#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:53:21 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179710 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/13/7001346.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_7001346
loop_
_publ_author_name
'Hounjet, Lindsay J.'
'Bierenstiel, Matthias'
'Ferguson, Michael J.'
'McDonald, Robert'
'Cowie, Martin'
_publ_section_title
;
 Mono- and binuclear complexes of rhodium involving a new series of
 hemilabile o-phosphinoaniline ligands
;
_journal_issue                   21
_journal_name_full               'Dalton Transactions'
_journal_page_first              4213
_journal_page_last               4226
_journal_paper_doi               10.1039/b822170g
_journal_year                    2009
_chemical_formula_moiety         'C20 H18 Cl N O P Rh, 0.25(C H2 Cl2)'
_chemical_formula_sum            'C20.25 H18.5 Cl1.5 N O P Rh'
_chemical_formula_weight         478.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 103.2770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.2776(8)
_cell_length_b                   34.571(3)
_cell_length_c                   11.5554(9)
_cell_measurement_reflns_used    6862
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.39
_cell_volume                     3996.0(6)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            30586
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.18
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.144
_exptl_absorpt_correction_T_max  0.9041
_exptl_absorpt_correction_T_min  0.6390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1924
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.879
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         8169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0307
_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)+(0.0325P)²+2.5251P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                7347
_reflns_number_total             8169
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b822170g.txt
_cod_data_source_block           compound(5)
_cod_depositor_comments
;
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        3996.0(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7001346
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Rh1A Rh 0.43053(2) 0.310648(6) 0.363552(16) 0.02837(6) Uani 1 1 d . . .
Cl1A Cl 0.45688(7) 0.33817(2) 0.55763(5) 0.03943(15) Uani 1 1 d . . .
P1A P 0.36924(6) 0.286556(19) 0.18365(5) 0.02758(13) Uani 1 1 d . . .
O1A O 0.7156(2) 0.30572(8) 0.3538(2) 0.0601(6) Uani 1 1 d . . .
N1A N 0.2219(2) 0.30870(6) 0.3570(2) 0.0329(5) Uani 1 1 d . . .
H1NA H 0.2004 0.3317 0.3897 0.039 Uiso 1 1 calc R . .
C1A C 0.6063(3) 0.30857(9) 0.3596(2) 0.0385(6) Uani 1 1 d . . .
C2A C 0.1935(3) 0.27690(10) 0.4344(3) 0.0479(7) Uani 1 1 d . . .
H2AA H 0.0977 0.2764 0.4323 0.058 Uiso 1 1 calc R . .
H2BA H 0.2440 0.2812 0.5162 0.058 Uiso 1 1 calc R . .
H2CA H 0.2201 0.2521 0.4056 0.058 Uiso 1 1 calc R . .
C11A C 0.1898(3) 0.29491(7) 0.1444(2) 0.0317(5) Uani 1 1 d . . .
C12A C 0.1341(3) 0.30566(8) 0.2377(2) 0.0340(6) Uani 1 1 d . . .
C13A C -0.0021(3) 0.31282(9) 0.2200(3) 0.0495(8) Uani 1 1 d . . .
H13A H -0.0399 0.3198 0.2848 0.059 Uiso 1 1 calc R . .
C14A C -0.0819(3) 0.30958(10) 0.1058(3) 0.0586(9) Uani 1 1 d . . .
H14A H -0.1751 0.3146 0.0925 0.070 Uiso 1 1 calc R . .
C15A C -0.0278(3) 0.29921(10) 0.0114(3) 0.0534(8) Uani 1 1 d . . .
H15A H -0.0834 0.2973 -0.0664 0.064 Uiso 1 1 calc R . .
C16A C 0.1073(3) 0.29164(8) 0.0304(3) 0.0407(6) Uani 1 1 d . . .
H16A H 0.1445 0.2842 -0.0344 0.049 Uiso 1 1 calc R . .
C21A C 0.4358(3) 0.30555(8) 0.0619(2) 0.0307(5) Uani 1 1 d . . .
