#------------------------------------------------------------------------------
#$Date: 2019-11-24 11:18:14 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/86/4088695.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_4088695
loop_
_publ_author_name
'Shimbayashi, Takuya'
'Okamoto, Kazuhiro'
'Ohe, Kouichi'
_publ_section_title
;
 C--H Activation Induced by Oxidative Addition of N--O Bonds in Oxime
 Esters: Formation of Rhodacycles and Cycloaddition with Alkynes
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2026
_journal_paper_doi               10.1021/acs.organomet.6b00311
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C79 H75 Cl2 N P2 Rh'
_chemical_formula_sum            'C79 H75 Cl2 N P2 Rh'
_chemical_formula_weight         1274.23
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                106.500(4)
_cell_angle_beta                 94.464(3)
_cell_angle_gamma                109.530(6)
_cell_formula_units_Z            2
_cell_length_a                   13.788(6)
_cell_length_b                   14.476(6)
_cell_length_c                   18.584(7)
_cell_measurement_reflns_used    8147
_cell_measurement_temperature    143
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.07
_cell_volume                     3290(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      143
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27071
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         27.519
_diffrn_reflns_theta_min         3.066
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.433
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1330.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.72
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     766
_refine_ls_number_reflns         14498
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1062
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0547P)²+0.2925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1298
_refine_ls_wR_factor_ref         0.1528
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9649
_reflns_number_total             14498
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om6b00311_si_002.cif
_cod_data_source_block           3
_cod_database_code               4088695
_shelxl_version_number           2014-3
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Rh1 Rh 0.99117(2) 0.37017(3) 0.29806(2) 0.02177(10) Uani 1 1 d . .
Cl1 Cl 1.08230(8) 0.26506(8) 0.24016(6) 0.0278(2) Uani 1 1 d . .
Cl2 Cl 1.05961(8) 0.40048(8) 0.43485(6) 0.0292(2) Uani 1 1 d . .
P1 P 1.13344(8) 0.51519(8) 0.29598(6) 0.0215(2) Uani 1 1 d . .
P2 P 0.85216(8) 0.21451(8) 0.28956(6) 0.0216(2) Uani 1 1 d . .
N1 N 0.9064(3) 0.4584(3) 0.3344(2) 0.0280(8) Uani 1 1 d . .
H1 H 0.9089 0.4870 0.3834 0.034 Uiso 1 1 calc R U
C1 C 0.8480(3) 0.4715(3) 0.2825(3) 0.0327(10) Uani 1 1 d . .
C2 C 0.7852(4) 0.5400(4) 0.3002(3) 0.0439(13) Uani 1 1 d . .
H2 H 0.7172 0.5045 0.2628 0.053 Uiso 1 1 calc R U
C3 C 0.7607(5) 0.5580(5) 0.3773(4) 0.0715(19) Uani 1 1 d . .
H3A H 0.7200 0.6028 0.3851 0.086 Uiso 1 1 calc R U
H3B H 0.7197 0.4914 0.3829 0.086 Uiso 1 1 calc R U
H3C H 0.8260 0.5916 0.4153 0.086 Uiso 1 1 calc R U
C4 C 0.8436(4) 0.6436(4) 0.2873(4) 0.0584(17) Uani 1 1 d . .
H4A H 0.8590 0.6295 0.2356 0.070 Uiso 1 1 calc R U
H4B H 0.7996 0.6852 0.2934 0.070 Uiso 1 1 calc R U
H4C H 0.9093 0.6818 0.3248 0.070 Uiso 1 1 calc R U
C5 C 0.8496(3) 0.4171(3) 0.2038(3) 0.0299(10) Uani 1 1 d . .
C6 C 1.1238(3) 0.6412(3) 0.3396(2) 0.0250(9) Uani 1 1 d . .
C7 C 0.7940(3) 0.1301(3) 0.1909(2) 0.0254(9) Uani 1 1 d . .
C8 C 1.1556(3) 0.5106(3) 0.1999(2) 0.0270(9) Uani 1 1 d . .
C9 C 0.9113(4) -0.0207(4) 0.3951(3) 0.0380(11) Uani 1 1 d . .
H9 H 0.9221 -0.0704 0.4155 0.046 Uiso 1 1 calc R U
C10 C 1.1458(3) 0.7203(3) 0.3079(3) 0.0321(10) Uani 1 1 d . .
H10 H 1.1639 0.7088 0.2587 0.039 Uiso 1 1 calc R U
C11 C 0.9188(3) 0.3620(3) 0.1965(3) 0.0268(9) Uani 1 1 d . .
C12 C 1.3455(3) 0.6313(4) 0.3547(3) 0.0331(10) Uani 1 1 d . .
H12 H 1.3316 0.6819 0.3370 0.040 Uiso 1 1 calc R U
C13 C 0.7652(3) 0.3071(3) 0.4037(2) 0.0281(9) Uani 1 1 d . .
