13) H(21) 0.950 no
C(14) H(22) 0.950 no
C(15) H(23) 0.950 no
C(16) H(24) 0.950 no
C(18) H(25) 0.950 no
C(19) H(26) 0.950 no
C(20) H(27) 0.950 no
C(21) H(28) 0.950 no
C(22) H(29) 0.950 no
C(24) H(30) 0.950 no
C(25) H(31) 0.950 no
C(26) H(32) 0.950 no
C(27) H(33) 0.950 no
C(28) H(34) 0.950 no
C(30) H(35) 0.950 no
C(31) H(36) 0.950 no
C(32) H(37) 0.950 no
C(33) H(38) 0.950 no
C(34) H(39) 0.950 no
C(36) H(40) 0.950 no
C(37) H(41) 0.950 no
C(38) H(42) 0.950 no
C(39) H(43) 0.950 no
C(40) H(44) 0.950 no
C(42) H(45) 0.950 no
C(43) H(46) 0.950 no
C(44) H(47) 0.950 no
C(45) H(48) 0.950 no
C(46) H(49) 0.950 no
C(47) H(50) 0.990 no
C(47) H(51) 0.990 no
