#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:42 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179771 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/67/7006770.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_7006770
loop_
_publ_author_name
'Jiménez-Rodríguez, Cristina'
'Roca, Francesc X.'
'Bo, Carles'
'Benet-Buchholz, Jordi'
'Escudero-Adán, Eduardo C'
'Freixa, Zoraida'
'van Leeuwen, Piet W. N. M.'
_publ_section_title
;
 SPANphos: trans-spanning diphosphines as cis chelating ligands!
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              268
_journal_page_last               278
_journal_paper_doi               10.1039/b513870c
_journal_year                    2006
_chemical_formula_sum            'C51 H78 Cl2 O2 P2 Rh2'
_chemical_formula_weight         1061.79
_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                 97.392(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3860(15)
_cell_length_b                   18.114(2)
_cell_length_c                   21.617(3)
_cell_measurement_reflns_used    5830
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.37
_cell_measurement_theta_min      2.61
_cell_volume                     4809.7(10)
_computing_cell_refinement       'Bruker-Nonius Apex v1.0-22 2002'
_computing_data_collection       'Bruker-Nonius Apex v1.0-22 2002'
_computing_data_reduction        'SAINT+ Version 7.06A Bruker-Nonius, 2004'
_computing_molecular_graphics    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_publication_material  'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_structure_refinement  'Shelxtl Version 6.12 (Sheldrick, 2001)'
_computing_structure_solution    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_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 0.880
_diffrn_measured_fraction_theta_max 0.880
_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  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            70795
_diffrn_reflns_theta_full        36.03
_diffrn_reflns_theta_max         36.03
_diffrn_reflns_theta_min         2.61
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           90
_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    0.903
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6919
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2.1 2003 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.282
_refine_diff_density_min         -2.311
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         20080
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1104
_refine_ls_R_factor_gt           0.0683
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0791P)²+17.7269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1741
_refine_ls_wR_factor_ref         0.1957
_reflns_number_gt                13264
_reflns_number_total             20080
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b513870c.txt
_cod_data_source_block           cji19a_0m
_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 1383 2010-08-28 14:59:44Z 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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4809.9(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7006770
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 1.19014(2) 0.296777(16) 0.696974(15) 0.01893(7) Uani 1 1 d . . .
P1 P 1.10968(8) 0.19033(5) 0.64734(5) 0.01709(17) Uani 1 1 d . . .
Cl1 Cl 1.16261(10) 0.24967(6) 0.79546(5) 0.0300(2) Uani 1 1 d . . .
C1 C 0.8687(3) 0.3427(2) 0.55067(18) 0.0174(6) Uani 1 1 d . . .
O1 O 0.9584(2) 0.29952(14) 0.57787(12) 0.0161(4) Uani 1 1 d . . .
Rh2 Rh 0.54385(3) 0.272965(19) 0.409417(18) 0.02686(8) Uani 1 1 d . . .
P2 P 0.63959(8) 0.17501(5) 0.46438(5) 0.01972(18) Uani 1 1 d . . .
Cl2 Cl 0.57010(10) 0.22134(7) 0.31226(6) 0.0363(3) Uani 1 1 d . . .
O2 O 0.7819(2) 0.29444(15) 0.52655(13) 0.0188(5) Uani 1 1 d . . .
C2 C 0.9003(3) 0.38835(18) 0.49719(18) 0.0179(6) Uani 1 1 d . . .
H2A H 0.9580 0.4236 0.5138 0.022 Uiso 1 1 calc R . .
H2B H 0.8363 0.4175 0.4791 0.022 Uiso 1 1 calc R . .
C3 C 0.9415(3) 0.34281(19) 0.44485(18) 0.0168(6) Uani 1 1 d . . .
C4 C 0.9964(3) 0.27227(18) 0.47236(17) 0.0152(6) Uani 1 1 d . . .
C5 C 1.0417(3) 0.22306(19) 0.43284(18) 0.0174(6) Uani 1 1 d . . .
H5 H 1.0313 0.2317 0.3891 0.021 Uiso 1 1 calc R . .
C6 C 1.1013(3) 0.16211(19) 0.45605(18) 0.0188(6) Uani 1 1 d . . .
C7 C 1.1210(3) 0.15276(18) 0.52002(18) 0.0196(7) Uani 1 1 d . . .
H7 H 1.1659 0.1129 0.5361 0.023 Uiso 1 1 calc R . .
C8 C 1.0772(3) 0.19993(18) 0.56234(16) 0.0153(6) Uani 1 1 d . . .
C9 C 1.0086(3) 0.25728(17) 0.53608(17) 0.0154(6) Uani 1 1 d . . .
C10 C 0.8467(3) 0.3266(2) 0.39281(19) 0.0213(7) Uani 1 1 d . . .
H10A H 0.8730 0.2957 0.3607 0.032 Uiso 1 1 calc R . .
H10B H 0.8185 0.3732 0.3742 0.032 Uiso 1 1 calc R . .
H10C H 0.7885 0.3006 0.4106 0.032 Uiso 1 1 calc R . .
C11 C 1.0283(3) 0.3888(2) 0.41632(19) 0.0209(7) Uani 1 1 d . . .
H11A H 1.0908 0.3976 0.4481 0.031 Uiso 1 1 calc R . .
H11B H 0.9967 0.4361 0.4014 0.031 Uiso 1 1 calc R . .
