#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:05:59 +0100 (vie 25 de mar de 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003687.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_7003687
loop_
_publ_author_name
'Gómez-Ruiz, Santiago'
'Wolf, Robert'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Different transmetallation behaviour of [M(P4HR4)] salts toward
 rhodium(i) and copper(i) (M = Na, K; R = Ph, Mes; Mes = 2,4,6-Me3C6H2)
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              1982
_journal_page_last               1988
_journal_paper_doi               10.1039/b718727k
_journal_year                    2008
_chemical_formula_sum            'C44 H57 P4 Rh'
_chemical_formula_weight         812.69
_chemical_name_systematic
;
?
;
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-03-12T18:40:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                105.206(14)
_cell_angle_beta                 94.195(14)
_cell_angle_gamma                92.753(13)
_cell_formula_units_Z            2
_cell_length_a                   8.2250(14)
_cell_length_b                   11.9022(17)
_cell_length_c                   21.536(4)
_cell_measurement_reflns_used    12348
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.2698
_cell_measurement_theta_min      2.5844
_cell_volume                     2024.1(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick,1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       'ω scans and φ scans'
_diffrn_orient_matrix_UB_11      0.0381206203
_diffrn_orient_matrix_UB_12      0.0268802094
_diffrn_orient_matrix_UB_13      -0.0214237725
_diffrn_orient_matrix_UB_21      -0.0522476259
_diffrn_orient_matrix_UB_22      0.0464034073
_diffrn_orient_matrix_UB_23      0.0075216041
_diffrn_orient_matrix_UB_31      0.0575218286
_diffrn_orient_matrix_UB_32      0.0308804222
_diffrn_orient_matrix_UB_33      0.0256316617
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_unetI/netI     0.0914
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            38404
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    0.61
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.92626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.537
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         9977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0361P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                6959
_reflns_number_total             9977
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718727k.txt
_cod_data_source_block           x0063fin
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_sg_symbol_H-M      P-1
_cod_database_code               7003687
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9207(3) -0.0507(2) 0.17313(12) 0.0168(6) Uani 1 1 d . . .
C2 C 1.0918(3) -0.0457(2) 0.17207(12) 0.0180(6) Uani 1 1 d . . .
C3 C 1.1689(4) -0.1497(2) 0.15446(13) 0.0213(6) Uani 1 1 d . . .
H3 H 1.2845 -0.146 0.1547 0.026 Uiso 1 1 calc R . .
C4 C 1.0843(4) -0.2579(2) 0.13677(13) 0.0217(6) Uani 1 1 d . . .
C5 C 0.9160(4) -0.2612(2) 0.13642(13) 0.0226(6) Uani 1 1 d . . .
H5 H 0.8553 -0.3347 0.1235 0.027 Uiso 1 1 calc R . .
C6 C 0.8326(3) -0.1603(2) 0.15436(13) 0.0194(6) Uani 1 1 d . . .
C7 C 1.1966(3) 0.0673(2) 0.18903(14) 0.0227(6) Uani 1 1 d . . .
H7A H 1.2177 0.0958 0.2361 0.034 Uiso 1 1 calc R . .
H7B H 1.1398 0.1254 0.1724 0.034 Uiso 1 1 calc R . .
H7C H 1.3006 0.0542 0.1696 0.034 Uiso 1 1 calc R . .
C8 C 1.1729(4) -0.3682(3) 0.11807(15) 0.0304(7) Uani 1 1 d . . .
H8A H 1.1292 -0.4145 0.0749 0.046 Uiso 1 1 calc R . .
H8B H 1.1574 -0.4137 0.1493 0.046 Uiso 1 1 calc R . .
H8C H 1.2898 -0.3481 0.1178 0.046 Uiso 1 1 calc R . .
C9 C 0.6487(4) -0.1736(3) 0.15286(15) 0.0289(7) Uani 1 1 d . . .
H9A H 0.6151 -0.1387 0.1961 0.043 Uiso 1 1 calc R . .
