#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/56/2205606.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_2205606
loop_
_publ_author_name
'Meijboom, Reinout'
'Muller, Alfred'
'Roodt, Andreas'
_publ_section_title
;
 trans-Carbonylchlorobis(tri-m-tolylphosphino)rhodium(I)
 dichloromethane solvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m699
_journal_page_last               m701
_journal_paper_doi               10.1107/S1600536805005738
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Rh Cl (C21 H21 P)2 (C O)], C H2 Cl2'
_chemical_formula_moiety         'C43 H42 Cl1 O P2 Rh, C1 H2 Cl2'
_chemical_formula_sum            'C44 H44 Cl3 O P2 Rh'
_chemical_formula_weight         859.99
_chemical_name_systematic
;
trans-Carbonylchlorobis(tri-m-tolylphosphino)rhodium(I) dichloromethane
solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                100.87(3)
_cell_angle_beta                 100.71(3)
_cell_angle_gamma                108.14(3)
_cell_formula_units_Z            2
_cell_length_a                   10.061(2)
_cell_length_b                   11.763(2)
_cell_length_c                   19.337(4)
_cell_measurement_reflns_used    814
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.57
_cell_measurement_theta_min      2.55
_cell_volume                     2061.1(9)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 1999)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART CCD 1K'
_diffrn_measurement_method       ω
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13219
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         1.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.719
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Bruker, 1998)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangle
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         8864
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0525P)²+1.6693P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1509
_reflns_number_gt                5105
_reflns_number_total             8864
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wk6036.cif
_cod_data_source_block           I
_cod_original_cell_volume        2061.0(9)
_cod_database_code               2205606
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Rh 0.26170(5) 0.20464(4) 0.72527(2) 0.02874(14) Uani d . 1 . . Rh
P1 0.26797(16) 0.31120(13) 0.63555(7) 0.0317(3) Uani d . 1 . . P
P2 0.25787(16) 0.10801(13) 0.81974(7) 0.0311(3) Uani d . 1 . . P
C 0.2755(7) 0.0761(6) 0.6644(3) 0.0421(15) Uani d . 1 . . C
O 0.2763(6) -0.0096(4) 0.6241(3) 0.0698(15) Uani d . 1 . . O
Cl1 0.21963(17) 0.36651(13) 0.80029(7) 0.0415(4) Uani d . 1 . . Cl
C11 0.2607(6) 0.2221(5) 0.5456(3) 0.0357(13) Uani d . 1 . . C