H11C H 1.0523 0.3617 0.3813 0.031 Uiso 1 1 calc R . .
C12 C 1.1448(4) 0.1079(2) 0.4120(2) 0.0250(8) Uani 1 1 d . . .
H12A H 1.1970 0.1330 0.3888 0.038 Uiso 1 1 calc R . .
H12B H 1.0844 0.0887 0.3827 0.038 Uiso 1 1 calc R . .
H12C H 1.1811 0.0670 0.4360 0.038 Uiso 1 1 calc R . .
C13 C 0.8321(3) 0.3917(2) 0.60123(19) 0.0223(7) Uani 1 1 d . . .
H13A H 0.7720 0.4236 0.5821 0.027 Uiso 1 1 calc R . .
H13B H 0.8933 0.4242 0.6177 0.027 Uiso 1 1 calc R . .
C14 C 0.7933(3) 0.3494(2) 0.6561(2) 0.0254(8) Uani 1 1 d . . .
C15 C 0.7461(3) 0.2752(2) 0.63358(19) 0.0227(7) Uani 1 1 d . . .
C16 C 0.7058(3) 0.2269(3) 0.6762(2) 0.0284(9) Uani 1 1 d . . .
H16 H 0.7131 0.2401 0.7190 0.034 Uiso 1 1 calc R . .
C17 C 0.6556(4) 0.1607(3) 0.6575(2) 0.0302(9) Uani 1 1 d . . .
C18 C 0.6376(3) 0.1448(2) 0.5939(2) 0.0267(8) Uani 1 1 d . . .
H18 H 0.5990 0.1011 0.5805 0.032 Uiso 1 1 calc R . .
C19 C 0.6746(3) 0.1911(2) 0.54889(19) 0.0212(7) Uani 1 1 d . . .
C20 C 0.7354(3) 0.2541(2) 0.57089(19) 0.0203(7) Uani 1 1 d . . .
C21 C 0.7021(4) 0.3952(3) 0.6800(2) 0.0344(11) Uani 1 1 d . . .
H21A H 0.6392 0.3977 0.6476 0.052 Uiso 1 1 calc R . .
H21B H 0.7288 0.4452 0.6903 0.052 Uiso 1 1 calc R . .
H21C H 0.6804 0.3718 0.7174 0.052 Uiso 1 1 calc R . .
C22 C 0.8873(3) 0.3422(3) 0.7092(2) 0.0290(9) Uani 1 1 d . . .
H22A H 0.8625 0.3151 0.7439 0.044 Uiso 1 1 calc R . .
H22B H 0.9121 0.3915 0.7233 0.044 Uiso 1 1 calc R . .
H22C H 0.9476 0.3154 0.6942 0.044 Uiso 1 1 calc R . .
C23 C 0.6216(5) 0.1076(3) 0.7051(3) 0.0417(12) Uani 1 1 d . . .
H23A H 0.5464 0.1181 0.7119 0.063 Uiso 1 1 calc R . .
H23B H 0.6698 0.1132 0.7444 0.063 Uiso 1 1 calc R . .
H23C H 0.6264 0.0569 0.6898 0.063 Uiso 1 1 calc R . .
C24 C 0.9780(4) 0.1508(2) 0.6654(2) 0.0268(8) Uani 1 1 d . . .
H24 H 0.9203 0.1840 0.6441 0.032 Uiso 1 1 calc R . .
C25 C 0.9578(4) 0.1483(3) 0.7335(2) 0.0318(9) Uani 1 1 d . . .
H25A H 0.8835 0.1311 0.7359 0.048 Uiso 1 1 calc R . .
H25B H 0.9672 0.1978 0.7516 0.048 Uiso 1 1 calc R . .
H25C H 1.0098 0.1144 0.7567 0.048 Uiso 1 1 calc R . .
C26 C 0.9554(5) 0.0746(3) 0.6352(3) 0.0371(11) Uani 1 1 d . . .
H26A H 1.0003 0.0373 0.6592 0.056 Uiso 1 1 calc R . .
H26B H 0.9731 0.0756 0.5923 0.056 Uiso 1 1 calc R . .
H26C H 0.8782 0.0622 0.6348 0.056 Uiso 1 1 calc R . .
C28 C 1.2084(4) 0.1118(2) 0.6574(2) 0.0263(8) Uani 1 1 d . . .
H28 H 1.1804 0.0720 0.6276 0.032 Uiso 1 1 calc R . .
C29 C 1.3202(4) 0.1345(3) 0.6424(3) 0.0369(11) Uani 1 1 d . . .
H29A H 1.3526 0.1700 0.6736 0.055 Uiso 1 1 calc R . .
H29B H 1.3132 0.1573 0.6009 0.055 Uiso 1 1 calc R . .
H29C H 1.3670 0.0908 0.6429 0.055 Uiso 1 1 calc R . .
C30 C 1.2186(5) 0.0795(3) 0.7237(2) 0.0362(11) Uani 1 1 d . . .
H30A H 1.2780 0.0434 0.7290 0.054 Uiso 1 1 calc R . .
H30B H 1.1502 0.0552 0.7301 0.054 Uiso 1 1 calc R . .
H30C H 1.2341 0.1193 0.7543 0.054 Uiso 1 1 calc R . .
C32 C 1.2066(4) 0.4068(2) 0.7404(2) 0.0273(8) Uani 1 1 d . . .