C22A C 0.4119(3) 0.28654(8) -0.0481(2) 0.0368(6) Uani 1 1 d . . .
H22A H 0.3615 0.2633 -0.0597 0.044 Uiso 1 1 calc R . .
C23A C 0.4621(3) 0.30179(9) -0.1398(2) 0.0426(7) Uani 1 1 d . . .
H23A H 0.4441 0.2893 -0.2150 0.051 Uiso 1 1 calc R . .
C24A C 0.5380(3) 0.33503(9) -0.1224(3) 0.0449(7) Uani 1 1 d . . .
H24A H 0.5730 0.3452 -0.1854 0.054 Uiso 1 1 calc R . .
C25A C 0.5632(3) 0.35356(9) -0.0141(3) 0.0419(7) Uani 1 1 d . . .
H25A H 0.6166 0.3763 -0.0023 0.050 Uiso 1 1 calc R . .
C26A C 0.5112(3) 0.33932(8) 0.0779(2) 0.0343(6) Uani 1 1 d . . .
H26A H 0.5271 0.3526 0.1518 0.041 Uiso 1 1 calc R . .
C31A C 0.3911(3) 0.23464(7) 0.1700(2) 0.0295(5) Uani 1 1 d . . .
C32A C 0.5196(3) 0.22078(8) 0.1726(2) 0.0366(6) Uani 1 1 d . . .
H32A H 0.5923 0.2384 0.1818 0.044 Uiso 1 1 calc R . .
C33A C 0.5414(3) 0.18163(9) 0.1619(3) 0.0436(7) Uani 1 1 d . . .
H33A H 0.6285 0.1725 0.1617 0.052 Uiso 1 1 calc R . .
C34A C 0.4372(3) 0.15589(9) 0.1517(3) 0.0435(7) Uani 1 1 d . . .
H34A H 0.4526 0.1290 0.1449 0.052 Uiso 1 1 calc R . .
C35A C 0.3106(3) 0.16903(8) 0.1512(2) 0.0408(6) Uani 1 1 d . . .
H35A H 0.2392 0.1511 0.1450 0.049 Uiso 1 1 calc R . .
C36A C 0.2868(3) 0.20843(8) 0.1596(2) 0.0338(6) Uani 1 1 d . . .
H36A H 0.1991 0.2174 0.1583 0.041 Uiso 1 1 calc R . .
Rh1B Rh 0.31038(2) -0.082015(6) 0.203965(18) 0.03272(6) Uani 1 1 d . . .
Cl1B Cl 0.39226(7) -0.11137(2) 0.04884(6) 0.04206(16) Uani 1 1 d . . .
P1B P 0.21216(7) -0.05098(2) 0.32567(6) 0.03083(14) Uani 1 1 d . . .
O1B O 0.5588(2) -0.09141(10) 0.3892(2) 0.0801(9) Uani 1 1 d . . .
N1B N 0.1158(3) -0.07958(7) 0.0876(2) 0.0451(6) Uani 1 1 d . . .
H1NB H 0.1026 -0.1031 0.0474 0.054 Uiso 1 1 calc R . .
C1B C 0.4648(3) -0.08698(10) 0.3157(3) 0.0482(7) Uani 1 1 d . . .
C2B C 0.1078(4) -0.04883(12) -0.0044(3) 0.0705(11) Uani 1 1 d . . .
H2AB H 0.0183 -0.0489 -0.0573 0.085 Uiso 1 1 calc R . .
H2BB H 0.1746 -0.0539 -0.0510 0.085 Uiso 1 1 calc R . .
H2CB H 0.1252 -0.0236 0.0345 0.085 Uiso 1 1 calc R . .
C11B C 0.0368(3) -0.06055(8) 0.2635(3) 0.0376(6) Uani 1 1 d . . .
C12B C 0.0073(3) -0.07547(9) 0.1496(3) 0.0482(7) Uani 1 1 d . . .