H13 H 0.8363 0.3480 0.4275 0.034 Uiso 1 1 calc R U
C14 C 1.2864(3) 0.4652(3) 0.3706(2) 0.0298(10) Uani 1 1 d . .
H14 H 1.2317 0.4011 0.3647 0.036 Uiso 1 1 calc R U
C15 C 0.6865(3) 0.0887(3) 0.0682(2) 0.0300(10) Uani 1 1 d . .
H15 H 0.6371 0.1014 0.0377 0.036 Uiso 1 1 calc R U
C16 C 1.2646(3) 0.5373(3) 0.3450(2) 0.0242(9) Uani 1 1 d . .
C17 C 1.1419(4) 0.8151(4) 0.3465(3) 0.0364(11) Uani 1 1 d . .
H17 H 1.1571 0.8683 0.3240 0.044 Uiso 1 1 calc R U
C18 C 1.0988(3) 0.6601(3) 0.4122(2) 0.0277(9) Uani 1 1 d . .
H18 H 1.0841 0.6071 0.4350 0.033 Uiso 1 1 calc R U
C19 C 0.6856(4) 0.3227(4) 0.4417(3) 0.0345(11) Uani 1 1 d . .
H19 H 0.7021 0.3735 0.4909 0.041 Uiso 1 1 calc R U
C20 C 1.3881(3) 0.4846(4) 0.4052(3) 0.0345(11) Uani 1 1 d . .
H20 H 1.4027 0.4337 0.4219 0.041 Uiso 1 1 calc R U
C21 C 0.7953(4) 0.0406(4) 0.3365(3) 0.0375(11) Uani 1 1 d . .
H21 H 0.7260 0.0321 0.3170 0.045 Uiso 1 1 calc R U
C22 C 0.9955(4) 0.0626(4) 0.3923(3) 0.0372(11) Uani 1 1 d . .
H22 H 1.0648 0.0705 0.4113 0.045 Uiso 1 1 calc R U
C23 C 0.6379(3) 0.1726(4) 0.2984(2) 0.0312(10) Uani 1 1 d . .
H23 H 0.6208 0.1207 0.2496 0.037 Uiso 1 1 calc R U
C24 C 0.7226(3) 0.1482(3) 0.1446(2) 0.0290(10) Uani 1 1 d . .
H24 H 0.6984 0.2024 0.1659 0.035 Uiso 1 1 calc R U
C25 C 1.1158(4) 0.8325(4) 0.4182(3) 0.0372(11) Uani 1 1 d . .
H25 H 1.1122 0.8975 0.4447 0.045 Uiso 1 1 calc R U
C26 C 0.7876(3) 0.4124(4) 0.1377(3) 0.0391(12) Uani 1 1 d . .
H26 H 0.7412 0.4487 0.1426 0.047 Uiso 1 1 calc R U
C27 C 1.4671(3) 0.5785(4) 0.4148(3) 0.0369(11) Uani 1 1 d . .
H27 H 1.5363 0.5924 0.4387 0.044 Uiso 1 1 calc R U
C28 C 0.8630(4) 0.3048(4) 0.0592(3) 0.0402(12) Uani 1 1 d . .
H28 H 0.8676 0.2662 0.0097 0.048 Uiso 1 1 calc R U
C29 C 1.2534(3) 0.2054(4) 0.3700(3) 0.0382(11) Uani 1 1 d . .
H29 H 1.2341 0.2358 0.3350 0.046 Uiso 1 1 calc R U
C30 C 0.8287(3) 0.0507(3) 0.1576(3) 0.0317(10) Uani 1 1 d . .
H30 H 0.8770 0.0366 0.1880 0.038 Uiso 1 1 calc R U
C31 C 0.5588(3) 0.1887(4) 0.3364(3) 0.0358(11) Uani 1 1 d . .
H31 H 0.4875 0.1475 0.3133 0.043 Uiso 1 1 calc R U
C32 C 0.7939(4) -0.0082(4) 0.0807(3) 0.0387(11) Uani 1 1 d . .
H32 H 0.8189 -0.0614 0.0585 0.046 Uiso 1 1 calc R U
C33 C 0.5827(4) 0.2632(4) 0.4066(3) 0.0372(11) Uani 1 1 d . .
H33 H 0.5278 0.2740 0.4315 0.045 Uiso 1 1 calc R U
C34 C 1.2323(4) 0.4746(4) 0.1711(3) 0.0366(11) Uani 1 1 d . .
H34 H 1.2750 0.4566 0.2030 0.044 Uiso 1 1 calc R U
C35 C 1.4461(3) 0.6515(4) 0.3901(3) 0.0358(11) Uani 1 1 d . .