H32 H 1.1765 0.4099 0.7810 0.033 Uiso 1 1 calc R . .
C33 C 1.1626(4) 0.4645(2) 0.6941(2) 0.0282(9) Uani 1 1 d . . .
H33A H 1.1945 0.5131 0.7070 0.034 Uiso 1 1 calc R . .
H33B H 1.0827 0.4679 0.6932 0.034 Uiso 1 1 calc R . .
C34 C 1.1907(3) 0.4447(2) 0.6260(2) 0.0268(8) Uani 1 1 d . . .
H34A H 1.1358 0.4676 0.5945 0.032 Uiso 1 1 calc R . .
H34B H 1.2627 0.4657 0.6206 0.032 Uiso 1 1 calc R . .
C35 C 1.1926(3) 0.3628(2) 0.61500(19) 0.0212(7) Uani 1 1 d . . .
H35 H 1.1389 0.3463 0.5792 0.025 Uiso 1 1 calc R . .
C36 C 1.2862(3) 0.3180(2) 0.62464(19) 0.0225(7) Uani 1 1 d . . .
H36 H 1.2863 0.2768 0.5939 0.027 Uiso 1 1 calc R . .
C37 C 1.3989(3) 0.3440(3) 0.6511(2) 0.0319(9) Uani 1 1 d . . .
H37A H 1.4327 0.3696 0.6179 0.038 Uiso 1 1 calc R . .
H37B H 1.4445 0.3006 0.6646 0.038 Uiso 1 1 calc R . .
C38 C 1.3967(4) 0.3964(3) 0.7066(2) 0.0313(9) Uani 1 1 d . . .
H38A H 1.4685 0.3957 0.7327 0.038 Uiso 1 1 calc R . .
H38B H 1.3829 0.4474 0.6911 0.038 Uiso 1 1 calc R . .
C39 C 1.3114(3) 0.3750(2) 0.7452(2) 0.0268(8) Uani 1 1 d . . .
H39 H 1.3407 0.3596 0.7885 0.032 Uiso 1 1 calc R . .
C40 C 0.7729(3) 0.1380(2) 0.4462(2) 0.0230(7) Uani 1 1 d . . .
H40 H 0.8289 0.1741 0.4650 0.028 Uiso 1 1 calc R . .
C41 C 0.8017(5) 0.0647(3) 0.4803(3) 0.0362(10) Uani 1 1 d . . .
H41A H 0.7527 0.0258 0.4619 0.054 Uiso 1 1 calc R . .
H41B H 0.7936 0.0702 0.5245 0.054 Uiso 1 1 calc R . .
H41C H 0.8771 0.0514 0.4761 0.054 Uiso 1 1 calc R . .
C42 C 0.7901(4) 0.1320(2) 0.3775(2) 0.0262(8) Uani 1 1 d . . .
H42A H 0.8672 0.1225 0.3745 0.039 Uiso 1 1 calc R . .
H42B H 0.7681 0.1783 0.3560 0.039 Uiso 1 1 calc R . .
H42C H 0.7461 0.0913 0.3579 0.039 Uiso 1 1 calc R . .
C44 C 0.5464(4) 0.0944(3) 0.4601(2) 0.0331(10) Uani 1 1 d . . .
H44 H 0.5791 0.0569 0.4909 0.040 Uiso 1 1 calc R . .
C45 C 0.4350(4) 0.1150(5) 0.4775(3) 0.0586(19) Uani 1 1 d . . .
H45A H 0.4032 0.1544 0.4498 0.088 Uiso 1 1 calc R . .
H45B H 0.4426 0.1321 0.5208 0.088 Uiso 1 1 calc R . .
H45C H 0.3873 0.0716 0.4729 0.088 Uiso 1 1 calc R . .
C46 C 0.5340(5) 0.0587(3) 0.3952(3) 0.0466(14) Uani 1 1 d . . .
H46A H 0.4762 0.0215 0.3924 0.070 Uiso 1 1 calc R . .
H46B H 0.6027 0.0352 0.3884 0.070 Uiso 1 1 calc R . .
H46C H 0.5150 0.0967 0.3634 0.070 Uiso 1 1 calc R . .
C48 C 0.5092(7) 0.3782(4) 0.3623(5) 0.089(4) Uani 1 1 d . . .
H48 H 0.5358 0.3813 0.3206 0.106 Uiso 1 1 calc R . .
C49 C 0.4109(5) 0.3403(4) 0.3613(3) 0.0486(15) Uani 1 1 d . . .
H49 H 0.3797 0.3214 0.3194 0.058 Uiso 1 1 calc R . .
C50 C 0.3276(4) 0.3631(4) 0.4027(3) 0.0423(13) Uani 1 1 d . . .
H50A H 0.3377 0.4159 0.4138 0.051 Uiso 1 1 calc R . .
H50B H 0.2536 0.3569 0.3799 0.051 Uiso 1 1 calc R . .
C51 C 0.3383(5) 0.3181(5) 0.4603(3) 0.0549(17) Uani 1 1 d . . .
H51A H 0.2962 0.2720 0.4519 0.066 Uiso 1 1 calc R . .
H51B H 0.3060 0.3456 0.4930 0.066 Uiso 1 1 calc R . .
C52 C 0.4560(6) 0.2985(5) 0.4849(3) 0.063(2) Uani 1 1 d . . .