C13B C -0.1226(4) -0.08684(12) 0.0966(4) 0.0745(12) Uani 1 1 d . . .
H13B H -0.1431 -0.0973 0.0185 0.089 Uiso 1 1 calc R . .
C14B C -0.2214(4) -0.08266(14) 0.1592(5) 0.0928(16) Uani 1 1 d . . .
H14B H -0.3100 -0.0907 0.1240 0.111 Uiso 1 1 calc R . .
C15B C -0.1932(4) -0.06700(13) 0.2715(5) 0.0764(12) Uani 1 1 d . . .
H15B H -0.2627 -0.0636 0.3124 0.092 Uiso 1 1 calc R . .
C16B C -0.0646(3) -0.05630(10) 0.3249(3) 0.0525(8) Uani 1 1 d . . .
H16B H -0.0448 -0.0460 0.4033 0.063 Uiso 1 1 calc R . .
C21B C 0.2387(3) -0.06418(8) 0.4816(2) 0.0346(6) Uani 1 1 d . . .
C22B C 0.2293(3) -0.03792(10) 0.5698(3) 0.0525(8) Uani 1 1 d . . .
H22B H 0.2128 -0.0114 0.5506 0.063 Uiso 1 1 calc R . .
C23B C 0.2439(4) -0.05042(12) 0.6858(3) 0.0609(10) Uani 1 1 d . . .
H23B H 0.2377 -0.0324 0.7463 0.073 Uiso 1 1 calc R . .
C24B C 0.2673(3) -0.08900(12) 0.7141(3) 0.0582(9) Uani 1 1 d . . .
H24B H 0.2764 -0.0975 0.7937 0.070 Uiso 1 1 calc R . .
C25B C 0.2775(3) -0.11497(10) 0.6270(3) 0.0512(8) Uani 1 1 d . . .
H25B H 0.2937 -0.1415 0.6466 0.061 Uiso 1 1 calc R . .
C26B C 0.2644(3) -0.10301(9) 0.5114(3) 0.0410(6) Uani 1 1 d . . .
H26B H 0.2728 -0.1212 0.4518 0.049 Uiso 1 1 calc R . .
C31B C 0.2311(3) 0.00127(8) 0.3271(2) 0.0341(6) Uani 1 1 d . . .
C32B C 0.1237(3) 0.02654(9) 0.3055(3) 0.0440(7) Uani 1 1 d . . .
H32B H 0.0352 0.0166 0.2895 0.053 Uiso 1 1 calc R . .
C33B C 0.1444(4) 0.06613(9) 0.3069(3) 0.0542(8) Uani 1 1 d . . .
H33B H 0.0700 0.0832 0.2919 0.065 Uiso 1 1 calc R . .
C34B C 0.2723(4) 0.08078(9) 0.3302(3) 0.0567(9) Uani 1 1 d . . .
H34B H 0.2863 0.1079 0.3307 0.068 Uiso 1 1 calc R . .
C35B C 0.3791(4) 0.05609(10) 0.3524(4) 0.0625(9) Uani 1 1 d . . .
H35B H 0.4674 0.0662 0.3698 0.075 Uiso 1 1 calc R . .
C36B C 0.3597(3) 0.01650(10) 0.3500(3) 0.0531(8) Uani 1 1 d . . .
H36B H 0.4346 -0.0004 0.3640 0.064 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'
N N 0.0061 0.0033 '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
C1A Rh1A N1A 174.70(11) . . ?
C1A Rh1A P1A 91.83(9) . . ?
N1A Rh1A P1A 83.49(6) . . ?
C1A Rh1A Cl1A 98.04(9) . . ?
N1A Rh1A Cl1A 86.69(6) . . ?
P1A Rh1A Cl1A 170.08(3) . . ?
C11A P1A C31A 105.87(12) . . ?
C11A P1A C21A 106.83(12) . . ?
C31A P1A C21A 102.27(11) . . ?
C11A P1A Rh1A 103.30(9) . . ?