C12 0.3839(7) 0.2075(6) 0.5296(3) 0.0422(15) Uani d . 1 . . C
H12 0.4722 0.2488 0.5645 0.051 Uiso calc R 1 . . H
C13 0.3818(7) 0.1344(6) 0.4642(3) 0.0474(16) Uani d . 1 . . C
C14 0.2499(8) 0.0717(6) 0.4144(3) 0.0566(18) Uani d . 1 . . C
H14 0.2455 0.0219 0.3699 0.068 Uiso calc R 1 . . H
C15 0.1241(7) 0.0807(6) 0.4286(3) 0.0542(18) Uani d . 1 . . C
H15 0.0356 0.0355 0.3945 0.065 Uiso calc R 1 . . H
C16 0.1295(7) 0.1570(6) 0.4938(3) 0.0438(15) Uani d . 1 . . C
H16 0.0447 0.1647 0.5029 0.053 Uiso calc R 1 . . H
C17 0.5195(9) 0.1249(8) 0.4472(4) 0.089(3) Uani d . 1 . . C
H17A 0.5728 0.104 0.4863 0.133 Uiso calc R 1 . . H
H17B 0.5778 0.203 0.4418 0.133 Uiso calc R 1 . . H
H17C 0.4954 0.0616 0.4027 0.133 Uiso calc R 1 . . H
C21 0.1188(6) 0.3677(6) 0.6195(3) 0.0372(14) Uani d . 1 . . C
C22 0.1344(7) 0.4845(6) 0.6097(3) 0.0463(16) Uani d . 1 . . C
H22 0.2256 0.5374 0.6104 0.056 Uiso calc R 1 . . H
C23 0.0182(10) 0.5252(8) 0.5988(3) 0.066(2) Uani d . 1 . . C
C24 -0.1150(10) 0.4444(9) 0.5965(4) 0.080(3) Uani d . 1 . . C
H24 -0.1941 0.4697 0.5887 0.096 Uiso calc R 1 . . H
C25 -0.1367(8) 0.3277(8) 0.6052(4) 0.071(2) Uani d . 1 . . C
H25 -0.2291 0.2747 0.6025 0.085 Uiso calc R 1 . . H
C26 -0.0186(7) 0.2893(7) 0.6183(3) 0.0535(17) Uani d . 1 . . C
H26 -0.0313 0.2115 0.6262 0.064 Uiso calc R 1 . . H
C27 0.0409(10) 0.6552(8) 0.5920(4) 0.089(3) Uani d . 1 . . C
H27A 0.1266 0.6856 0.5757 0.133 Uiso calc R 1 . . H
H27B 0.052 0.7082 0.6387 0.133 Uiso calc R 1 . . H
H27C -0.0413 0.6546 0.5574 0.133 Uiso calc R 1 . . H
C31 0.4310(6) 0.4491(5) 0.6561(3) 0.0341(13) Uani d . 1 . . C
C32 0.5101(6) 0.5047(5) 0.7280(3) 0.0385(14) Uani d . 1 . . C
H32 0.4813 0.4686 0.7642 0.046 Uiso calc R 1 . . H
C33 0.6308(7) 0.6124(6) 0.7476(3) 0.0463(15) Uani d . 1 . . C
C34 0.6753(7) 0.6645(6) 0.6934(4) 0.0542(17) Uani d . 1 . . C
H34 0.7566 0.7366 0.7057 0.065 Uiso calc R 1 . . H
C35 0.6002(8) 0.6104(6) 0.6221(4) 0.0550(18) Uani d . 1 . . C
H35 0.6319 0.6454 0.5861 0.066 Uiso calc R 1 . . H
C36 0.4771(7) 0.5036(6) 0.6024(3) 0.0485(16) Uani d . 1 . . C
H36 0.4256 0.4686 0.5537 0.058 Uiso calc R 1 . . H
C37 0.7120(8) 0.6734(7) 0.8274(3) 0.071(2) Uani d . 1 . . C
H37A 0.6442 0.6797 0.8556 0.107 Uiso calc R 1 . . H
H37B 0.7791 0.7547 0.8322 0.107 Uiso calc R 1 . . H
H37C 0.764 0.6241 0.8449 0.107 Uiso calc R 1 . . H
C41 0.2706(6) -0.0471(5) 0.8020(3) 0.0345(13) Uani d . 1 . . C
C42 0.1661(6) -0.1507(5) 0.8071(3) 0.0366(13) Uani d . 1 . . C
H42 0.0841 -0.1434 0.8201 0.044 Uiso calc R 1 . . H
C43 0.1803(7) -0.2671(5) 0.7930(3) 0.0402(14) Uani d . 1 . . C
C44 0.3018(7) -0.2763(6) 0.7747(3) 0.0436(15) Uani d . 1 . . C
H44 0.3131 -0.3528 0.7654 0.052 Uiso calc R 1 . . H
C45 0.4088(7) -0.1719(6) 0.7698(3) 0.0527(17) Uani d . 1 . . C
H45 0.4922 -0.1786 0.7581 0.063 Uiso calc R 1 . . H