H52 H 0.4627 0.2600 0.5184 0.075 Uiso 1 1 calc R . .
C53 C 0.5411(6) 0.3433(5) 0.4878(5) 0.093(4) Uani 1 1 d . . .
H53 H 0.5992 0.3318 0.5230 0.112 Uiso 1 1 calc R . .
C54 C 0.5351(7) 0.4231(6) 0.4706(9) 0.161(8) Uani 1 1 d . . .
H54A H 0.4625 0.4420 0.4773 0.193 Uiso 1 1 calc R . .
H54B H 0.5900 0.4502 0.4993 0.193 Uiso 1 1 calc R . .
C55 C 0.5526(7) 0.4396(4) 0.4073(7) 0.104(5) Uani 1 1 d . . .
H55A H 0.6315 0.4461 0.4055 0.125 Uiso 1 1 calc R . .
H55B H 0.5157 0.4866 0.3941 0.125 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'
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
_geom_angle_publ_flag
C36 Rh1 C35 38.61(15) . . ?
C36 Rh1 C32 96.90(16) . . ?
C35 Rh1 C32 80.59(16) . . ?
C36 Rh1 C39 79.68(17) . . ?
C35 Rh1 C39 87.20(16) . . ?
C32 Rh1 C39 37.18(17) . . ?
C36 Rh1 Cl1 153.14(12) . . ?
C35 Rh1 Cl1 165.48(11) . . ?
C32 Rh1 Cl1 87.65(12) . . ?
C39 Rh1 Cl1 88.56(13) . . ?
C36 Rh1 P1 93.27(12) . . ?
C35 Rh1 P1 97.48(11) . . ?
C32 Rh1 P1 160.51(13) . . ?
C39 Rh1 P1 162.23(12) . . ?
Cl1 Rh1 P1 90.75(4) . . ?
C8 P1 C24 99.21(18) . . ?
C8 P1 C28 104.15(18) . . ?
C24 P1 C28 105.0(2) . . ?
C8 P1 Rh1 113.70(11) . . ?
C24 P1 Rh1 123.12(14) . . ?
C28 P1 Rh1 109.65(15) . . ?
O1 C1 O2 109.0(3) . . ?
O1 C1 C2 110.6(3) . . ?
O2 C1 C2 108.2(3) . . ?
O1 C1 C13 108.2(3) . . ?
O2 C1 C13 109.7(3) . . ?
C2 C1 C13 111.1(3) . . ?
C9 O1 C1 115.1(3) . . ?
C53 Rh2 C52 36.4(4) . . ?
C53 Rh2 C48 80.0(4) . . ?
C52 Rh2 C48 94.5(3) . . ?
C53 Rh2 C49 87.5(3) . . ?
C52 Rh2 C49 79.4(2) . . ?
C48 Rh2 C49 37.2(3) . . ?
C53 Rh2 Cl2 165.1(3) . . ?
C52 Rh2 Cl2 155.8(2) . . ?
C48 Rh2 Cl2 88.4(3) . . ?
C49 Rh2 Cl2 88.83(16) . . ?
C53 Rh2 P2 96.2(3) . . ?
C52 Rh2 P2 92.9(2) . . ?
C48 Rh2 P2 161.2(3) . . ?
C49 Rh2 P2 161.6(2) . . ?
Cl2 Rh2 P2 91.85(4) . . ?
C19 P2 C44 103.8(2) . . ?
C19 P2 C40 99.34(19) . . ?
C44 P2 C40 105.6(2) . . ?
C19 P2 Rh2 114.69(13) . . ?
C44 P2 Rh2 107.24(17) . . ?
C40 P2 Rh2 124.20(13) . . ?
C20 O2 C1 115.4(3) . . ?
C1 C2 C3 114.3(3) . . ?
C4 C3 C2 109.5(3) . . ?
C4 C3 C10 112.4(3) . . ?
C2 C3 C10 110.1(3) . . ?
C4 C3 C11 107.9(3) . . ?
C2 C3 C11 108.5(3) . . ?
C10 C3 C11 108.3(3) . . ?
C9 C4 C5 118.5(3) . . ?
C9 C4 C3 122.2(3) . . ?
C5 C4 C3 119.1(3) . . ?
C6 C5 C4 121.5(4) . . ?
C7 C6 C5 118.5(3) . . ?
C7 C6 C12 121.2(3) . . ?
C5 C6 C12 120.3(4) . . ?
C6 C7 C8 122.8(3) . . ?
C7 C8 C9 116.5(3) . . ?
C7 C8 P1 122.6(3) . . ?
C9 C8 P1 120.9(2) . . ?
O1 C9 C4 122.3(3) . . ?
O1 C9 C8 116.1(3) . . ?
C4 C9 C8 121.6(3) . . ?
C1 C13 C14 114.5(3) . . ?
C15 C14 C22 112.8(4) . . ?
C15 C14 C13 109.8(3) . . ?
C22 C14 C13 109.7(3) . . ?
C15 C14 C21 108.4(3) . . ?
C22 C14 C21 108.3(4) . . ?
C13 C14 C21 107.8(4) . . ?
C20 C15 C16 117.8(4) . . ?
C20 C15 C14 122.4(4) . . ?
C16 C15 C14 119.6(4) . . ?
C17 C16 C15 122.1(4) . . ?
C16 C17 C18 118.3(4) . . ?
C16 C17 C23 120.5(4) . . ?
