#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:20:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179964 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/58/7025815.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_7025815
loop_
_publ_author_name
'López-Valbuena, Josep M'
'Escudero-Adan, Eduardo C'
'Benet-Buchholz, Jordi'
'Freixa, Zoraida'
'van Leeuwen, Piet W. N. M.'
_publ_section_title
;
 An approach to bimetallic catalysts by ligand design.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8560
_journal_page_last               8574
_journal_paper_doi               10.1039/c0dt00011f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C82 H76 Cl2 O12 P4 Rh2'
_chemical_formula_weight         1654.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 108.713(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.1626(9)
_cell_length_b                   17.4391(9)
_cell_length_c                   13.3646(6)
_cell_measurement_reflns_used    4749
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.32
_cell_measurement_theta_min      2.84
_cell_volume                     4009.3(3)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            49393
_diffrn_reflns_theta_full        36.54
_diffrn_reflns_theta_max         36.54
_diffrn_reflns_theta_min         2.62
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.616
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
TWINABS Version 2008/4 Bruker AXS
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         3.597
_refine_diff_density_min         -1.773
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         17840
_refine_ls_number_restraints     124
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0728
_refine_ls_shift/su_max          0.005
_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+10.5465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1971
_refine_ls_wR_factor_ref         0.2213
_reflns_number_gt                13571
_reflns_number_total             17840
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00011f.txt
_cod_data_source_block           jm233-5_19
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7025815
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.257550(11) 0.500084(12) 0.856564(17) 0.01614(3) Uani 1 1 d . A .
P1 P 0.22924(4) 0.55604(5) 0.99621(6) 0.01925(14) Uani 1 1 d . . .
Cl1 Cl 0.16666(4) 0.40133(5) 0.85333(7) 0.02838(16) Uani 1 1 d . . .
C1 C 0.32338(16) 0.5791(2) 0.8582(3) 0.0251(6) Uani 1 1 d . . .
C2 C 0.27273(16) 0.64815(18) 1.0498(2) 0.0225(6) Uani 1 1 d . A .
O1 O 0.36295(14) 0.63022(14) 0.8618(2) 0.0280(5) Uani 1 1 d . A .
P2 P 0.31122(4) 0.42273(5) 0.75648(6) 0.01889(14) Uani 1 1 d . . .
C7 C 0.2566(2) 0.7113(2) 0.9826(3) 0.0313(7) Uani 1 1 d . . .
H7A H 0.2296 0.7045 0.9095 0.038 Uiso 1 1 calc R A .
O2 O 0.46807(12) 0.50638(12) 0.86020(16) 0.0173(4) Uani 1 1 d . A .
C6 C 0.2795(2) 0.7843(2) 1.0217(3) 0.0359(8) Uani 1 1 d . A .
H6A H 0.2682 0.8272 0.9754 0.043 Uiso 1 1 calc R . .
O3 O 0.60350(11) 0.50442(12) 0.92072(17) 0.0182(4) Uani 1 1 d . A .
C5 C 0.3189(2) 0.7945(2) 1.1286(3) 0.0327(8) Uani 1 1 d . . .
H5A H 0.3338 0.8445 1.1558 0.039 Uiso 1 1 calc R A .
C4 C 0.3363(2) 0.7325(2) 1.1947(3) 0.0315(8) Uani 1 1 d . A .
H4A H 0.3642 0.7395 1.2675 0.038 Uiso 1 1 calc R . .
C3 C 0.3132(2) 0.6586(2) 1.1559(3) 0.0274(7) Uani 1 1 d . . .
H3A H 0.3254 0.6158 1.2023 0.033 Uiso 1 1 calc R A .