C31A P1A Rh1A 116.25(8) . . ?
C21A P1A Rh1A 121.19(9) . . ?
C12A N1A C2A 110.4(2) . . ?
C12A N1A Rh1A 115.65(16) . . ?
C2A N1A Rh1A 109.70(18) . . ?
O1A C1A Rh1A 176.7(3) . . ?
C12A C11A C16A 119.2(2) . . ?
C12A C11A P1A 115.2(2) . . ?
C16A C11A P1A 125.6(2) . . ?
C11A C12A C13A 121.1(3) . . ?
C11A C12A N1A 118.4(2) . . ?
C13A C12A N1A 120.5(3) . . ?
C14A C13A C12A 118.7(3) . . ?
C15A C14A C13A 121.0(3) . . ?
C16A C15A C14A 119.8(3) . . ?
C15A C16A C11A 120.3(3) . . ?
C26A C21A C22A 119.4(2) . . ?
C26A C21A P1A 119.75(19) . . ?
C22A C21A P1A 120.8(2) . . ?
C23A C22A C21A 119.8(3) . . ?
C24A C23A C22A 120.2(3) . . ?
C23A C24A C25A 120.2(3) . . ?
C24A C25A C26A 120.5(3) . . ?
C25A C26A C21A 119.8(3) . . ?
C36A C31A C32A 119.0(2) . . ?
C36A C31A P1A 122.9(2) . . ?
C32A C31A P1A 118.1(2) . . ?
C33A C32A C31A 120.4(3) . . ?
C34A C33A C32A 120.1(3) . . ?
C33A C34A C35A 120.2(3) . . ?
C34A C35A C36A 120.2(3) . . ?
C31A C36A C35A 120.1(3) . . ?
C1B Rh1B N1B 172.77(12) . . ?
C1B Rh1B P1B 92.65(10) . . ?
N1B Rh1B P1B 83.24(7) . . ?
C1B Rh1B Cl1B 95.36(10) . . ?
N1B Rh1B Cl1B 89.11(7) . . ?
P1B Rh1B Cl1B 171.41(3) . . ?
C11B P1B C31B 106.25(13) . . ?
C11B P1B C21B 104.87(13) . . ?
C31B P1B C21B 104.43(12) . . ?
C11B P1B Rh1B 102.67(9) . . ?
C31B P1B Rh1B 115.39(9) . . ?
C21B P1B Rh1B 121.81(9) . . ?
C12B N1B C2B 110.8(3) . . ?
C12B N1B Rh1B 113.79(18) . . ?
C2B N1B Rh1B 111.5(2) . . ?
O1B C1B Rh1B 176.5(3) . . ?
C12B C11B C16B 119.8(3) . . ?
C12B C11B P1B 115.3(2) . . ?
C16B C11B P1B 124.8(2) . . ?
C11B C12B C13B 120.3(3) . . ?
C11B C12B N1B 118.5(3) . . ?
C13B C12B N1B 121.2(3) . . ?
C14B C13B C12B 119.0(4) . . ?
C15B C14B C13B 120.9(4) . . ?
C16B C15B C14B 120.2(4) . . ?
C15B C16B C11B 119.8(4) . . ?
C22B C21B C26B 119.4(3) . . ?
C22B C21B P1B 123.0(2) . . ?
C26B C21B P1B 117.5(2) . . ?
C23B C22B C21B 119.9(3) . . ?
C24B C23B C22B 120.3(3) . . ?
C25B C24B C23B 119.8(3) . . ?
C24B C25B C26B 120.6(3) . . ?
C25B C26B C21B 120.0(3) . . ?
C32B C31B C36B 118.6(3) . . ?
C32B C31B P1B 123.2(2) . . ?
C36B C31B P1B 118.2(2) . . ?
C31B C32B C33B 120.6(3) . . ?
C34B C33B C32B 120.2(3) . . ?
C35B C34B C33B 119.8(3) . . ?