C18 C17 C23 121.2(4) . . ?
C17 C18 C19 122.3(4) . . ?
C18 C19 C20 117.1(4) . . ?
C18 C19 P2 122.4(3) . . ?
C20 C19 P2 120.4(3) . . ?
O2 C20 C15 121.9(3) . . ?
O2 C20 C19 116.3(3) . . ?
C15 C20 C19 121.8(3) . . ?
C25 C24 C26 109.8(4) . . ?
C25 C24 P1 117.9(3) . . ?
C26 C24 P1 111.8(3) . . ?
C29 C28 C30 109.5(4) . . ?
C29 C28 P1 111.7(3) . . ?
C30 C28 P1 111.9(3) . . ?
C39 C32 C33 125.8(4) . . ?
C39 C32 Rh1 72.4(2) . . ?
C33 C32 Rh1 109.9(3) . . ?
C32 C33 C34 110.8(3) . . ?
C35 C34 C33 112.2(3) . . ?
C36 C35 C34 125.1(4) . . ?
C36 C35 Rh1 69.8(2) . . ?
C34 C35 Rh1 114.7(3) . . ?
C35 C36 C37 125.3(4) . . ?
C35 C36 Rh1 71.6(2) . . ?
C37 C36 Rh1 110.9(3) . . ?
C36 C37 C38 112.3(4) . . ?
C39 C38 C37 111.4(4) . . ?
C32 C39 C38 124.6(4) . . ?
C32 C39 Rh1 70.5(2) . . ?
C38 C39 Rh1 113.0(3) . . ?
C42 C40 C41 110.5(3) . . ?
C42 C40 P2 117.8(3) . . ?
C41 C40 P2 111.4(3) . . ?
C45 C44 C46 109.9(5) . . ?
C45 C44 P2 112.0(4) . . ?
C46 C44 P2 111.4(3) . . ?
C49 C48 C55 127.1(7) . . ?
C49 C48 Rh2 72.2(3) . . ?
C55 C48 Rh2 107.9(7) . . ?
C48 C49 C50 121.2(7) . . ?
C48 C49 Rh2 70.6(4) . . ?
C50 C49 Rh2 113.5(4) . . ?
C51 C50 C49 110.8(5) . . ?
C50 C51 C52 113.5(5) . . ?
C53 C52 C51 126.2(8) . . ?
C53 C52 Rh2 71.7(4) . . ?
C51 C52 Rh2 110.0(4) . . ?
C52 C53 C54 124.6(6) . . ?
C52 C53 Rh2 72.0(4) . . ?
C54 C53 Rh2 112.8(9) . . ?
C55 C54 C53 115.3(8) . . ?
C54 C55 C48 111.6(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C36 2.118(4) . ?
Rh1 C35 2.141(4) . ?
Rh1 C32 2.200(4) . ?
Rh1 C39 2.225(4) . ?
Rh1 Cl1 2.3589(11) . ?
Rh1 P1 2.3637(10) . ?
P1 C8 1.838(4) . ?
P1 C24 1.868(4) . ?
P1 C28 1.869(4) . ?
C1 O1 1.421(4) . ?
C1 O2 1.431(4) . ?
C1 C2 1.514(5) . ?
C1 C13 1.522(5) . ?
O1 C9 1.390(4) . ?
Rh2 C53 2.123(7) . ?
Rh2 C52 2.126(6) . ?
Rh2 C48 2.179(7) . ?
Rh2 C49 2.199(5) . ?
Rh2 Cl2 2.3594(13) . ?
Rh2 P2 2.3673(11) . ?
P2 C19 1.846(4) . ?
P2 C44 1.856(4) . ?
P2 C40 1.870(4) . ?
O2 C20 1.388(4) . ?
C2 C3 1.540(5) . ?
C3 C4 1.531(5) . ?
C3 C10 1.546(6) . ?
C3 C11 1.549(5) . ?
C4 C9 1.393(5) . ?
C4 C5 1.401(5) . ?
C5 C6 1.386(5) . ?
C6 C7 1.383(6) . ?
C6 C12 1.515(5) . ?
C7 C8 1.410(5) . ?
C8 C9 1.414(5) . ?
C13 C14 1.539(6) . ?
C14 C15 1.522(6) . ?
C14 C22 1.532(7) . ?
C14 C21 1.543(5) . ?
C15 C20 1.398(6) . ?
C15 C16 1.407(6) . ?
C16 C17 1.386(7) . ?
C17 C18 1.395(6) . ?
C17 C23 1.507(6) . ?
C18 C19 1.405(5) . ?
C19 C20 1.415(5) . ?
C24 C25 1.526(6) . ?
C24 C26 1.538(6) . ?
C28 C29 1.520(7) . ?
C28 C30 1.538(7) . ?
C32 C39 1.411(6) . ?
C32 C33 1.500(6) . ?
C33 C34 1.595(7) . ?
C34 C35 1.503(6) . ?
C35 C36 1.408(6) . ?
C36 C37 1.514(6) . ?
C37 C38 1.534(7) . ?
C38 C39 1.479(6) . ?
C40 C42 1.533(6) . ?
C40 C41 1.538(6) . ?
C44 C45 1.522(8) . ?
C44 C46 1.534(8) . ?
C48 C49 1.396(11) . ?
C48 C55 1.528(16) . ?
C49 C50 1.508(7) . ?