H35 H 1.5006 0.7162 0.3972 0.043 Uiso 1 1 calc R U
C36 C 1.2508(4) 0.2449(4) 0.4462(3) 0.0389(12) Uani 1 1 d . .
H36 H 1.2296 0.3021 0.4638 0.047 Uiso 1 1 calc R U
C37 C 1.0939(3) 0.5356(3) 0.1508(3) 0.0344(11) Uani 1 1 d . .
H37 H 1.0400 0.5584 0.1681 0.041 Uiso 1 1 calc R U
C38 C 1.0949(4) 0.7550(4) 0.4517(3) 0.0371(11) Uani 1 1 d . .
H38 H 1.0781 0.7672 0.5013 0.045 Uiso 1 1 calc R U
C39 C 0.7940(4) 0.3561(4) 0.0670(3) 0.0401(12) Uani 1 1 d . .
H39 H 0.7510 0.3522 0.0228 0.048 Uiso 1 1 calc R U
C40 C 1.1857(5) 0.4913(4) 0.0500(3) 0.0494(14) Uani 1 1 d . .
H40 H 1.1954 0.4845 -0.0010 0.059 Uiso 1 1 calc R U
C41 C 1.2839(4) 0.1218(4) 0.3439(3) 0.0436(13) Uani 1 1 d . .
H41 H 1.2855 0.0946 0.2913 0.052 Uiso 1 1 calc R U
C42 C 0.7427(3) 0.2334(3) 0.3324(2) 0.0249(9) Uani 1 1 d . .
C43 C 0.9795(3) 0.1354(3) 0.3617(2) 0.0303(10) Uani 1 1 d . .
H43 H 1.0378 0.1927 0.3607 0.036 Uiso 1 1 calc R U
C44 C 0.9259(3) 0.3092(4) 0.1237(3) 0.0329(10) Uani 1 1 d . .
H44 H 0.9744 0.2753 0.1174 0.039 Uiso 1 1 calc R U
C45 C 0.7220(4) 0.0115(4) 0.0367(3) 0.0380(11) Uani 1 1 d . .
H45 H 0.6972 -0.0291 -0.0159 0.046 Uiso 1 1 calc R U
C46 C 1.3123(4) 0.0783(4) 0.3957(4) 0.0465(14) Uani 1 1 d . .
H46 H 1.3332 0.0208 0.3781 0.056 Uiso 1 1 calc R U
C47 C 1.2796(4) 0.1999(4) 0.4971(3) 0.0446(13) Uani 1 1 d . .
H47 H 1.2779 0.2265 0.5498 0.054 Uiso 1 1 calc R U
C48 C 0.8107(4) -0.0303(4) 0.3676(3) 0.0427(12) Uani 1 1 d . .
H48 H 0.7521 -0.0862 0.3703 0.051 Uiso 1 1 calc R U
C49 C 1.1110(4) 0.5274(4) 0.0771(3) 0.0446(14) Uani 1 1 d . .
H49 H 1.0704 0.5471 0.0449 0.054 Uiso 1 1 calc R U
C50 C 0.8793(3) 0.1243(3) 0.3331(2) 0.0245(9) Uani 1 1 d . .
C51 C 1.2465(5) 0.4650(4) 0.0965(3) 0.0489(14) Uani 1 1 d . .
H51 H 1.2984 0.4401 0.0776 0.059 Uiso 1 1 calc R U
C52 C 0.5676(4) 0.0285(4) -0.1360(3) 0.0532(15) Uani 1 1 d . .
H52 H 0.5316 -0.0366 -0.1301 0.064 Uiso 1 1 calc R U
C53 C 1.5021(5) 0.2636(4) 0.1026(4) 0.0580(16) Uani 1 1 d . .
H53 H 1.5597 0.2603 0.0785 0.070 Uiso 1 1 calc R U
C54 C 1.3107(4) 0.1168(4) 0.4713(4) 0.0513(15) Uani 1 1 d . .
H54 H 1.3309 0.0867 0.5062 0.062 Uiso 1 1 calc R U
C55 C 0.5193(4) 0.0982(5) -0.1315(4) 0.0600(16) Uani 1 1 d . .
H55 H 0.4499 0.0816 -0.1220 0.072 Uiso 1 1 calc R U
C56 C 0.9716(4) -0.2014(5) 0.0534(4) 0.0620(17) Uani 1 1 d . .
H56 H 0.9438 -0.2621 0.0096 0.074 Uiso 1 1 calc R U
C57 C 0.6751(6) 0.7435(6) 0.1769(6) 0.089(3) Uani 1 1 d . .
H57 H 0.7193 0.8145 0.1899 0.107 Uiso 1 1 calc R U
C58 C 0.6692(5) 0.0533(5) -0.1493(3) 0.0613(17) Uani 1 1 d . .