C34B C35B C36B 120.6(3) . . ?
C35B C36B C31B 120.3(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
Rh1A C1A 1.819(3) . ?
Rh1A N1A 2.129(2) . ?
Rh1A P1A 2.1933(7) . ?
Rh1A Cl1A 2.3936(7) . ?
P1A C11A 1.819(3) . ?
P1A C31A 1.820(3) . ?
P1A C21A 1.823(2) . ?
O1A C1A 1.145(3) . ?
N1A C12A 1.468(3) . ?
N1A C2A 1.488(4) . ?
C11A C12A 1.383(4) . ?
C11A C16A 1.398(4) . ?
C12A C13A 1.390(4) . ?
C13A C14A 1.389(5) . ?
C14A C15A 1.381(5) . ?
C15A C16A 1.381(4) . ?
C21A C26A 1.390(4) . ?
C21A C22A 1.401(4) . ?
C22A C23A 1.385(4) . ?
C23A C24A 1.377(5) . ?
C24A C25A 1.377(4) . ?
C25A C26A 1.385(4) . ?
C31A C36A 1.387(4) . ?
C31A C32A 1.399(4) . ?
C32A C33A 1.382(4) . ?
C33A C34A 1.376(4) . ?
C34A C35A 1.377(4) . ?
C35A C36A 1.391(4) . ?
Rh1B C1B 1.809(3) . ?
Rh1B N1B 2.140(2) . ?
Rh1B P1B 2.1909(7) . ?
Rh1B Cl1B 2.3757(7) . ?
P1B C11B 1.811(3) . ?
P1B C31B 1.816(3) . ?
P1B C21B 1.818(3) . ?
O1B C1B 1.141(4) . ?
N1B C12B 1.465(4) . ?
N1B C2B 1.492(4) . ?
C11B C12B 1.381(4) . ?
C11B C16B 1.397(4) . ?
C12B C13B 1.391(5) . ?
C13B C14B 1.383(6) . ?
C14B C15B 1.374(7) . ?
C15B C16B 1.374(5) . ?
C21B C22B 1.384(4) . ?
C21B C26B 1.396(4) . ?
C22B C23B 1.384(4) . ?
C23B C24B 1.381(5) . ?
C24B C25B 1.371(5) . ?
C25B C26B 1.375(4) . ?
C31B C32B 1.384(4) . ?
C31B C36B 1.391(4) . ?
C32B C33B 1.385(4) . ?
C33B C34B 1.377(5) . ?
C34B C35B 1.368(5) . ?
C35B C36B 1.382(5) . ?
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
_geom_hbond_site_symmetry_A
N1A H1NA Cl1B 0.93 2.36 3.284(2) 169.9 2
N1B H1NB Cl1A 0.93 2.37 3.299(3) 173.7 2_545
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
C1A Rh1A P1A C11A -167.34(13) . . . . ?
N1A Rh1A P1A C11A 15.16(10) . . . . ?
Cl1A Rh1A P1A C11A 7.39(18) . . . . ?
C1A Rh1A P1A C31A 77.21(13) . . . . ?
N1A Rh1A P1A C31A -100.30(11) . . . . ?
Cl1A Rh1A P1A C31A -108.07(17) . . . . ?
C1A Rh1A P1A C21A -47.94(13) . . . . ?
N1A Rh1A P1A C21A 134.56(11) . . . . ?
Cl1A Rh1A P1A C21A 126.79(17) . . . . ?
C1A Rh1A N1A C12A -46.7(12) . . . . ?
P1A Rh1A N1A C12A -18.59(16) . . . . ?
Cl1A Rh1A N1A C12A 160.08(17) . . . . ?
C1A Rh1A N1A C2A 78.9(12) . . . . ?
P1A Rh1A N1A C2A 107.03(18) . . . . ?
Cl1A Rh1A N1A C2A -74.31(18) . . . . ?
N1A Rh1A C1A O1A -4(6) . . . . ?