C50 C51 1.479(9) . ?
C51 C52 1.529(9) . ?
C52 C53 1.325(13) . ?
C53 C54 1.493(17) . ?
C54 C55 1.44(2) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C36 Rh1 P1 C8 -39.38(17) . . . . ?
C35 Rh1 P1 C8 -0.82(16) . . . . ?
C32 Rh1 P1 C8 82.1(4) . . . . ?
C39 Rh1 P1 C8 -105.2(4) . . . . ?
Cl1 Rh1 P1 C8 167.19(12) . . . . ?
C36 Rh1 P1 C24 -159.1(2) . . . . ?
C35 Rh1 P1 C24 -120.5(2) . . . . ?
C32 Rh1 P1 C24 -37.6(4) . . . . ?
C39 Rh1 P1 C24 135.1(4) . . . . ?
Cl1 Rh1 P1 C24 47.51(19) . . . . ?
C36 Rh1 P1 C28 76.74(18) . . . . ?
C35 Rh1 P1 C28 115.30(18) . . . . ?
C32 Rh1 P1 C28 -161.8(4) . . . . ?
C39 Rh1 P1 C28 10.9(4) . . . . ?
Cl1 Rh1 P1 C28 -76.69(15) . . . . ?
O2 C1 O1 C9 67.1(3) . . . . ?
C2 C1 O1 C9 -51.7(4) . . . . ?
C13 C1 O1 C9 -173.5(3) . . . . ?
C53 Rh2 P2 C19 0.6(3) . . . . ?
C52 Rh2 P2 C19 -35.7(3) . . . . ?
C48 Rh2 P2 C19 77.5(9) . . . . ?
C49 Rh2 P2 C19 -100.2(5) . . . . ?
Cl2 Rh2 P2 C19 167.98(13) . . . . ?
C53 Rh2 P2 C44 115.3(3) . . . . ?
C52 Rh2 P2 C44 79.0(3) . . . . ?
C48 Rh2 P2 C44 -167.8(9) . . . . ?
C49 Rh2 P2 C44 14.5(5) . . . . ?
Cl2 Rh2 P2 C44 -77.34(17) . . . . ?
C53 Rh2 P2 C40 -121.3(3) . . . . ?
C52 Rh2 P2 C40 -157.6(3) . . . . ?
C48 Rh2 P2 C40 -44.4(9) . . . . ?
C49 Rh2 P2 C40 137.9(5) . . . . ?
Cl2 Rh2 P2 C40 46.09(17) . . . . ?
O1 C1 O2 C20 66.2(3) . . . . ?
C2 C1 O2 C20 -173.5(3) . . . . ?
C13 C1 O2 C20 -52.2(4) . . . . ?
O1 C1 C2 C3 58.2(4) . . . . ?
O2 C1 C2 C3 -61.2(4) . . . . ?
C13 C1 C2 C3 178.4(3) . . . . ?
C1 C2 C3 C4 -29.8(4) . . . . ?
C1 C2 C3 C10 94.3(4) . . . . ?
C1 C2 C3 C11 -147.4(3) . . . . ?
C2 C3 C4 C9 -2.8(4) . . . . ?
C10 C3 C4 C9 -125.5(4) . . . . ?
C11 C3 C4 C9 115.1(4) . . . . ?
C2 C3 C4 C5 -178.9(3) . . . . ?
C10 C3 C4 C5 58.3(4) . . . . ?
C11 C3 C4 C5 -61.0(4) . . . . ?
C9 C4 C5 C6 -2.6(5) . . . . ?
C3 C4 C5 C6 173.7(3) . . . . ?
C4 C5 C6 C7 -3.7(5) . . . . ?
C4 C5 C6 C12 177.1(3) . . . . ?
C5 C6 C7 C8 4.1(6) . . . . ?
C12 C6 C7 C8 -176.7(4) . . . . ?
C6 C7 C8 C9 1.6(5) . . . . ?
C6 C7 C8 P1 -176.5(3) . . . . ?
C24 P1 C8 C7 -106.5(3) . . . . ?
C28 P1 C8 C7 1.7(3) . . . . ?
Rh1 P1 C8 C7 121.0(3) . . . . ?
C24 P1 C8 C9 75.4(3) . . . . ?
C28 P1 C8 C9 -176.4(3) . . . . ?
Rh1 P1 C8 C9 -57.1(3) . . . . ?
C1 O1 C9 C4 19.2(4) . . . . ?
C1 O1 C9 C8 -163.6(3) . . . . ?
C5 C4 C9 O1 -174.3(3) . . . . ?
C3 C4 C9 O1 9.6(5) . . . . ?
C5 C4 C9 C8 8.7(5) . . . . ?
C3 C4 C9 C8 -167.5(3) . . . . ?
C7 C8 C9 O1 174.7(3) . . . . ?
P1 C8 C9 O1 -7.2(4) . . . . ?
C7 C8 C9 C4 -8.1(5) . . . . ?
P1 C8 C9 C4 170.1(3) . . . . ?
O1 C1 C13 C14 -61.1(4) . . . . ?
O2 C1 C13 C14 57.7(4) . . . . ?
C2 C1 C13 C14 177.3(3) . . . . ?
C1 C13 C14 C15 -29.1(5) . . . . ?
C1 C13 C14 C22 95.3(4) . . . . ?