H58 H 0.7036 0.0058 -0.1517 0.074 Uiso 1 1 calc R U
C59 C 1.5126(5) 0.2851(5) 0.1797(4) 0.0617(17) Uani 1 1 d . .
H59 H 1.5776 0.2968 0.2092 0.074 Uiso 1 1 calc R U
C60 C 0.5239(12) 0.0608(12) 0.5776(5) 0.141(4) Uani 1 1 d D .
H60 H 0.5410 0.1028 0.6299 0.169 Uiso 1 1 calc R U
C61 C 0.7202(5) 0.1478(6) -0.1589(3) 0.070(2) Uani 1 1 d . .
H61 H 0.7895 0.1647 -0.1688 0.085 Uiso 1 1 calc R U
C62 C 1.3250(5) 0.2512(4) 0.0953(4) 0.0666(19) Uani 1 1 d . .
H62 H 1.2601 0.2399 0.0659 0.080 Uiso 1 1 calc R U
C63 C 1.4087(5) 0.2468(4) 0.0600(4) 0.0625(17) Uani 1 1 d . .
H63 H 1.4013 0.2322 0.0063 0.075 Uiso 1 1 calc R U
C65 C 0.6713(5) 0.2171(5) -0.1543(3) 0.0635(17) Uani 1 1 d . .
H65 H 0.7066 0.2822 -0.1606 0.076 Uiso 1 1 calc R U
C66 C 0.5708(5) 0.1914(5) -0.1406(4) 0.0659(17) Uani 1 1 d . .
H66 H 0.5367 0.2393 -0.1374 0.079 Uiso 1 1 calc R U
C67 C 1.4304(5) 0.2899(5) 0.2146(4) 0.0692(19) Uani 1 1 d . .
H67 H 1.4386 0.3060 0.2685 0.083 Uiso 1 1 calc R U
C68 C 1.3357(5) 0.2717(5) 0.1724(5) 0.069(2) Uani 1 1 d . .
H68 H 1.2779 0.2735 0.1968 0.083 Uiso 1 1 calc R U
C69 C 0.9578(5) -0.2092(6) 0.1232(5) 0.073(2) Uani 1 1 d . .
H69 H 0.9208 -0.2749 0.1280 0.087 Uiso 1 1 calc R U
C70 C 0.5494(5) 0.6108(6) 0.2065(4) 0.074(2) Uani 1 1 d . .
H70 H 0.5053 0.5888 0.2401 0.089 Uiso 1 1 calc R U
C71 C 1.0628(5) -0.0222(5) 0.1095(5) 0.074(2) Uani 1 1 d . .
H71 H 1.0995 0.0433 0.1043 0.088 Uiso 1 1 calc R U
C72 C 1.0239(5) -0.1095(5) 0.0450(4) 0.0646(17) Uani 1 1 d . .
H72 H 1.0339 -0.1047 -0.0040 0.078 Uiso 1 1 calc R U
C73 C 0.5499(5) 0.5415(5) 0.1405(5) 0.074(2) Uani 1 1 d . .
H73 H 0.5060 0.4706 0.1279 0.089 Uiso 1 1 calc R U
C74 C 0.5813(5) 0.0876(4) 0.5260(8) 0.085(3) Uani 1 1 d D .
H74 H 0.6407 0.1508 0.5440 0.102 Uiso 1 1 calc R U
C75 C 0.6742(5) 0.6735(8) 0.1106(5) 0.090(3) Uani 1 1 d . .
H75 H 0.7176 0.6959 0.0768 0.109 Uiso 1 1 calc R U
C76 C 0.6122(6) 0.7114(6) 0.2246(4) 0.082(2) Uani 1 1 d . .
H76 H 0.6123 0.7604 0.2712 0.098 Uiso 1 1 calc R U
C77 C 0.5614(10) 0.0318(10) 0.4507(7) 0.113(4) Uani 1 1 d D .
H77 H 0.6055 0.0560 0.4179 0.136 Uiso 1 1 calc R U
C78 C 0.6119(6) 0.5714(7) 0.0916(4) 0.084(2) Uani 1 1 d . .
H78 H 0.6119 0.5222 0.0451 0.100 Uiso 1 1 calc R U
C79 C 0.9974(6) -0.1218(8) 0.1871(4) 0.086(2) Uani 1 1 d . .
H79 H 0.9881 -0.1270 0.2361 0.103 Uiso 1 1 calc R U
C80 C 1.0500(6) -0.0274(7) 0.1799(5) 0.086(3) Uani 1 1 d . .
H80 H 1.0772 0.0336 0.2236 0.103 Uiso 1 1 calc R U
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(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
C11 Rh1 N1 80.01(16) . .
C11 Rh1 P1 89.35(11) . .
N1 Rh1 P1 91.79(10) . .
C11 Rh1 Cl1 92.98(13) . .
N1 Rh1 Cl1 172.98(10) . .