H9B H 0.6121 -0.2567 0.1393 0.043 Uiso 1 1 calc R . .
H9C H 0.5994 -0.1342 0.1223 0.043 Uiso 1 1 calc R . .
C10 C 0.8163(3) 0.0494(2) 0.34447(12) 0.0163(6) Uani 1 1 d . . .
C11 C 0.6488(3) 0.0423(2) 0.35385(13) 0.0179(6) Uani 1 1 d . . .
C12 C 0.5950(3) -0.0213(2) 0.39479(13) 0.0202(6) Uani 1 1 d . . .
H12 H 0.482 -0.0245 0.4012 0.024 Uiso 1 1 calc R . .
C13 C 0.6988(4) -0.0804(2) 0.42680(13) 0.0222(6) Uani 1 1 d . . .
C14 C 0.8628(4) -0.0753(2) 0.41600(13) 0.0208(6) Uani 1 1 d . . .
H14 H 0.9361 -0.116 0.4368 0.025 Uiso 1 1 calc R . .
C15 C 0.9231(3) -0.0127(2) 0.37583(13) 0.0184(6) Uani 1 1 d . . .
C16 C 0.5205(3) 0.0977(3) 0.32082(14) 0.0252(7) Uani 1 1 d . . .
H16A H 0.4157 0.0521 0.3158 0.038 Uiso 1 1 calc R . .
H16B H 0.5526 0.0999 0.2782 0.038 Uiso 1 1 calc R . .
H16C H 0.5095 0.1775 0.3469 0.038 Uiso 1 1 calc R . .
C17 C 0.6331(4) -0.1530(3) 0.46825(15) 0.0332(8) Uani 1 1 d . . .
H17A H 0.535 -0.1198 0.4867 0.05 Uiso 1 1 calc R . .
H17B H 0.7162 -0.1533 0.5032 0.05 Uiso 1 1 calc R . .
H17C H 0.6054 -0.2331 0.4418 0.05 Uiso 1 1 calc R . .
C18 C 1.1028(3) -0.0149(3) 0.36647(15) 0.0284(7) Uani 1 1 d . . .
H18A H 1.1546 -0.062 0.3924 0.043 Uiso 1 1 calc R . .
H18B H 1.1536 0.0649 0.3802 0.043 Uiso 1 1 calc R . .
H18C H 1.1172 -0.049 0.3207 0.043 Uiso 1 1 calc R . .
C19 C 0.9372(3) 0.4234(2) 0.38085(12) 0.0160(6) Uani 1 1 d . . .
C20 C 1.1081(3) 0.4398(2) 0.38187(13) 0.0182(6) Uani 1 1 d . . .
C21 C 1.1881(4) 0.5416(2) 0.42068(13) 0.0206(6) Uani 1 1 d . . .
H21 H 1.3033 0.552 0.4205 0.025 Uiso 1 1 calc R . .
C22 C 1.1075(4) 0.6289(2) 0.45980(13) 0.0210(6) Uani 1 1 d . . .
C23 C 0.9410(4) 0.6102(2) 0.46006(13) 0.0201(6) Uani 1 1 d . . .
H23 H 0.8839 0.6678 0.4877 0.024 Uiso 1 1 calc R . .
C24 C 0.8527(3) 0.5099(2) 0.42138(12) 0.0175(6) Uani 1 1 d . . .
C25 C 1.2113(3) 0.3504(3) 0.34276(14) 0.0245(7) Uani 1 1 d . . .
H25A H 1.3212 0.3861 0.3428 0.037 Uiso 1 1 calc R . .
H25B H 1.1612 0.3228 0.2983 0.037 Uiso 1 1 calc R . .
H25C H 1.2184 0.2844 0.3618 0.037 Uiso 1 1 calc R . .
C26 C 1.1980(4) 0.7391(3) 0.50033(14) 0.0300(7) Uani 1 1 d . . .
H26A H 1.1294 0.7793 0.5334 0.045 Uiso 1 1 calc R . .
H26B H 1.2248 0.7901 0.4729 0.045 Uiso 1 1 calc R . .