C8 C 0.12836(12) 0.57169(17) 0.9937(2) 0.0197(9) Uani 0.645(6) 1 d PGU A 1
C9 C 0.11123(17) 0.6061(2) 1.0774(2) 0.0351(13) Uani 0.645(6) 1 d PGU A 1
H9A H 0.1518 0.6176 1.1409 0.042 Uiso 0.645(6) 1 calc PR A 1
C10 C 0.0347(2) 0.6237(3) 1.0682(3) 0.0354(12) Uani 0.645(6) 1 d PGU A 1
H10A H 0.0230 0.6472 1.1254 0.042 Uiso 0.645(6) 1 calc PR A 1
C11 C -0.02471(14) 0.6069(3) 0.9753(4) 0.0324(12) Uani 0.645(6) 1 d PGU A 1
H11A H -0.0770 0.6189 0.9691 0.039 Uiso 0.645(6) 1 calc PR A 1
C12 C -0.00758(13) 0.5724(3) 0.8916(3) 0.0356(13) Uani 0.645(6) 1 d PGU A 1
H12A H -0.0482 0.5609 0.8281 0.043 Uiso 0.645(6) 1 calc PR A 1
C13 C 0.06896(15) 0.5549(2) 0.9008(2) 0.0303(12) Uani 0.645(6) 1 d PGU A 1
H13A H 0.0807 0.5313 0.8436 0.036 Uiso 0.645(6) 1 calc PR A 1
C8' C 0.1299(6) 0.5794(7) 0.9767(9) 0.0250(17) Uani 0.355(6) 1 d PU A 2
C9' C 0.1089(7) 0.6146(8) 1.0551(10) 0.037(2) Uani 0.355(6) 1 d PU A 2
H9A' H 0.1462 0.6240 1.1223 0.044 Uiso 0.355(6) 1 calc PR A 2
C10' C 0.0284(9) 0.6371(10) 1.0333(13) 0.052(3) Uani 0.355(6) 1 d PU A 2
H10' H 0.0148 0.6649 1.0860 0.062 Uiso 0.355(6) 1 calc PR A 2
C11' C -0.0292(7) 0.6206(8) 0.9406(11) 0.040(2) Uani 0.355(6) 1 d PU A 2
H11' H -0.0823 0.6314 0.9307 0.048 Uiso 0.355(6) 1 calc PR A 2
C12' C -0.0041(10) 0.5856(11) 0.8585(14) 0.058(3) Uani 0.355(6) 1 d PU A 2
H12' H -0.0410 0.5769 0.7908 0.070 Uiso 0.355(6) 1 calc PR A 2
C13' C 0.0704(7) 0.5653(8) 0.8770(11) 0.038(2) Uani 0.355(6) 1 d PU A 2
H13' H 0.0844 0.5407 0.8224 0.045 Uiso 0.355(6) 1 calc PR A 2
C14 C 0.24455(16) 0.36697(19) 0.6524(2) 0.0237(6) Uani 1 1 d . A .
C15 C 0.1744(2) 0.4006(3) 0.5904(4) 0.0387(10) Uani 1 1 d . . .
H15A H 0.1622 0.4517 0.6041 0.046 Uiso 1 1 calc R A .
C16 C 0.1229(2) 0.3590(3) 0.5092(4) 0.0452(11) Uani 1 1 d . A .
H16A H 0.0759 0.3821 0.4665 0.054 Uiso 1 1 calc R . .
C17 C 0.1397(2) 0.2844(3) 0.4901(3) 0.0430(9) Uani 1 1 d . . .
H17A H 0.1041 0.2562 0.4345 0.052 Uiso 1 1 calc R A .
C18 C 0.2072(2) 0.2506(2) 0.5506(3) 0.0357(8) Uani 1 1 d . A .
H18A H 0.2179 0.1989 0.5380 0.043 Uiso 1 1 calc R . .
C19 C 0.2601(2) 0.2921(2) 0.6308(3) 0.0286(7) Uani 1 1 d . . .
H19A H 0.3076 0.2688 0.6713 0.034 Uiso 1 1 calc R A .
C20 C 0.37528(15) 0.35164(18) 0.8428(2) 0.0213(6) Uani 1 1 d . A .
C21 C 0.44971(16) 0.33568(19) 0.8399(3) 0.0261(6) Uani 1 1 d . . .
H21A H 0.4672 0.3587 0.7871 0.031 Uiso 1 1 calc R A .
C22 C 0.49869(18) 0.2865(2) 0.9132(3) 0.0296(7) Uani 1 1 d . A .
H22A H 0.5498 0.2771 0.9114 0.036 Uiso 1 1 calc R . .
C23 C 0.47304(18) 0.2510(2) 0.9896(3) 0.0274(7) Uani 1 1 d . . .
H23A H 0.5068 0.2183 1.0410 0.033 Uiso 1 1 calc R A .
C24 C 0.39733(18) 0.26384(19) 0.9896(3) 0.0265(6) Uani 1 1 d . A .
H24A H 0.3786 0.2378 1.0391 0.032 Uiso 1 1 calc R . .