P1 Rh1 Cl1 87.73(5) . .
C11 Rh1 P2 88.29(11) . .
N1 Rh1 P2 92.77(10) . .
P1 Rh1 P2 174.42(4) . .
Cl1 Rh1 P2 87.35(5) . .
C11 Rh1 Cl2 168.67(13) . .
N1 Rh1 Cl2 88.68(10) . .
P1 Rh1 Cl2 91.67(4) . .
Cl1 Rh1 Cl2 98.33(4) . .
P2 Rh1 Cl2 91.64(4) . .
C8 P1 C6 105.63(19) . .
C8 P1 C16 101.65(19) . .
C6 P1 C16 101.23(19) . .
C8 P1 Rh1 113.24(14) . .
C6 P1 Rh1 115.37(13) . .
C16 P1 Rh1 117.91(14) . .
C42 P2 C7 105.21(19) . .
C42 P2 C50 101.45(18) . .
C7 P2 C50 101.70(19) . .
C42 P2 Rh1 114.73(14) . .
C7 P2 Rh1 112.76(13) . .
C50 P2 Rh1 119.16(14) . .
C1 N1 Rh1 117.6(3) . .
C1 N1 H1 121.2 . .
Rh1 N1 H1 121.2 . .
N1 C1 C5 115.0(4) . .
N1 C1 C2 124.1(5) . .
C5 C1 C2 120.9(4) . .
C3 C2 C1 113.5(4) . .
C3 C2 C4 111.1(5) . .
C1 C2 C4 109.3(4) . .
C3 C2 H2 107.6 . .
C1 C2 H2 107.6 . .
C4 C2 H2 107.6 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C26 C5 C11 119.7(4) . .
C26 C5 C1 126.0(4) . .
C11 C5 C1 114.3(4) . .
C10 C6 C18 118.5(4) . .
C10 C6 P1 124.9(3) . .
C18 C6 P1 116.5(3) . .
C30 C7 C24 117.9(4) . .
C30 C7 P2 119.6(3) . .
C24 C7 P2 122.2(3) . .
C37 C8 C34 117.8(4) . .
C37 C8 P1 122.2(4) . .
C34 C8 P1 119.9(3) . .
C22 C9 C48 118.9(4) . .
C22 C9 H9 120.6 . .
C48 C9 H9 120.6 . .
C17 C10 C6 121.1(4) . .
C17 C10 H10 119.4 . .
C6 C10 H10 119.4 . .
C44 C11 C5 117.9(4) . .
C44 C11 Rh1 128.9(3) . .
C5 C11 Rh1 113.1(3) . .
C35 C12 C16 120.5(4) . .
C35 C12 H12 119.7 . .
C16 C12 H12 119.7 . .
C42 C13 C19 121.3(4) . .
C42 C13 H13 119.3 . .
C19 C13 H13 119.3 . .
C16 C14 C20 120.8(4) . .
C16 C14 H14 119.6 . .
C20 C14 H14 119.6 . .
C45 C15 C24 119.9(4) . .
C45 C15 H15 120.0 . .
C24 C15 H15 120.0 . .
C14 C16 C12 118.8(4) . .
C14 C16 P1 123.2(3) . .
C12 C16 P1 118.0(3) . .
C10 C17 C25 119.8(4) . .
C10 C17 H17 120.1 . .
C25 C17 H17 120.1 . .
C38 C18 C6 120.9(4) . .
C38 C18 H18 119.5 . .
C6 C18 H18 119.5 . .
C33 C19 C13 118.9(4) . .
C33 C19 H19 120.6 . .
C13 C19 H19 120.6 . .
C27 C20 C14 119.5(4) . .
C27 C20 H20 120.2 . .
C14 C20 H20 120.2 . .
C48 C21 C50 121.2(4) . .
C48 C21 H21 119.4 . .
C50 C21 H21 119.4 . .
C9 C22 C43 120.5(4) . .
C9 C22 H22 119.7 . .
C43 C22 H22 119.7 . .
C31 C23 C42 119.5(4) . .
C31 C23 H23 120.2 . .
C42 C23 H23 120.2 . .
C15 C24 C7 121.2(4) . .
C15 C24 H24 119.4 . .
C7 C24 H24 119.4 . .
C17 C25 C38 120.1(4) . .
C17 C25 H25 119.9 . .
C38 C25 H25 119.9 . .
C39 C26 C5 120.5(5) . .
C39 C26 H26 119.8 . .
C5 C26 H26 119.8 . .
C35 C27 C20 120.2(4) . .
C35 C27 H27 119.9 . .
C20 C27 H27 119.9 . .
C39 C28 C44 120.4(5) . .
C39 C28 H28 119.8 . .
C44 C28 H28 119.8 . .
C36 C29 C41 120.6(5) . .
C36 C29 H29 119.7 . .