H26C H 1.299 0.7202 0.5212 0.045 Uiso 1 1 calc R . .
C27 C 0.6693(3) 0.5022(3) 0.42433(13) 0.0221(6) Uani 1 1 d . . .
H27A H 0.641 0.5585 0.4635 0.033 Uiso 1 1 calc R . .
H27B H 0.6325 0.4232 0.4252 0.033 Uiso 1 1 calc R . .
H27C H 0.6158 0.5201 0.3862 0.033 Uiso 1 1 calc R . .
C28 C 0.6948(3) 0.4750(2) 0.24647(12) 0.0161(6) Uani 1 1 d . . .
C29 C 0.5252(3) 0.4442(2) 0.23537(12) 0.0171(6) Uani 1 1 d . . .
C30 C 0.4179(4) 0.5320(2) 0.24980(13) 0.0213(6) Uani 1 1 d . . .
H30 H 0.3036 0.5116 0.2431 0.026 Uiso 1 1 calc R . .
C31 C 0.4718(4) 0.6485(2) 0.27358(13) 0.0212(6) Uani 1 1 d . . .
C32 C 0.6387(3) 0.6770(2) 0.28152(13) 0.0198(6) Uani 1 1 d . . .
H32 H 0.677 0.7569 0.2961 0.024 Uiso 1 1 calc R . .
C33 C 0.7518(3) 0.5928(2) 0.26883(12) 0.0170(6) Uani 1 1 d . . .
C34 C 0.4555(4) 0.3196(2) 0.21037(14) 0.0233(6) Uani 1 1 d . . .
H34A H 0.4755 0.2783 0.2438 0.035 Uiso 1 1 calc R . .
H34B H 0.5082 0.281 0.1718 0.035 Uiso 1 1 calc R . .
H34C H 0.3376 0.3184 0.1993 0.035 Uiso 1 1 calc R . .
C35 C 0.3527(4) 0.7416(3) 0.29086(16) 0.0299(7) Uani 1 1 d . . .
H35A H 0.4057 0.8173 0.2912 0.045 Uiso 1 1 calc R . .
H35B H 0.3174 0.745 0.3338 0.045 Uiso 1 1 calc R . .
H35C H 0.2575 0.7232 0.2589 0.045 Uiso 1 1 calc R . .
C36 C 0.9306(3) 0.6340(2) 0.28068(14) 0.0226(6) Uani 1 1 d . . .
H36A H 0.9417 0.7193 0.2908 0.034 Uiso 1 1 calc R . .
H36B H 0.9858 0.6006 0.2419 0.034 Uiso 1 1 calc R . .
H36C H 0.9803 0.6087 0.3171 0.034 Uiso 1 1 calc R . .
C37 C 0.7727(4) 0.0807(3) 0.04865(13) 0.0277(7) Uani 1 1 d . . .
H37 H 0.7389 0.0017 0.0533 0.033 Uiso 1 1 calc R . .
C38 C 0.9375(4) 0.1087(2) 0.05935(13) 0.0263(7) Uani 1 1 d . . .
H38 H 1.0022 0.0463 0.0702 0.032 Uiso 1 1 calc R . .
C39 C 1.0312(5) 0.1870(3) 0.02767(18) 0.0447(10) Uani 1 1 d . . .
H39A H 1.1483 0.1722 0.0326 0.054 Uiso 1 1 calc R . .
H39B H 0.9961 0.1625 -0.0191 0.054 Uiso 1 1 calc R . .
C40 C 1.0179(6) 0.3103(3) 0.0499(2) 0.0745(16) Uani 1 1 d . . .
H40A H 0.999 0.3405 0.0115 0.089 Uiso 1 1 calc R . .
H40B H 1.1246 0.3461 0.0723 0.089 Uiso 1 1 calc R . .
C41 C 0.8876(5) 0.3524(3) 0.09430(15) 0.0375(9) Uani 1 1 d . . .
H41 H 0.9158 0.4311 0.125 0.045 Uiso 1 1 calc R . .