C25 C 0.34907(16) 0.31460(18) 0.9176(2) 0.0235(6) Uani 1 1 d . . .
H25A H 0.2980 0.3241 0.9194 0.028 Uiso 1 1 calc R A .
C26 C 0.37243(14) 0.47167(17) 0.6919(2) 0.0187(5) Uani 1 1 d . A .
C27 C 0.35008(16) 0.48311(19) 0.5816(2) 0.0212(6) Uani 1 1 d . . .
H27A H 0.3055 0.4571 0.5374 0.025 Uiso 1 1 calc R A .
C28 C 0.39160(16) 0.53166(19) 0.5350(2) 0.0213(6) Uani 1 1 d . A .
C29 C 0.45564(17) 0.57202(18) 0.6008(2) 0.0215(6) Uani 1 1 d . . .
H29A H 0.4838 0.6059 0.5708 0.026 Uiso 1 1 calc R A .
C30 C 0.47779(14) 0.56274(16) 0.7083(2) 0.0174(5) Uani 1 1 d . A .
C31 C 0.43845(15) 0.51042(17) 0.7515(2) 0.0173(5) Uani 1 1 d . . .
C32 C 0.3664(2) 0.5437(2) 0.4178(3) 0.0304(7) Uani 1 1 d . . .
H32A H 0.3977 0.5114 0.3870 0.046 Uiso 1 1 calc R A .
H32B H 0.3736 0.5977 0.4027 0.046 Uiso 1 1 calc R . .
H32C H 0.3114 0.5300 0.3869 0.046 Uiso 1 1 calc R . .
C33 C 0.53841(15) 0.60207(17) 0.7972(2) 0.0187(5) Uani 1 1 d . . .
H33A H 0.5257 0.6572 0.8040 0.022 Uiso 1 1 calc R A .
C34 C 0.53527(14) 0.55375(17) 0.8929(2) 0.0176(5) Uani 1 1 d . A .
H34A H 0.5351 0.5872 0.9535 0.021 Uiso 1 1 calc R . .
C35 C 0.65378(15) 0.53410(17) 0.8733(2) 0.0187(5) Uani 1 1 d . . .
C36 C 0.62110(14) 0.59105(17) 0.8000(2) 0.0180(5) Uani 1 1 d . A .
C37 C 0.66381(15) 0.62537(18) 0.7434(2) 0.0207(5) Uani 1 1 d . . .
H37A H 0.6413 0.6640 0.6926 0.025 Uiso 1 1 calc R A .
C38 C 0.74098(16) 0.60222(18) 0.7621(2) 0.0221(5) Uani 1 1 d . A .
C39 C 0.77301(16) 0.54589(18) 0.8372(2) 0.0223(6) Uani 1 1 d . . .
H39A H 0.8255 0.5311 0.8493 0.027 Uiso 1 1 calc R A .
C40 C 0.26914(14) 0.49029(17) 1.1039(2) 0.0195(5) Uani 1 1 d . . .
C41 C 0.78895(19) 0.6393(2) 0.7019(3) 0.0328(8) Uani 1 1 d . . .
H41A H 0.8167 0.6836 0.7417 0.049 Uiso 1 1 calc R A .
H41B H 0.7547 0.6563 0.6327 0.049 Uiso 1 1 calc R . .
H41C H 0.8266 0.6022 0.6923 0.049 Uiso 1 1 calc R . .