C41 C29 H29 119.7 . .
C32 C30 C7 121.1(4) . .
C32 C30 H30 119.5 . .
C7 C30 H30 119.5 . .
C33 C31 C23 120.7(4) . .
C33 C31 H31 119.7 . .
C23 C31 H31 119.7 . .
C30 C32 C45 119.3(5) . .
C30 C32 H32 120.3 . .
C45 C32 H32 120.3 . .
C31 C33 C19 120.7(4) . .
C31 C33 H33 119.7 . .
C19 C33 H33 119.7 . .
C51 C34 C8 120.8(5) . .
C51 C34 H34 119.6 . .
C8 C34 H34 119.6 . .
C27 C35 C12 120.1(4) . .
C27 C35 H35 120.0 . .
C12 C35 H35 120.0 . .
C29 C36 C47 119.2(5) . .
C29 C36 H36 120.4 . .
C47 C36 H36 120.4 . .
C49 C37 C8 120.3(5) . .
C49 C37 H37 119.9 . .
C8 C37 H37 119.9 . .
C18 C38 C25 119.5(4) . .
C18 C38 H38 120.2 . .
C25 C38 H38 120.2 . .
C26 C39 C28 120.1(4) . .
C26 C39 H39 119.9 . .
C28 C39 H39 119.9 . .
C51 C40 C49 120.2(5) . .
C51 C40 H40 119.9 . .
C49 C40 H40 119.9 . .
C29 C41 C46 119.1(5) . .
C29 C41 H41 120.4 . .
C46 C41 H41 120.4 . .
C13 C42 C23 118.9(4) . .
C13 C42 P2 118.0(3) . .
C23 C42 P2 123.0(3) . .
C50 C43 C22 120.4(4) . .
C50 C43 H43 119.8 . .
C22 C43 H43 119.8 . .
C11 C44 C28 121.2(5) . .
C11 C44 H44 119.4 . .
C28 C44 H44 119.4 . .
C15 C45 C32 120.6(4) . .
C15 C45 H45 119.7 . .
C32 C45 H45 119.7 . .
C54 C46 C41 121.0(5) . .
C54 C46 H46 119.5 . .
C41 C46 H46 119.5 . .
C54 C47 C36 120.2(5) . .
C54 C47 H47 119.9 . .
C36 C47 H47 119.9 . .
C21 C48 C9 120.4(4) . .
C21 C48 H48 119.8 . .
C9 C48 H48 119.8 . .
C40 C49 C37 120.8(5) . .
C40 C49 H49 119.6 . .
C37 C49 H49 119.6 . .
C43 C50 C21 118.5(4) . .
C43 C50 P2 123.0(3) . .
C21 C50 P2 118.6(3) . .
C40 C51 C34 120.1(5) . .
C40 C51 H51 120.0 . .
C34 C51 H51 120.0 . .
C55 C52 C58 119.8(5) . .
C55 C52 H52 120.1 . .
C58 C52 H52 120.1 . .
C59 C53 C63 119.9(6) . .
C59 C53 H53 120.0 . .
C63 C53 H53 120.0 . .
C46 C54 C47 119.8(5) . .
C46 C54 H54 120.1 . .
C47 C54 H54 120.1 . .
C66 C55 C52 120.1(6) . .
C66 C55 H55 119.9 . .
C52 C55 H55 119.9 . .
C72 C56 C69 121.3(6) . .
C72 C56 H56 119.3 . .
C69 C56 H56 119.3 . .
C75 C57 C76 119.3(7) . .
C75 C57 H57 120.4 . .
C76 C57 H57 120.4 . .
C61 C58 C52 119.5(6) . .
C61 C58 H58 120.3 . .
C52 C58 H58 120.3 . .
C53 C59 C67 120.3(6) . .
C53 C59 H59 119.9 . .
C67 C59 H59 119.9 . .
C74 C60 C77 115.5(8) . 2_656
C74 C60 H60 122.2 . .
C77 C60 H60 122.2 2_656 .
C65 C61 C58 120.3(5) . .
C65 C61 H61 119.8 . .
C58 C61 H61 119.8 . .
C68 C62 C63 119.9(6) . .
C68 C62 H62 120.0 . .
C63 C62 H62 120.0 . .
C53 C63 C62 119.9(6) . .
C53 C63 H63 120.1 . .
C62 C63 H63 120.1 . .
C61 C65 C66 119.4(6) . .
C61 C65 H65 120.3 . .
C66 C65 H65 120.3 . .
C55 C66 C65 120.9(6) . .
C55 C66 H66 119.6 . .
C65 C66 H66 119.6 . .
C59 C67 C68 120.4(7) . .
C59 C67 H67 119.8 . .
C68 C67 H67 119.8 . .
C62 C68 C67 119.5(6) . .
C62 C68 H68 120.2 . .
C67 C68 H68 120.2 . .