C42 C 0.7232(5) 0.3243(3) 0.08086(14) 0.0393(9) Uani 1 1 d . . .
H42 H 0.6531 0.3861 0.1032 0.047 Uiso 1 1 calc R . .
C43 C 0.6459(7) 0.2472(4) 0.0174(2) 0.0890(19) Uani 1 1 d . . .
H43A H 0.5291 0.2632 0.0137 0.107 Uiso 1 1 calc R . .
H43B H 0.6972 0.2713 -0.0177 0.107 Uiso 1 1 calc R . .
C44 C 0.6545(5) 0.1253(3) 0.00594(19) 0.0568(12) Uani 1 1 d . . .
H44A H 0.6814 0.0942 -0.0392 0.068 Uiso 1 1 calc R . .
H44B H 0.544 0.0914 0.0089 0.068 Uiso 1 1 calc R . .
P1 P 0.80238(9) 0.07963(6) 0.19911(3) 0.01931(17) Uani 1 1 d . . .
P2 P 0.92146(9) 0.14011(6) 0.29930(3) 0.01644(16) Uani 1 1 d . . .
P3 P 0.80021(9) 0.30583(6) 0.32574(3) 0.01617(16) Uani 1 1 d . . .
P4 P 0.83263(9) 0.35611(6) 0.23596(3) 0.01827(16) Uani 1 1 d . . .
Rh1 Rh 0.82122(3) 0.21655(2) 0.141489(11) 0.01981(7) Uani 1 1 d . . .
H4P H 0.972(3) 0.411(2) 0.2472(12) 0.022(8) Uiso 1 1 d . . .
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'
P P 0.1023 0.0942 '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
C6 C1 C2 119.0(2) . . ?
C6 C1 P1 117.3(2) . . ?
C2 C1 P1 123.8(2) . . ?
C3 C2 C1 118.9(3) . . ?
C3 C2 C7 118.0(3) . . ?
C1 C2 C7 123.1(2) . . ?
C4 C3 C2 122.8(3) . . ?
C4 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
C3 C4 C5 117.6(3) . . ?
C3 C4 C8 121.0(3) . . ?
C5 C4 C8 121.4(3) . . ?
C4 C5 C6 122.1(3) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 119.6(3) . . ?
C5 C6 C9 117.9(3) . . ?
C1 C6 C9 122.5(2) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 118.3(2) . . ?
C11 C10 P2 127.6(2) . . ?
C15 C10 P2 114.0(2) . . ?
C12 C11 C10 119.3(2) . . ?
C12 C11 C16 116.6(2) . . ?
C10 C11 C16 124.1(2) . . ?
C11 C12 C13 122.9(3) . . ?
C11 C12 H12 118.5 . . ?
C13 C12 H12 118.5 . . ?
C12 C13 C14 117.3(3) . . ?
C12 C13 C17 120.9(3) . . ?
C14 C13 C17 121.7(3) . . ?
C15 C14 C13 122.1(3) . . ?
C15 C14 H14 119 . . ?
C13 C14 H14 119 . . ?
C14 C15 C10 120.0(3) . . ?
C14 C15 C18 117.7(2) . . ?
C10 C15 C18 122.3(2) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 118.9(2) . . ?
C20 C19 P3 127.5(2) . . ?
C24 C19 P3 113.3(2) . . ?
C21 C20 C19 119.4(2) . . ?
C21 C20 C25 117.4(2) . . ?
C19 C20 C25 123.2(2) . . ?
C20 C21 C22 122.8(3) . . ?
C20 C21 H21 118.6 . . ?
C22 C21 H21 118.6 . . ?
C23 C22 C21 117.2(3) . . ?
C23 C22 C26 121.4(3) . . ?
C21 C22 C26 121.3(3) . . ?
C22 C23 C24 122.7(3) . . ?
C22 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
C23 C24 C19 118.9(3) . . ?
C23 C24 C27 117.4(2) . . ?
C19 C24 C27 123.7(2) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 120.0(2) . . ?