O1W O 0.1325(4) 0.9296(4) 0.8450(5) 0.1050(16) Uani 1 1 d DU B 1
H11 H 0.1402 0.9144 0.7889 0.157 Uiso 1 1 d RD B 1
H12 H 0.1772 0.9313 0.8914 0.157 Uiso 1 1 d RD B 1
O4W O 0.0384(7) 0.6949(7) 0.7457(9) 0.0397(18) Uani 0.25 1 d PDU C 1
H41 H 0.0553 0.7348 0.7825 0.060 Uiso 0.25 1 d PRD C 1
H42 H 0.0714 0.6857 0.7143 0.060 Uiso 0.25 1 d PRD C 1
O5W O 0.1074(8) 0.6176(8) 0.5503(11) 0.0441(18) Uani 0.25 1 d PDU D 1
H51 H 0.1559 0.6260 0.5759 0.066 Uiso 0.25 1 d PRD D 1
H52 H 0.0917 0.6133 0.6036 0.066 Uiso 0.25 1 d PRD D 1
O6W O 0.0049(7) 0.8799(8) 0.8434(10) 0.0441(18) Uani 0.25 1 d PDU E 1
H61 H 0.0425 0.9084 0.8422 0.066 Uiso 0.25 1 d PRD E 1
H62 H 0.0237 0.8348 0.8534 0.066 Uiso 0.25 1 d PRD E 1
O7W O 0.1005(9) 0.8097(9) 0.7929(12) 0.056(2) Uani 0.25 1 d PDU F 3
H71 H 0.0607 0.8098 0.8134 0.084 Uiso 0.25 1 d PRD F 3
H72 H 0.0970 0.7685 0.7576 0.084 Uiso 0.25 1 d PRD F 3
O2W O 0.0054(3) 0.9684(4) 0.8962(7) 0.057(2) Uani 0.50 1 d PD G 2
H21 H -0.0123 1.0116 0.8694 0.085 Uiso 0.50 1 d PRD G 2
H22 H 0.0438 0.9595 0.8746 0.085 Uiso 0.50 1 d PRD G 2
O3W O 0.0290(4) 0.8024(5) 0.8500(7) 0.061(2) Uani 0.50 1 d PD H 2
H31 H 0.0517 0.8336 0.8992 0.092 Uiso 0.50 1 d PRD H 2
H32 H -0.0094 0.8272 0.8097 0.092 Uiso 0.50 1 d PRD H 2
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'
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'
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_1
_geom_angle_site_symmetry_3
C1 Rh1 P1 89.21(11) . .
C1 Rh1 P2 92.93(11) . .
P1 Rh1 P2 162.88(3) . .
C1 Rh1 Cl1 177.23(10) . .
P1 Rh1 Cl1 89.28(3) . .
P2 Rh1 Cl1 89.20(3) . .
C8' P1 C40 113.0(4) . .
C8' P1 C2 98.4(4) . .
C40 P1 C2 103.50(14) . .
C8' P1 C8 8.5(4) . .
C40 P1 C8 104.58(14) . .
C2 P1 C8 100.30(14) . .
C8' P1 Rh1 117.1(4) . .
C40 P1 Rh1 103.91(10) . .
C2 P1 Rh1 120.49(11) . .
C8 P1 Rh1 121.80(10) . .
O1 C1 Rh1 177.0(3) . .
C3 C2 C7 119.3(3) . .
C3 C2 P1 122.4(3) . .
C7 C2 P1 117.9(2) . .
C14 P2 C26 104.32(14) . .
C14 P2 C20 104.70(14) . .
C26 P2 C20 104.72(13) . .
C14 P2 Rh1 117.02(11) . .
C26 P2 Rh1 115.65(10) . .
C20 P2 Rh1 109.23(11) . .
C6 C7 C2 120.5(3) . .
C31 O2 C34 107.4(2) . .
C7 C6 C5 119.8(4) . .
C35 O3 C34 107.3(2) . .
C4 C5 C6 119.9(3) . .
C5 C4 C3 120.6(3) . .
C2 C3 C4 119.8(3) . .
C9 C8 C13 120.0 . .
C9 C8 P1 121.84(15) . .
C13 C8 P1 117.87(15) . .
C10 C9 C8 120.0 . .
C9 C10 C11 120.0 . .
C10 C11 C12 120.0 . .
C11 C12 C13 120.0 . .
C12 C13 C8 120.0 . .
C9' C8' C13' 118.2(10) . .
C9' C8' P1 120.5(8) . .
C13' C8' P1 121.2(9) . .
C8' C9' C10' 118.6(11) . .
C11' C10' C9' 123.4(14) . .
C10' C11' C12' 116.1(13) . .
C13' C12' C11' 120.9(14) . .
C12' C13' C8' 122.5(14) . .
C19 C14 C15 118.5(3) . .
C19 C14 P2 122.4(2) . .
C15 C14 P2 119.1(3) . .
C16 C15 C14 120.0(4) . .
C17 C16 C15 120.2(4) . .
C18 C17 C16 120.5(4) . .
C17 C18 C19 120.0(4) . .
C14 C19 C18 120.9(3) . .
C21 C20 C25 119.0(3) . .
C21 C20 P2 122.9(3) . .
C25 C20 P2 118.0(2) . .
C22 C21 C20 120.8(3) . .