C56 C69 C79 119.8(7) . .
C56 C69 H69 120.1 . .
C79 C69 H69 120.1 . .
C76 C70 C73 119.4(7) . .
C76 C70 H70 120.3 . .
C73 C70 H70 120.3 . .
C80 C71 C72 121.8(7) . .
C80 C71 H71 119.1 . .
C72 C71 H71 119.1 . .
C56 C72 C71 118.3(6) . .
C56 C72 H72 120.8 . .
C71 C72 H72 120.8 . .
C70 C73 C78 121.2(7) . .
C70 C73 H73 119.4 . .
C78 C73 H73 119.4 . .
C60 C74 C77 125.4(4) . .
C60 C74 H74 117.3 . .
C77 C74 H74 117.3 . .
C57 C75 C78 121.0(7) . .
C57 C75 H75 119.5 . .
C78 C75 H75 119.5 . .
C70 C76 C57 120.7(7) . .
C70 C76 H76 119.7 . .
C57 C76 H76 119.7 . .
C74 C77 C60 119.0(8) . 2_656
C74 C77 H77 120.5 . .
C60 C77 H77 120.5 2_656 .
C73 C78 C75 118.5(7) . .
C73 C78 H78 120.8 . .
C75 C78 H78 120.8 . .
C80 C79 C69 119.9(7) . .
C80 C79 H79 120.0 . .
C69 C79 H79 120.0 . .
C71 C80 C79 118.8(7) . .
C71 C80 H80 120.6 . .
C79 C80 H80 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C11 2.019(4) .
Rh1 N1 2.021(4) .
Rh1 P1 2.3581(13) .
Rh1 Cl1 2.3686(12) .
Rh1 P2 2.3747(13) .
Rh1 Cl2 2.5023(14) .
P1 C8 1.822(4) .
P1 C6 1.827(4) .
P1 C16 1.841(4) .
P2 C42 1.824(4) .
P2 C7 1.828(4) .
P2 C50 1.837(4) .
N1 C1 1.303(5) .
N1 H1 0.8800 .
C1 C5 1.458(6) .
C1 C2 1.509(6) .
C2 C3 1.469(7) .
C2 C4 1.542(6) .
C2 H2 1.0000 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C26 1.412(6) .
C5 C11 1.425(6) .
C6 C10 1.389(6) .
C6 C18 1.394(6) .
C7 C30 1.394(6) .
C7 C24 1.395(5) .
C8 C37 1.401(6) .
C8 C34 1.405(6) .
C9 C22 1.384(6) .
C9 C48 1.386(6) .
C9 H9 0.9500 .
C10 C17 1.378(6) .
C10 H10 0.9500 .
C11 C44 1.379(6) .
C12 C35 1.385(6) .
C12 C16 1.394(6) .
C12 H12 0.9500 .
C13 C42 1.379(6) .
C13 C19 1.397(6) .
C13 H13 0.9500 .
C14 C16 1.371(6) .
C14 C20 1.396(6) .
C14 H14 0.9500 .
C15 C45 1.367(6) .
C15 C24 1.383(6) .
C15 H15 0.9500 .
C17 C25 1.383(6) .
C17 H17 0.9500 .
C18 C38 1.381(6) .
C18 H18 0.9500 .
C19 C33 1.378(6) .
C19 H19 0.9500 .
C20 C27 1.381(6) .
C20 H20 0.9500 .
C21 C48 1.378(6) .
C21 C50 1.389(6) .
C21 H21 0.9500 .
C22 C43 1.398(6) .
C22 H22 0.9500 .
C23 C31 1.393(6) .
C23 C42 1.397(6) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C38 1.391(6) .
C25 H25 0.9500 .
C26 C39 1.363(7) .
C26 H26 0.9500 .
C27 C35 1.369(6) .
C27 H27 0.9500 .
C28 C39 1.382(7) .
C28 C44 1.397(6) .
C28 H28 0.9500 .
C29 C36 1.376(7) .
C29 C41 1.383(6) .
C29 H29 0.9500 .
C30 C32 1.387(6) .
C30 H30 0.9500 .
C31 C33 1.368(6) .
C31 H31 0.9500 .
C32 C45 1.389(6) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C51 1.390(6) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C36 C47 1.394(6) .
C36 H36 0.9500 .
C37 C49 1.387(6) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C51 1.371(7) .
C40 C49 1.372(7) .
C40 H40 0.9500 .
C41 C46 1.388(7) .
C41 H41 0.9500 .
C43 C50 1.381(6) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C54 1.362(8) .
C46 H46 0.9500 .
C47 C54 1.382(7) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 H49 0.9500 .
C51 H51 0.9500 .
C52 C55 1.371(8) .
C52 C58 1.386(8) .
C52 H52 0.9500 .
C53 C59 1.361(8) .