C33 C28 P4 122.3(2) . . ?
C29 C28 P4 117.5(2) . . ?
C30 C29 C28 118.6(2) . . ?
C30 C29 C34 118.5(3) . . ?
C28 C29 C34 122.8(2) . . ?
C31 C30 C29 122.2(3) . . ?
C31 C30 H30 118.9 . . ?
C29 C30 H30 118.9 . . ?
C30 C31 C32 118.1(3) . . ?
C30 C31 C35 121.0(3) . . ?
C32 C31 C35 120.8(3) . . ?
C31 C32 C33 122.2(3) . . ?
C31 C32 H32 118.9 . . ?
C33 C32 H32 118.9 . . ?
C32 C33 C28 118.8(3) . . ?
C32 C33 C36 117.6(2) . . ?
C28 C33 C36 123.7(2) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C44 126.3(3) . . ?
C38 C37 Rh1 71.68(16) . . ?
C44 C37 Rh1 108.0(2) . . ?
C38 C37 H37 114.1 . . ?
C44 C37 H37 114.1 . . ?
Rh1 C37 H37 114.1 . . ?
C37 C38 C39 125.0(3) . . ?
C37 C38 Rh1 72.23(17) . . ?
C39 C38 Rh1 109.41(19) . . ?
C37 C38 H38 114.1 . . ?
C39 C38 H38 114.1 . . ?
Rh1 C38 H38 114.1 . . ?
C40 C39 C38 118.2(3) . . ?
C40 C39 H39A 107.7 . . ?
C38 C39 H39A 107.7 . . ?
C40 C39 H39B 107.7 . . ?
C38 C39 H39B 107.7 . . ?
H39A C39 H39B 107.1 . . ?
C39 C40 C41 117.7(3) . . ?
C39 C40 H40A 107.9 . . ?
C41 C40 H40A 107.9 . . ?
C39 C40 H40B 107.9 . . ?
C41 C40 H40B 107.9 . . ?
H40A C40 H40B 107.2 . . ?
C42 C41 C40 126.1(4) . . ?
C42 C41 Rh1 71.99(19) . . ?
C40 C41 Rh1 108.9(2) . . ?
C42 C41 H41 113.9 . . ?
C40 C41 H41 113.9 . . ?
Rh1 C41 H41 113.9 . . ?
C41 C42 C43 124.0(4) . . ?
C41 C42 Rh1 71.66(18) . . ?
C43 C42 Rh1 109.9(2) . . ?
C41 C42 H42 114.4 . . ?
C43 C42 H42 114.4 . . ?
Rh1 C42 H42 114.4 . . ?
C44 C43 C42 117.9(3) . . ?
C44 C43 H43A 107.8 . . ?
C42 C43 H43A 107.8 . . ?
C44 C43 H43B 107.8 . . ?
C42 C43 H43B 107.8 . . ?
H43A C43 H43B 107.2 . . ?
C43 C44 C37 118.5(3) . . ?
C43 C44 H44A 107.7 . . ?
C37 C44 H44A 107.7 . . ?
C43 C44 H44B 107.7 . . ?
C37 C44 H44B 107.7 . . ?
H44A C44 H44B 107.1 . . ?
C1 P1 P2 96.43(9) . . ?
C1 P1 Rh1 116.75(9) . . ?
P2 P1 Rh1 113.75(4) . . ?
C10 P2 P3 102.91(9) . . ?
C10 P2 P1 104.74(9) . . ?
P3 P2 P1 95.91(4) . . ?
C19 P3 P4 97.75(9) . . ?
C19 P3 P2 111.35(9) . . ?
P4 P3 P2 96.80(4) . . ?
C28 P4 P3 99.12(9) . . ?
C28 P4 Rh1 120.53(9) . . ?
P3 P4 Rh1 119.48(4) . . ?
C28 P4 H4P 102.1(12) . . ?
P3 P4 H4P 103.3(12) . . ?
Rh1 P4 H4P 109.7(12) . . ?