P1A Rh1A C1A O1A -32(5) . . . . ?
Cl1A Rh1A C1A O1A 149(5) . . . . ?
C31A P1A C11A C12A 110.0(2) . . . . ?
C21A P1A C11A C12A -141.5(2) . . . . ?
Rh1A P1A C11A C12A -12.6(2) . . . . ?
C31A P1A C11A C16A -70.5(3) . . . . ?
C21A P1A C11A C16A 37.9(3) . . . . ?
Rh1A P1A C11A C16A 166.8(2) . . . . ?
C16A C11A C12A C13A 0.7(4) . . . . ?
P1A C11A C12A C13A -179.8(2) . . . . ?
C16A C11A C12A N1A 179.6(2) . . . . ?
P1A C11A C12A N1A -0.9(3) . . . . ?
C2A N1A C12A C11A -109.7(3) . . . . ?
Rh1A N1A C12A C11A 15.6(3) . . . . ?
C2A N1A C12A C13A 69.2(3) . . . . ?
Rh1A N1A C12A C13A -165.5(2) . . . . ?
C11A C12A C13A C14A -1.0(5) . . . . ?
N1A C12A C13A C14A -179.9(3) . . . . ?
C12A C13A C14A C15A 0.4(5) . . . . ?
C13A C14A C15A C16A 0.5(6) . . . . ?
C14A C15A C16A C11A -0.8(5) . . . . ?
C12A C11A C16A C15A 0.2(4) . . . . ?
P1A C11A C16A C15A -179.2(2) . . . . ?
C11A P1A C21A C26A 108.1(2) . . . . ?
C31A P1A C21A C26A -140.9(2) . . . . ?
Rh1A P1A C21A C26A -9.5(2) . . . . ?
C11A P1A C21A C22A -71.8(2) . . . . ?
C31A P1A C21A C22A 39.2(2) . . . . ?
Rh1A P1A C21A C22A 170.53(18) . . . . ?
C26A C21A C22A C23A -0.8(4) . . . . ?
P1A C21A C22A C23A 179.2(2) . . . . ?
C21A C22A C23A C24A 1.5(4) . . . . ?
C22A C23A C24A C25A -0.7(5) . . . . ?
C23A C24A C25A C26A -0.9(5) . . . . ?
C24A C25A C26A C21A 1.6(4) . . . . ?
C22A C21A C26A C25A -0.8(4) . . . . ?
P1A C21A C26A C25A 179.3(2) . . . . ?
C11A P1A C31A C36A -13.5(2) . . . . ?
C21A P1A C31A C36A -125.2(2) . . . . ?
Rh1A P1A C31A C36A 100.5(2) . . . . ?
C11A P1A C31A C32A 167.88(19) . . . . ?
C21A P1A C31A C32A 56.2(2) . . . . ?
Rh1A P1A C31A C32A -78.1(2) . . . . ?
C36A C31A C32A C33A 1.7(4) . . . . ?
P1A C31A C32A C33A -179.6(2) . . . . ?
C31A C32A C33A C34A -1.7(4) . . . . ?
C32A C33A C34A C35A 0.4(4) . . . . ?
C33A C34A C35A C36A 0.7(4) . . . . ?
C32A C31A C36A C35A -0.5(4) . . . . ?
P1A C31A C36A C35A -179.1(2) . . . . ?
C34A C35A C36A C31A -0.7(4) . . . . ?
C1B Rh1B P1B C11B -155.30(14) . . . . ?
N1B Rh1B P1B C11B 18.72(12) . . . . ?
Cl1B Rh1B P1B C11B 45.9(2) . . . . ?
C1B Rh1B P1B C31B 89.60(15) . . . . ?
N1B Rh1B P1B C31B -96.37(12) . . . . ?
Cl1B Rh1B P1B C31B -69.2(2) . . . . ?
C1B Rh1B P1B C21B -38.63(15) . . . . ?
N1B Rh1B P1B C21B 135.40(13) . . . . ?