C46 0.3917(7) -0.0588(6) 0.7822(3) 0.0480(16) Uani d . 1 . . C
H46 0.4621 0.0101 0.7773 0.058 Uiso calc R 1 . . H
C47 0.0628(7) -0.3786(6) 0.7979(4) 0.0587(18) Uani d . 1 . . C
H47A -0.0252 -0.3934 0.7622 0.088 Uiso calc R 1 . . H
H47B 0.0473 -0.3641 0.8458 0.088 Uiso calc R 1 . . H
H47C 0.091 -0.4497 0.7888 0.088 Uiso calc R 1 . . H
C51 0.0875(6) 0.0859(5) 0.8458(3) 0.0343(13) Uani d . 1 . . C
C52 0.0792(7) 0.1327(6) 0.9149(3) 0.0427(15) Uani d . 1 . . C
H52 0.1644 0.1774 0.9514 0.051 Uiso calc R 1 . . H
C53 -0.0525(8) 0.1151(6) 0.9316(3) 0.0534(17) Uani d . 1 . . C
C54 -0.1772(7) 0.0510(7) 0.8771(4) 0.0580(18) Uani d . 1 . . C
H54 -0.2665 0.0399 0.8872 0.07 Uiso calc R 1 . . H
C55 -0.1721(7) 0.0031(7) 0.8079(4) 0.0595(19) Uani d . 1 . . C
H55 -0.2579 -0.0419 0.7718 0.071 Uiso calc R 1 . . H
C56 -0.0408(7) 0.0209(6) 0.7910(3) 0.0470(16) Uani d . 1 . . C
H56 -0.038 -0.0101 0.7436 0.056 Uiso calc R 1 . . H
C57 -0.0563(9) 0.1705(9) 1.0086(4) 0.093(3) Uani d . 1 . . C
H57A -0.0386 0.2575 1.0156 0.14 Uiso calc R 1 . . H
H57B 0.0171 0.1593 1.0432 0.14 Uiso calc R 1 . . H
H57C -0.1497 0.1298 1.0155 0.14 Uiso calc R 1 . . H
C61 0.4005(6) 0.1886(5) 0.9046(3) 0.0361(13) Uani d . 1 . . C
C62 0.4921(6) 0.3099(5) 0.9164(3) 0.0401(14) Uani d . 1 . . C
H62 0.4824 0.3497 0.8795 0.048 Uiso calc R 1 . . H
C63 0.5989(7) 0.3746(6) 0.9819(3) 0.0482(16) Uani d . 1 . . C
C64 0.6101(8) 0.3128(7) 1.0354(3) 0.0587(19) Uani d . 1 . . C
H64 0.6786 0.3543 1.0799 0.07 Uiso calc R 1 . . H
C65 0.5227(9) 0.1913(8) 1.0247(4) 0.070(2) Uani d . 1 . . C
H65 0.5344 0.1515 1.0614 0.083 Uiso calc R 1 . . H
C66 0.4173(7) 0.1279(6) 0.9596(3) 0.0501(16) Uani d . 1 . . C
H66 0.3582 0.0459 0.9526 0.06 Uiso calc R 1 . . H
C67 0.6948(8) 0.5057(6) 0.9941(4) 0.071(2) Uani d . 1 . . C
H67A 0.7278 0.5457 1.0454 0.107 Uiso calc R 1 . . H
H67B 0.6417 0.5484 0.9697 0.107 Uiso calc R 1 . . H
H67C 0.7767 0.5076 0.9749 0.107 Uiso calc R 1 . . H
C1A 0.836(2) 0.307(2) 0.7749(11) 0.064(6) Uiso d P 0.426(11) A 1 C
H1A1 0.9057 0.2664 0.7796 0.077 Uiso calc PR 0.426(11) A 1 H
H1A2 0.8688 0.3719 0.7507 0.077 Uiso calc PR 0.426(11) A 1 H
Cl2A 0.8275(11) 0.3715(7) 0.8576(5) 0.110(3) Uiso d P 0.426(11) A 1 Cl
Cl3A 0.6616(7) 0.1950(8) 0.7187(5) 0.104(3) Uiso d P 0.426(11) A 1 Cl
C1B 0.862(2) 0.300(2) 0.8000(11) 0.104(7) Uiso d P 0.574(11) A 2 C
H1B1 0.8865 0.2272 0.801 0.125 Uiso calc PR 0.574(11) A 2 H
H1B2 0.9188 0.3473 0.7727 0.125 Uiso calc PR 0.574(11) A 2 H
Cl2B 0.8990(8) 0.3896(5) 0.8876(4) 0.110(2) Uiso d P 0.574(11) A 2 Cl
Cl3B 0.6654(6) 0.2538(7) 0.7557(4) 0.126(2) Uiso d P 0.574(11) A 2 Cl
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
_geom_angle_publ_flag
C Rh P1 90.40(18) y
C Rh P2 92.62(18) y
P1 Rh P2 176.88(6) y
C Rh Cl1 174.6(2) y
P1 Rh Cl1 88.98(5) ?