C41 Rh1 C42 36.35(13) . . ?
C41 Rh1 C38 81.02(11) . . ?
C42 Rh1 C38 90.86(12) . . ?
C41 Rh1 C37 93.07(12) . . ?
C42 Rh1 C37 80.71(11) . . ?
C38 Rh1 C37 36.10(11) . . ?
C41 Rh1 P4 88.56(9) . . ?
C42 Rh1 P4 96.14(9) . . ?
C38 Rh1 P4 151.79(9) . . ?
C37 Rh1 P4 172.02(9) . . ?
C41 Rh1 P1 169.12(11) . . ?
C42 Rh1 P1 154.47(11) . . ?
C38 Rh1 P1 97.16(8) . . ?
C37 Rh1 P1 91.61(8) . . ?
P4 Rh1 P1 88.16(3) . . ?
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
C1 C6 1.407(4) . ?
C1 C2 1.407(4) . ?
C1 P1 1.853(3) . ?
C2 C3 1.394(4) . ?
C2 C7 1.507(4) . ?
C3 C4 1.380(4) . ?
C3 H3 0.95 . ?
C4 C5 1.382(4) . ?
C4 C8 1.509(4) . ?
C5 C6 1.391(4) . ?
C5 H5 0.95 . ?
C6 C9 1.511(4) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 C11 1.408(4) . ?
C10 C15 1.418(4) . ?
C10 P2 1.856(3) . ?
C11 C12 1.386(4) . ?
C11 C16 1.503(4) . ?
C12 C13 1.387(4) . ?
C12 H12 0.95 . ?
C13 C14 1.387(4) . ?
C13 C17 1.505(4) . ?
C14 C15 1.384(4) . ?
C14 H14 0.95 . ?
C15 C18 1.507(4) . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 C20 1.407(4) . ?
C19 C24 1.411(4) . ?
C19 P3 1.849(3) . ?
C20 C21 1.382(4) . ?
C20 C25 1.511(4) . ?
C21 C22 1.385(4) . ?
C21 H21 0.95 . ?
C22 C23 1.378(4) . ?
C22 C26 1.499(4) . ?
C23 C24 1.397(4) . ?
C23 H23 0.95 . ?
C24 C27 1.513(4) . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C28 C33 1.402(4) . ?
C28 C29 1.412(4) . ?
C28 P4 1.834(3) . ?
C29 C30 1.388(4) . ?
C29 C34 1.507(4) . ?
C30 C31 1.384(4) . ?
C30 H30 0.95 . ?
C31 C32 1.385(4) . ?
C31 C35 1.506(4) . ?
C32 C33 1.389(4) . ?
C32 H32 0.95 . ?
C33 C36 1.509(4) . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C35 H35A 0.98 . ?
C35 H35B 0.98 . ?
C35 H35C 0.98 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
C37 C38 1.369(4) . ?
C37 C44 1.499(4) . ?
C37 Rh1 2.213(3) . ?
C37 H37 1 . ?
C38 C39 1.506(4) . ?
C38 Rh1 2.206(3) . ?
C38 H38 1 . ?
C39 C40 1.432(5) . ?
C39 H39A 0.99 . ?
C39 H39B 0.99 . ?
C40 C41 1.506(5) . ?
C40 H40A 0.99 . ?
C40 H40B 0.99 . ?
C41 C42 1.368(5) . ?
C41 Rh1 2.192(3) . ?
C41 H41 1 . ?
C42 C43 1.508(5) . ?
C42 Rh1 2.196(3) . ?
C42 H42 1 . ?
C43 C44 1.413(5) . ?
C43 H43A 0.99 . ?
C43 H43B 0.99 . ?
C44 H44A 0.99 . ?
C44 H44B 0.99 . ?
P1 P2 2.2228(11) . ?
P1 Rh1 2.2989(8) . ?
P2 P3 2.2119(10) . ?
P3 P4 2.1987(10) . ?
P4 Rh1 2.2566(9) . ?
P4 H4P 1.26(3) . ?