Cl1B Rh1B P1B C21B 162.58(19) . . . . ?
C1B Rh1B N1B C12B 31.5(11) . . . . ?
P1B Rh1B N1B C12B -24.18(19) . . . . ?
Cl1B Rh1B N1B C12B 159.7(2) . . . . ?
C1B Rh1B N1B C2B 157.7(10) . . . . ?
P1B Rh1B N1B C2B 102.1(2) . . . . ?
Cl1B Rh1B N1B C2B -74.0(2) . . . . ?
N1B Rh1B C1B O1B 14(6) . . . . ?
P1B Rh1B C1B O1B 69(6) . . . . ?
Cl1B Rh1B C1B O1B -114(6) . . . . ?
C31B P1B C11B C12B 107.4(2) . . . . ?
C21B P1B C11B C12B -142.3(2) . . . . ?
Rh1B P1B C11B C12B -14.1(2) . . . . ?
C31B P1B C11B C16B -76.9(3) . . . . ?
C21B P1B C11B C16B 33.3(3) . . . . ?
Rh1B P1B C11B C16B 161.5(2) . . . . ?
C16B C11B C12B C13B -1.0(5) . . . . ?
P1B C11B C12B C13B 174.8(3) . . . . ?
C16B C11B C12B N1B -180.0(3) . . . . ?
P1B C11B C12B N1B -4.1(4) . . . . ?
C2B N1B C12B C11B -104.6(3) . . . . ?
Rh1B N1B C12B C11B 22.0(4) . . . . ?
C2B N1B C12B C13B 76.4(4) . . . . ?
Rh1B N1B C12B C13B -157.0(3) . . . . ?
C11B C12B C13B C14B 0.5(6) . . . . ?
N1B C12B C13B C14B 179.5(4) . . . . ?
C12B C13B C14B C15B 1.0(7) . . . . ?
C13B C14B C15B C16B -2.0(8) . . . . ?
C14B C15B C16B C11B 1.5(6) . . . . ?
C12B C11B C16B C15B 0.0(5) . . . . ?
P1B C11B C16B C15B -175.4(3) . . . . ?
C11B P1B C21B C22B -92.8(3) . . . . ?
C31B P1B C21B C22B 18.7(3) . . . . ?
Rh1B P1B C21B C22B 151.6(2) . . . . ?
C11B P1B C21B C26B 84.5(2) . . . . ?
C31B P1B C21B C26B -163.9(2) . . . . ?
Rh1B P1B C21B C26B -31.1(3) . . . . ?
C26B C21B C22B C23B -0.7(5) . . . . ?
P1B C21B C22B C23B 176.6(3) . . . . ?
C21B C22B C23B C24B -0.2(6) . . . . ?
C22B C23B C24B C25B 0.6(6) . . . . ?
C23B C24B C25B C26B 0.0(5) . . . . ?
C24B C25B C26B C21B -0.9(5) . . . . ?
C22B C21B C26B C25B 1.2(4) . . . . ?
P1B C21B C26B C25B -176.2(2) . . . . ?
C11B P1B C31B C32B 11.1(3) . . . . ?
C21B P1B C31B C32B -99.4(2) . . . . ?
Rh1B P1B C31B C32B 124.1(2) . . . . ?
C11B P1B C31B C36B -168.3(2) . . . . ?
C21B P1B C31B C36B 81.2(3) . . . . ?
Rh1B P1B C31B C36B -55.3(3) . . . . ?
C36B C31B C32B C33B -0.1(4) . . . . ?
P1B C31B C32B C33B -179.5(2) . . . . ?
C31B C32B C33B C34B -0.1(5) . . . . ?
C32B C33B C34B C35B -0.4(5) . . . . ?
C33B C34B C35B C36B 1.0(6) . . . . ?
C34B C35B C36B C31B -1.3(6) . . . . ?
C32B C31B C36B C35B 0.8(5) . . . . ?
P1B C31B C36B C35B -179.8(3) . . . . ?