P2 Rh Cl1 88.08(5) ?
C21 P1 C31 104.6(3) ?
C21 P1 C11 104.8(2) ?
C31 P1 C11 103.7(3) ?
C21 P1 Rh 113.12(19) ?
C31 P1 Rh 114.15(18) ?
C11 P1 Rh 115.27(18) ?
C61 P2 C51 105.2(2) ?
C61 P2 C41 101.2(2) ?
C51 P2 C41 104.5(3) ?
C61 P2 Rh 117.1(2) ?
C51 P2 Rh 109.98(17) ?
C41 P2 Rh 117.47(18) ?
O C Rh 176.3(6) y
C12 C11 C16 117.7(5) ?
C12 C11 P1 121.1(4) ?
C16 C11 P1 120.9(4) ?
C13 C12 C11 123.0(6) ?
C13 C12 H12 118.5 ?
C11 C12 H12 118.5 ?
C14 C13 C12 117.4(6) ?
C14 C13 C17 120.9(6) ?
C12 C13 C17 121.7(6) ?
C13 C14 C15 121.7(6) ?
C13 C14 H14 119.2 ?
C15 C14 H14 119.2 ?
C14 C15 C16 119.8(6) ?
C14 C15 H15 120.1 ?
C16 C15 H15 120.1 ?
C15 C16 C11 120.3(6) ?
C15 C16 H16 119.8 ?
C11 C16 H16 119.8 ?
C13 C17 H17A 109.5 ?
C13 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
C13 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
C22 C21 C26 118.3(6) ?
C22 C21 P1 123.8(5) ?
C26 C21 P1 117.8(5) ?
C21 C22 C23 122.2(7) ?
C21 C22 H22 118.9 ?
C23 C22 H22 118.9 ?
C24 C23 C22 117.5(7) ?
C24 C23 C27 121.9(7) ?
C22 C23 C27 120.6(8) ?
C23 C24 C25 122.7(7) ?
C23 C24 H24 118.6 ?
C25 C24 H24 118.6 ?
C24 C25 C26 119.3(8) ?
C24 C25 H25 120.4 ?
C26 C25 H25 120.4 ?
C25 C26 C21 120.0(7) ?
C25 C26 H26 120 ?
C21 C26 H26 120 ?
C23 C27 H27A 109.5 ?
C23 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C23 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
C32 C31 C36 118.3(6) ?
C32 C31 P1 119.0(4) ?
C36 C31 P1 122.7(5) ?
C33 C32 C31 121.9(5) ?
C33 C32 H32 119.1 ?
C31 C32 H32 119.1 ?
C32 C33 C34 118.9(6) ?
C32 C33 C37 120.4(6) ?
C34 C33 C37 120.7(6) ?
C35 C34 C33 120.2(6) ?
C35 C34 H34 119.9 ?
C33 C34 H34 119.9 ?
C34 C35 C36 121.0(6) ?
C34 C35 H35 119.5 ?
C36 C35 H35 119.5 ?
C35 C36 C31 119.7(6) ?
C35 C36 H36 120.1 ?
C31 C36 H36 120.1 ?
C33 C37 H37A 109.5 ?
C33 C37 H37B 109.5 ?
H37A C37 H37B 109.5 ?
C33 C37 H37C 109.5 ?
H37A C37 H37C 109.5 ?
H37B C37 H37C 109.5 ?