C21 C22 C23 120.1(3) . .
C24 C23 C22 119.3(3) . .
C25 C24 C23 120.3(3) . .
C24 C25 C20 120.4(3) . .
C31 C26 C27 115.9(3) . .
C31 C26 P2 120.3(2) . .
C27 C26 P2 123.1(2) . .
C28 C27 C26 122.2(3) . .
C29 C28 C27 118.7(3) . .
C29 C28 C32 119.9(3) . .
C27 C28 C32 121.4(3) . .
C30 C29 C28 120.2(3) . .
C29 C30 C31 119.6(2) . .
C29 C30 C33 132.0(3) . .
C31 C30 C33 108.3(2) . .
O2 C31 C26 123.6(3) . .
O2 C31 C30 113.0(2) . .
C26 C31 C30 123.1(3) . .
C30 C33 C36 115.7(2) . .
C30 C33 C34 101.1(2) . .
C36 C33 C34 102.2(2) . .
O2 C34 O3 108.2(2) . .
O2 C34 C33 108.6(2) . .
O3 C34 C33 106.2(2) . .
O3 C35 C36 113.5(2) . .
O3 C35 C40 123.6(3) . 3_667
C36 C35 C40 122.9(3) . 3_667
C37 C36 C35 120.6(3) . .
C37 C36 C33 131.5(3) . .
C35 C36 C33 107.9(2) . .
C36 C37 C38 118.8(3) . .
C39 C38 C37 119.7(3) . .
C39 C38 C41 120.5(3) . .
C37 C38 C41 119.8(3) . .
C38 C39 C40 122.8(3) . 3_667
C35 C40 C39 115.2(3) 3_667 3_667
C35 C40 P1 119.0(2) 3_667 .
C39 C40 P1 125.4(2) 3_667 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C1 1.819(3) .
Rh1 P1 2.3056(9) .
Rh1 P2 2.3228(8) .
Rh1 Cl1 2.3764(8) .
P1 C8' 1.785(10) .
P1 C40 1.800(3) .
P1 C2 1.831(3) .
P1 C8 1.842(2) .
C1 O1 1.137(4) .
C2 C3 1.384(4) .
C2 C7 1.392(5) .
P2 C14 1.807(3) .
P2 C26 1.823(3) .
P2 C20 1.833(3) .
C7 C6 1.387(5) .
O2 C31 1.380(3) .
O2 C34 1.422(3) .
C6 C5 1.389(6) .
O3 C35 1.369(4) .
O3 C34 1.455(3) .
C5 C4 1.367(5) .
C4 C3 1.402(5) .
C8 C9 1.3900 .
C8 C13 1.3900 .
C9 C10 1.3900 .
C10 C11 1.3900 .
C11 C12 1.3900 .
C12 C13 1.3900 .
C8' C9' 1.369(17) .
C8' C13' 1.443(16) .
C9' C10' 1.451(19) .
C10' C11' 1.371(19) .
C11' C12' 1.45(2) .
C12' C13' 1.34(2) .
C14 C19 1.386(5) .
C14 C15 1.406(5) .
C15 C16 1.388(6) .
C16 C17 1.380(7) .
C17 C18 1.365(6) .
C18 C19 1.391(5) .
C20 C21 1.393(4) .
C20 C25 1.396(5) .
C21 C22 1.388(5) .
C22 C23 1.396(6) .
C23 C24 1.394(5) .
C24 C25 1.392(4) .
C26 C31 1.384(4) .
C26 C27 1.412(4) .
C27 C28 1.405(5) .
C28 C29 1.402(4) .
C28 C32 1.500(4) .
C29 C30 1.372(4) .
C30 C31 1.393(4) .
C30 C33 1.502(4) .
C33 C36 1.503(4) .
C33 C34 1.547(4) .
C35 C36 1.387(4) .
C35 C40 1.400(4) 3_667
C36 C37 1.382(4) .
C37 C38 1.402(4) .
C38 C39 1.391(4) .
C38 C41 1.509(5) .
C39 C40 1.411(4) 3_667
C40 C35 1.400(4) 3_667
C40 C39 1.411(4) 3_667
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_1
_geom_torsion_site_symmetry_4
C1 Rh1 P1 C8' 121.5(4) . .
P2 Rh1 P1 C8' -141.2(4) . .
Cl1 Rh1 P1 C8' -56.2(4) . .