C1 C13 C14 C21 -147.0(4) . . . . ?
C22 C14 C15 C20 -126.5(4) . . . . ?
C13 C14 C15 C20 -3.9(5) . . . . ?
C21 C14 C15 C20 113.6(4) . . . . ?
C22 C14 C15 C16 57.2(5) . . . . ?
C13 C14 C15 C16 179.8(4) . . . . ?
C21 C14 C15 C16 -62.7(5) . . . . ?
C20 C15 C16 C17 -0.7(7) . . . . ?
C14 C15 C16 C17 175.7(4) . . . . ?
C15 C16 C17 C18 -5.0(7) . . . . ?
C15 C16 C17 C23 175.0(5) . . . . ?
C16 C17 C18 C19 4.1(7) . . . . ?
C23 C17 C18 C19 -175.8(5) . . . . ?
C17 C18 C19 C20 2.3(6) . . . . ?
C17 C18 C19 P2 -173.9(4) . . . . ?
C44 P2 C19 C18 3.3(4) . . . . ?
C40 P2 C19 C18 -105.4(4) . . . . ?
Rh2 P2 C19 C18 120.0(3) . . . . ?
C44 P2 C19 C20 -172.7(3) . . . . ?
C40 P2 C19 C20 78.5(3) . . . . ?
Rh2 P2 C19 C20 -56.1(3) . . . . ?
C1 O2 C20 C15 20.0(5) . . . . ?
C1 O2 C20 C19 -161.3(3) . . . . ?
C16 C15 C20 O2 -173.7(4) . . . . ?
C14 C15 C20 O2 9.9(6) . . . . ?
C16 C15 C20 C19 7.6(6) . . . . ?
C14 C15 C20 C19 -168.8(4) . . . . ?
C18 C19 C20 O2 172.9(4) . . . . ?
P2 C19 C20 O2 -10.8(5) . . . . ?
C18 C19 C20 C15 -8.3(6) . . . . ?
P2 C19 C20 C15 168.0(3) . . . . ?
C8 P1 C24 C25 -167.3(4) . . . . ?
C28 P1 C24 C25 85.2(4) . . . . ?
Rh1 P1 C24 C25 -41.0(4) . . . . ?
C8 P1 C24 C26 63.9(4) . . . . ?
C28 P1 C24 C26 -43.6(4) . . . . ?
Rh1 P1 C24 C26 -169.8(3) . . . . ?
C8 P1 C28 C29 74.4(4) . . . . ?
C24 P1 C28 C29 178.2(3) . . . . ?
Rh1 P1 C28 C29 -47.6(4) . . . . ?
C8 P1 C28 C30 -162.4(3) . . . . ?
C24 P1 C28 C30 -58.6(4) . . . . ?
Rh1 P1 C28 C30 75.6(4) . . . . ?
C36 Rh1 C32 C39 -62.7(3) . . . . ?
C35 Rh1 C32 C39 -97.8(3) . . . . ?
Cl1 Rh1 C32 C39 90.7(3) . . . . ?
P1 Rh1 C32 C39 176.3(3) . . . . ?
C36 Rh1 C32 C33 59.8(3) . . . . ?
C35 Rh1 C32 C33 24.7(3) . . . . ?
C39 Rh1 C32 C33 122.5(4) . . . . ?
Cl1 Rh1 C32 C33 -146.8(3) . . . . ?
P1 Rh1 C32 C33 -61.1(5) . . . . ?
C39 C32 C33 C34 44.7(6) . . . . ?
Rh1 C32 C33 C34 -37.4(4) . . . . ?
C32 C33 C34 C35 32.8(5) . . . . ?
C33 C34 C35 C36 -93.7(5) . . . . ?
C33 C34 C35 Rh1 -11.8(4) . . . . ?
C32 Rh1 C35 C36 113.8(3) . . . . ?
C39 Rh1 C35 C36 76.9(3) . . . . ?
Cl1 Rh1 C35 C36 150.1(4) . . . . ?
P1 Rh1 C35 C36 -85.9(2) . . . . ?
C36 Rh1 C35 C34 -120.3(4) . . . . ?
C32 Rh1 C35 C34 -6.6(3) . . . . ?
C39 Rh1 C35 C34 -43.4(3) . . . . ?
Cl1 Rh1 C35 C34 29.8(7) . . . . ?
P1 Rh1 C35 C34 153.8(3) . . . . ?
C34 C35 C36 C37 3.7(7) . . . . ?
Rh1 C35 C36 C37 -102.9(4) . . . . ?
C34 C35 C36 Rh1 106.6(4) . . . . ?
C32 Rh1 C36 C35 -65.4(3) . . . . ?
C39 Rh1 C36 C35 -98.5(3) . . . . ?
Cl1 Rh1 C36 C35 -163.9(2) . . . . ?
P1 Rh1 C36 C35 97.9(2) . . . . ?
C35 Rh1 C36 C37 121.7(4) . . . . ?
C32 Rh1 C36 C37 56.2(3) . . . . ?
C39 Rh1 C36 C37 23.1(3) . . . . ?
Cl1 Rh1 C36 C37 -42.3(5) . . . . ?
P1 Rh1 C36 C37 -140.4(3) . . . . ?
C35 C36 C37 C38 42.4(6) . . . . ?
Rh1 C36 C37 C38 -39.3(5) . . . . ?
C36 C37 C38 C39 35.9(5) . . . . ?