C42 C41 C46 118.9(5) ?
C42 C41 P2 123.4(4) ?
C46 C41 P2 117.7(4) ?
C41 C42 C43 121.4(5) ?
C41 C42 H42 119.3 ?
C43 C42 H42 119.3 ?
C44 C43 C42 118.8(6) ?
C44 C43 C47 121.3(5) ?
C42 C43 C47 119.9(5) ?
C43 C44 C45 120.4(5) ?
C43 C44 H44 119.8 ?
C45 C44 H44 119.8 ?
C46 C45 C44 120.1(6) ?
C46 C45 H45 119.9 ?
C44 C45 H45 119.9 ?
C45 C46 C41 120.4(6) ?
C45 C46 H46 119.8 ?
C41 C46 H46 119.8 ?
C43 C47 H47A 109.5 ?
C43 C47 H47B 109.5 ?
H47A C47 H47B 109.5 ?
C43 C47 H47C 109.5 ?
H47A C47 H47C 109.5 ?
H47B C47 H47C 109.5 ?
C52 C51 C56 118.7(5) ?
C52 C51 P2 124.0(4) ?
C56 C51 P2 117.2(4) ?
C51 C52 C53 121.9(6) ?
C51 C52 H52 119.1 ?
C53 C52 H52 119.1 ?
C54 C53 C52 118.5(6) ?
C54 C53 C57 121.5(6) ?
C52 C53 C57 120.0(6) ?
C55 C54 C53 120.8(6) ?
C55 C54 H54 119.6 ?
C53 C54 H54 119.6 ?
C54 C55 C56 120.7(6) ?
C54 C55 H55 119.6 ?
C56 C55 H55 119.6 ?
C55 C56 C51 119.3(6) ?
C55 C56 H56 120.3 ?
C51 C56 H56 120.3 ?
C53 C57 H57A 109.5 ?
C53 C57 H57B 109.5 ?
H57A C57 H57B 109.5 ?
C53 C57 H57C 109.5 ?
H57A C57 H57C 109.5 ?
H57B C57 H57C 109.5 ?
C62 C61 C66 118.8(5) ?
C62 C61 P2 121.3(4) ?
C66 C61 P2 119.9(5) ?
C61 C62 C63 122.2(6) ?
C61 C62 H62 118.9 ?
C63 C62 H62 118.9 ?
C64 C63 C62 117.4(6) ?
C64 C63 C67 121.2(6) ?
C62 C63 C67 121.4(6) ?
C65 C64 C63 121.7(6) ?
C65 C64 H64 119.1 ?
C63 C64 H64 119.1 ?
C64 C65 C66 120.5(6) ?
C64 C65 H65 119.8 ?
C66 C65 H65 119.8 ?
C65 C66 C61 119.3(6) ?
C65 C66 H66 120.3 ?
C61 C66 H66 120.3 ?
C63 C67 H67A 109.5 ?
C63 C67 H67B 109.5 ?
H67A C67 H67B 109.5 ?
C63 C67 H67C 109.5 ?
H67A C67 H67C 109.5 ?
H67B C67 H67C 109.5 ?
Cl2A C1A Cl3A 112.5(12) ?
Cl2A C1A H1A1 109.1 ?
Cl3A C1A H1A1 109.1 ?
Cl2A C1A H1A2 109.1 ?
Cl3A C1A H1A2 109.1 ?
H1A1 C1A H1A2 107.8 ?
Cl2B C1B Cl3B 108.8(11) ?
Cl2B C1B H1B1 109.9 ?
Cl3B C1B H1B1 109.9 ?
Cl2B C1B H1B2 109.9 ?
Cl3B C1B H1B2 109.9 ?
H1B1 C1B H1B2 108.3 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh C 1.792(6) y
Rh P1 2.3231(16) y
Rh P2 2.3266(16) y
Rh Cl1 2.3659(15) y
P1 C21 1.821(6) ?
P1 C31 1.827(6) ?
P1 C11 1.829(5) ?