C1 Rh1 P1 C40 -113.12(13) . .
P2 Rh1 P1 C40 -15.74(14) . .
Cl1 Rh1 P1 C40 69.19(9) . .
C1 Rh1 P1 C2 2.03(14) . .
P2 Rh1 P1 C2 99.41(14) . .
Cl1 Rh1 P1 C2 -175.65(11) . .
C1 Rh1 P1 C8 129.57(15) . .
P2 Rh1 P1 C8 -133.05(14) . .
Cl1 Rh1 P1 C8 -48.12(12) . .
P1 Rh1 C1 O1 -18(6) . .
P2 Rh1 C1 O1 179(100) . .
Cl1 Rh1 C1 O1 39(7) . .
C8' P1 C2 C3 105.4(5) . .
C40 P1 C2 C3 -10.8(3) . .
C8 P1 C2 C3 97.0(3) . .
Rh1 P1 C2 C3 -126.2(3) . .
C8' P1 C2 C7 -67.3(5) . .
C40 P1 C2 C7 176.5(3) . .
C8 P1 C2 C7 -75.7(3) . .
Rh1 P1 C2 C7 61.1(3) . .
C1 Rh1 P2 C14 -138.76(16) . .
P1 Rh1 P2 C14 124.41(15) . .
Cl1 Rh1 P2 C14 39.47(13) . .
C1 Rh1 P2 C26 -15.19(13) . .
P1 Rh1 P2 C26 -112.02(13) . .
Cl1 Rh1 P2 C26 163.04(10) . .
C1 Rh1 P2 C20 102.58(14) . .
P1 Rh1 P2 C20 5.76(15) . .
Cl1 Rh1 P2 C20 -79.19(10) . .
C3 C2 C7 C6 -1.2(6) . .
P1 C2 C7 C6 171.8(3) . .
C2 C7 C6 C5 0.0(6) . .
C7 C6 C5 C4 1.2(6) . .
C6 C5 C4 C3 -1.3(6) . .
C7 C2 C3 C4 1.1(5) . .
P1 C2 C3 C4 -171.5(3) . .
C5 C4 C3 C2 0.2(6) . .
C8' P1 C8 C9 -121(3) . .
C40 P1 C8 C9 63.7(2) . .
C2 P1 C8 C9 -43.3(2) . .
Rh1 P1 C8 C9 -179.35(17) . .
C8' P1 C8 C13 53(3) . .
C40 P1 C8 C13 -122.5(2) . .
C2 P1 C8 C13 130.5(2) . .
Rh1 P1 C8 C13 -5.5(2) . .
C13 C8 C9 C10 0.0 . .
P1 C8 C9 C10 173.68(19) . .
C8 C9 C10 C11 0.0 . .
C9 C10 C11 C12 0.0 . .
C10 C11 C12 C13 0.0 . .
C11 C12 C13 C8 0.0 . .
C9 C8 C13 C12 0.0 . .
P1 C8 C13 C12 -173.93(19) . .
C40 P1 C8' C9' 60.9(11) . .
C2 P1 C8' C9' -47.7(11) . .
C8 P1 C8' C9' 56(2) . .
Rh1 P1 C8' C9' -178.3(9) . .
C40 P1 C8' C13' -122.0(10) . .
C2 P1 C8' C13' 129.4(10) . .
C8 P1 C8' C13' -127(3) . .
Rh1 P1 C8' C13' -1.3(12) . .
C13' C8' C9' C10' -1(2) . .
P1 C8' C9' C10' 175.9(11) . .
C8' C9' C10' C11' 5(2) . .
C9' C10' C11' C12' -6(2) . .
C10' C11' C12' C13' 5(2) . .
C11' C12' C13' C8' -2(3) . .
C9' C8' C13' C12' 0(2) . .
P1 C8' C13' C12' -176.8(13) . .
C26 P2 C14 C19 90.9(3) . .
C20 P2 C14 C19 -18.8(3) . .
Rh1 P2 C14 C19 -139.9(3) . .
C26 P2 C14 C15 -88.7(3) . .
C20 P2 C14 C15 161.6(3) . .
Rh1 P2 C14 C15 40.5(4) . .
C19 C14 C15 C16 -0.5(6) . .
P2 C14 C15 C16 179.2(4) . .
C14 C15 C16 C17 1.0(7) . .
C15 C16 C17 C18 -0.2(7) . .