C33 C32 C39 C38 2.8(7) . . . . ?
Rh1 C32 C39 C38 105.0(4) . . . . ?
C33 C32 C39 Rh1 -102.2(4) . . . . ?
C37 C38 C39 C32 -97.2(5) . . . . ?
C37 C38 C39 Rh1 -15.7(5) . . . . ?
C36 Rh1 C39 C32 116.2(3) . . . . ?
C35 Rh1 C39 C32 78.1(3) . . . . ?
Cl1 Rh1 C39 C32 -88.0(2) . . . . ?
P1 Rh1 C39 C32 -176.0(3) . . . . ?
C36 Rh1 C39 C38 -4.0(3) . . . . ?
C35 Rh1 C39 C38 -42.2(3) . . . . ?
C32 Rh1 C39 C38 -120.3(4) . . . . ?
Cl1 Rh1 C39 C38 151.7(3) . . . . ?
P1 Rh1 C39 C38 63.7(6) . . . . ?
C19 P2 C40 C42 -167.2(3) . . . . ?
C44 P2 C40 C42 85.6(3) . . . . ?
Rh2 P2 C40 C42 -38.6(4) . . . . ?
C19 P2 C40 C41 63.7(4) . . . . ?
C44 P2 C40 C41 -43.6(4) . . . . ?
Rh2 P2 C40 C41 -167.8(3) . . . . ?
C19 P2 C44 C45 72.8(4) . . . . ?
C40 P2 C44 C45 176.8(4) . . . . ?
Rh2 P2 C44 C45 -48.9(4) . . . . ?
C19 P2 C44 C46 -163.6(4) . . . . ?
C40 P2 C44 C46 -59.6(5) . . . . ?
Rh2 P2 C44 C46 74.6(4) . . . . ?
C53 Rh2 C48 C49 -99.2(5) . . . . ?
C52 Rh2 C48 C49 -65.8(5) . . . . ?
Cl2 Rh2 C48 C49 90.2(4) . . . . ?
P2 Rh2 C48 C49 -178.8(5) . . . . ?
C53 Rh2 C48 C55 24.9(5) . . . . ?
C52 Rh2 C48 C55 58.4(5) . . . . ?
C49 Rh2 C48 C55 124.2(6) . . . . ?
Cl2 Rh2 C48 C55 -145.7(4) . . . . ?
P2 Rh2 C48 C55 -54.6(10) . . . . ?
C55 C48 C49 C50 7.0(12) . . . . ?
Rh2 C48 C49 C50 106.4(5) . . . . ?
C55 C48 C49 Rh2 -99.3(9) . . . . ?
C53 Rh2 C49 C48 76.6(6) . . . . ?
C52 Rh2 C49 C48 112.3(6) . . . . ?
Cl2 Rh2 C49 C48 -88.9(5) . . . . ?
P2 Rh2 C49 C48 178.8(5) . . . . ?
C53 Rh2 C49 C50 -39.9(6) . . . . ?
C52 Rh2 C49 C50 -4.2(5) . . . . ?
C48 Rh2 C49 C50 -116.5(8) . . . . ?
Cl2 Rh2 C49 C50 154.6(5) . . . . ?
P2 Rh2 C49 C50 62.3(8) . . . . ?
C48 C49 C50 C51 -96.6(8) . . . . ?
Rh2 C49 C50 C51 -15.8(7) . . . . ?
C49 C50 C51 C52 36.0(9) . . . . ?
C50 C51 C52 C53 42.0(10) . . . . ?
C50 C51 C52 Rh2 -39.5(8) . . . . ?
C48 Rh2 C52 C53 -66.2(6) . . . . ?
C49 Rh2 C52 C53 -100.3(5) . . . . ?
Cl2 Rh2 C52 C53 -162.5(5) . . . . ?
P2 Rh2 C52 C53 96.5(5) . . . . ?
C53 Rh2 C52 C51 122.8(9) . . . . ?
C48 Rh2 C52 C51 56.6(7) . . . . ?
C49 Rh2 C52 C51 22.5(6) . . . . ?
Cl2 Rh2 C52 C51 -39.7(10) . . . . ?
P2 Rh2 C52 C51 -140.7(6) . . . . ?
C51 C52 C53 C54 3.9(15) . . . . ?
Rh2 C52 C53 C54 105.8(12) . . . . ?
C51 C52 C53 Rh2 -101.8(7) . . . . ?
C48 Rh2 C53 C52 112.1(5) . . . . ?
C49 Rh2 C53 C52 75.5(5) . . . . ?
Cl2 Rh2 C53 C52 151.5(6) . . . . ?
P2 Rh2 C53 C52 -86.5(5) . . . . ?
C52 Rh2 C53 C54 -120.7(7) . . . . ?
C48 Rh2 C53 C54 -8.6(6) . . . . ?
C49 Rh2 C53 C54 -45.2(6) . . . . ?
Cl2 Rh2 C53 C54 30.8(10) . . . . ?
P2 Rh2 C53 C54 152.8(5) . . . . ?
C52 C53 C54 C55 -94.3(12) . . . . ?
Rh2 C53 C54 C55 -11.1(10) . . . . ?
C53 C54 C55 C48 33.3(11) . . . . ?
C49 C48 C55 C54 42.5(12) . . . . ?
Rh2 C48 C55 C54 -38.4(8) . . . . ?