P2 C61 1.828(6) ?
P2 C51 1.831(6) ?
P2 C41 1.841(5) ?
C O 1.156(6) y
C11 C12 1.385(7) ?
C11 C16 1.386(8) ?
C12 C13 1.380(7) ?
C12 H12 0.93 ?
C13 C14 1.371(9) ?
C13 C17 1.514(9) ?
C14 C15 1.374(8) ?
C14 H14 0.93 ?
C15 C16 1.385(7) ?
C15 H15 0.93 ?
C16 H16 0.93 ?
C17 H17A 0.96 ?
C17 H17B 0.96 ?
C17 H17C 0.96 ?
C21 C22 1.387(8) ?
C21 C26 1.395(8) ?
C22 C23 1.392(9) ?
C22 H22 0.93 ?
C23 C24 1.368(11) ?
C23 C27 1.509(10) ?
C24 C25 1.369(11) ?
C24 H24 0.93 ?
C25 C26 1.395(9) ?
C25 H25 0.93 ?
C26 H26 0.93 ?
C27 H27A 0.96 ?
C27 H27B 0.96 ?
C27 H27C 0.96 ?
C31 C32 1.385(7) ?
C31 C36 1.395(7) ?
C32 C33 1.383(8) ?
C32 H32 0.93 ?
C33 C34 1.386(8) ?
C33 C37 1.521(8) ?
C34 C35 1.363(9) ?
C34 H34 0.93 ?
C35 C36 1.391(9) ?
C35 H35 0.93 ?
C36 H36 0.93 ?
C37 H37A 0.96 ?
C37 H37B 0.96 ?
C37 H37C 0.96 ?
C41 C42 1.373(8) ?
C41 C46 1.381(8) ?
C42 C43 1.403(7) ?
C42 H42 0.93 ?
C43 C44 1.363(8) ?
C43 C47 1.500(8) ?
C44 C45 1.391(9) ?
C44 H44 0.93 ?
C45 C46 1.377(8) ?
C45 H45 0.93 ?
C46 H46 0.93 ?
C47 H47A 0.96 ?
C47 H47B 0.96 ?
C47 H47C 0.96 ?
C51 C52 1.373(7) ?
C51 C56 1.395(8) ?
C52 C53 1.384(8) ?
C52 H52 0.93 ?
C53 C54 1.369(9) ?
C53 C57 1.520(8) ?
C54 C55 1.367(8) ?
C54 H54 0.93 ?
C55 C56 1.382(8) ?
C55 H55 0.93 ?
C56 H56 0.93 ?
C57 H57A 0.96 ?
C57 H57B 0.96 ?
C57 H57C 0.96 ?
C61 C62 1.384(8) ?
C61 C66 1.402(8) ?
C62 C63 1.399(8) ?
C62 H62 0.93 ?
C63 C64 1.380(9) ?
C63 C67 1.489(9) ?
C64 C65 1.378(10) ?
C64 H64 0.93 ?
C65 C66 1.386(9) ?
C65 H65 0.93 ?
C66 H66 0.93 ?
C67 H67A 0.96 ?
C67 H67B 0.96 ?
C67 H67C 0.96 ?
C1A Cl2A 1.66(2) ?
C1A Cl3A 1.82(2) ?
C1A H1A1 0.97 ?
C1A H1A2 0.97 ?
C1B Cl2B 1.72(2) ?
C1B Cl3B 1.86(2) ?
C1B H1B1 0.97 ?
C1B H1B2 0.97 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C32 H32 Cl1 0.93 2.81 3.543(6) 137
C67 H67C Cl2A 0.96 2.75 3.505(10) 137
C67 H67C Cl2B 0.96 2.69 3.547(9) 149
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_publ_flag
C11 P2 Rh C -6.3(3) y
C21 P2 Rh C -132.7(3) y
C31 P2 Rh C 117.1(3) y
C41 P2 Rh C 0.6(3) y
C51 P2 Rh C -118.8(3) y
C61 P2 Rh C 121.3(3) y