C16 C17 C18 C19 -1.2(7) . .
C15 C14 C19 C18 -0.9(6) . .
P2 C14 C19 C18 179.4(3) . .
C17 C18 C19 C14 1.8(6) . .
C14 P2 C20 C21 100.6(3) . .
C26 P2 C20 C21 -8.8(3) . .
Rh1 P2 C20 C21 -133.3(3) . .
C14 P2 C20 C25 -82.3(3) . .
C26 P2 C20 C25 168.3(2) . .
Rh1 P2 C20 C25 43.8(3) . .
C25 C20 C21 C22 -3.0(5) . .
P2 C20 C21 C22 174.1(3) . .
C20 C21 C22 C23 1.5(5) . .
C21 C22 C23 C24 1.6(5) . .
C22 C23 C24 C25 -3.2(5) . .
C23 C24 C25 C20 1.7(5) . .
C21 C20 C25 C24 1.4(5) . .
P2 C20 C25 C24 -175.8(2) . .
C14 P2 C26 C31 -169.8(2) . .
C20 P2 C26 C31 -60.0(3) . .
Rh1 P2 C26 C31 60.2(3) . .
C14 P2 C26 C27 20.7(3) . .
C20 P2 C26 C27 130.4(3) . .
Rh1 P2 C26 C27 -109.3(3) . .
C31 C26 C27 C28 -0.9(4) . .
P2 C26 C27 C28 169.1(2) . .
C26 C27 C28 C29 -2.3(5) . .
C26 C27 C28 C32 -179.3(3) . .
C27 C28 C29 C30 1.3(5) . .
C32 C28 C29 C30 178.3(3) . .
C28 C29 C30 C31 2.8(4) . .
C28 C29 C30 C33 -174.3(3) . .
C34 O2 C31 C26 -179.6(3) . .
C34 O2 C31 C30 -4.9(3) . .
C27 C26 C31 O2 179.4(3) . .
P2 C26 C31 O2 9.1(4) . .
C27 C26 C31 C30 5.2(4) . .
P2 C26 C31 C30 -165.1(2) . .
C29 C30 C31 O2 178.9(3) . .
C33 C30 C31 O2 -3.3(3) . .
C29 C30 C31 C26 -6.4(4) . .
C33 C30 C31 C26 171.4(3) . .
C29 C30 C33 C36 -63.9(4) . .
C31 C30 C33 C36 118.7(3) . .
C29 C30 C33 C34 -173.4(3) . .
C31 C30 C33 C34 9.2(3) . .
C31 O2 C34 O3 -103.9(2) . .
C31 O2 C34 C33 10.9(3) . .
C35 O3 C34 O2 133.1(2) . .
C35 O3 C34 C33 16.7(3) . .
C30 C33 C34 O2 -12.2(3) . .
C36 C33 C34 O2 -131.9(2) . .
C30 C33 C34 O3 103.9(2) . .
C36 C33 C34 O3 -15.8(3) . .
C34 O3 C35 C36 -11.0(3) . .
C34 O3 C35 C40 168.9(3) . 3_667
O3 C35 C36 C37 -178.3(3) . .
C40 C35 C36 C37 1.7(4) 3_667 .
O3 C35 C36 C33 0.3(3) . .
C40 C35 C36 C33 -179.6(3) 3_667 .
C30 C33 C36 C37 79.2(4) . .
C34 C33 C36 C37 -171.9(3) . .
C30 C33 C36 C35 -99.2(3) . .
C34 C33 C36 C35 9.6(3) . .
C35 C36 C37 C38 -0.7(4) . .
C33 C36 C37 C38 -179.0(3) . .
C36 C37 C38 C39 -0.3(4) . .
C36 C37 C38 C41 -179.5(3) . .
C37 C38 C39 C40 0.5(5) . 3_667
C41 C38 C39 C40 179.6(3) . 3_667
C8' P1 C40 C35 178.8(4) . 3_667
C2 P1 C40 C35 -75.9(3) . 3_667
C8 P1 C40 C35 179.5(2) . 3_667
Rh1 P1 C40 C35 50.8(2) . 3_667
C8' P1 C40 C39 5.5(5) . 3_667
C2 P1 C40 C39 110.8(3) . 3_667
C8 P1 C40 C39 6.2(3) . 3_667
Rh1 P1 C40 C39 -122.5(3) . 3_667