C53 C63 1.367(8) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C66 1.364(7) .
C55 H55 0.9500 .
C56 C72 1.346(8) .
C56 C69 1.356(8) .
C56 H56 0.9500 .
C57 C75 1.350(11) .
C57 C76 1.356(10) .
C57 H57 0.9500 .
C58 C61 1.383(8) .
C58 H58 0.9500 .
C59 C67 1.361(8) .
C59 H59 0.9500 .
C60 C74 1.348(2) .
C60 C77 1.380(10) 2_656
C60 H60 0.9500 .
C61 C65 1.371(9) .
C61 H61 0.9500 .
C62 C68 1.364(9) .
C62 C63 1.382(8) .
C62 H62 0.9500 .
C63 H63 0.9500 .
C65 C66 1.374(8) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C67 C68 1.372(9) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C79 1.376(10) .
C69 H69 0.9500 .
C70 C76 1.349(9) .
C70 C73 1.349(9) .
C70 H70 0.9500 .
C71 C80 1.354(10) .
C71 C72 1.381(9) .
C71 H71 0.9500 .
C72 H72 0.9500 .
C73 C78 1.356(9) .
C73 H73 0.9500 .
C74 C77 1.356(2) .
C74 H74 0.9500 .
C75 C78 1.362(10) .
C75 H75 0.9500 .
C76 H76 0.9500 .
C77 C60 1.380(10) 2_656
C77 H77 0.9500 .
C78 H78 0.9500 .
C79 C80 1.366(10) .
C79 H79 0.9500 .
C80 H80 0.9500 .
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
Rh1 N1 C1 C5 1.7(5) . .
Rh1 N1 C1 C2 -176.3(3) . .
N1 C1 C2 C3 -23.1(7) . .
C5 C1 C2 C3 159.1(5) . .
N1 C1 C2 C4 101.5(5) . .
C5 C1 C2 C4 -76.3(6) . .
N1 C1 C5 C26 175.0(4) . .
C2 C1 C5 C26 -6.9(7) . .
N1 C1 C5 C11 -2.7(5) . .
C2 C1 C5 C11 175.4(4) . .
C8 P1 C6 C10 -8.9(4) . .
C16 P1 C6 C10 96.7(4) . .
Rh1 P1 C6 C10 -134.8(3) . .
C8 P1 C6 C18 175.3(3) . .
C16 P1 C6 C18 -79.1(3) . .
Rh1 P1 C6 C18 49.4(4) . .
C42 P2 C7 C30 -139.3(3) . .
C50 P2 C7 C30 -33.8(4) . .
Rh1 P2 C7 C30 95.0(3) . .
C42 P2 C7 C24 47.0(4) . .
C50 P2 C7 C24 152.4(3) . .
Rh1 P2 C7 C24 -78.8(3) . .
C6 P1 C8 C37 -48.9(4) . .
C16 P1 C8 C37 -154.3(4) . .
Rh1 P1 C8 C37 78.3(4) . .
C6 P1 C8 C34 135.2(4) . .
C16 P1 C8 C34 29.9(4) . .
Rh1 P1 C8 C34 -97.6(4) . .
C18 C6 C10 C17 -0.8(6) . .
P1 C6 C10 C17 -176.5(3) . .
C26 C5 C11 C44 2.9(6) . .
C1 C5 C11 C44 -179.3(4) . .
C26 C5 C11 Rh1 -175.5(3) . .
C1 C5 C11 Rh1 2.3(5) . .
C20 C14 C16 C12 -0.7(6) . .
C20 C14 C16 P1 177.9(3) . .
C35 C12 C16 C14 -0.3(7) . .
C35 C12 C16 P1 -179.0(4) . .
C8 P1 C16 C14 -112.7(4) . .
C6 P1 C16 C14 138.6(4) . .
Rh1 P1 C16 C14 11.8(4) . .
C8 P1 C16 C12 65.9(4) . .
C6 P1 C16 C12 -42.8(4) . .
Rh1 P1 C16 C12 -169.7(3) . .
C6 C10 C17 C25 0.1(7) . .
C10 C6 C18 C38 0.6(6) . .
P1 C6 C18 C38 176.7(3) . .
C42 C13 C19 C33 -0.3(6) . .
C16 C14 C20 C27 1.1(7) . .
C48 C9 C22 C43 -0.5(7) . .
C45 C15 C24 C7 -0.9(6) . .
C30 C7 C24 C15 0.6(6) . .
P2 C7 C24 C15 174.4(3) . .
C10 C17 C25 C38 0.8(7) . .
C11 C5 C26 C39 -0.5(6) . .
C1 C5 C26 C39 -178.0(4) . .
C14 C20 C27 C35 -0.5(7) . .
C24 C7 C30 C32 0.4(6) . .
P2 C7 C30 C32 -173.6(3) . .
C42 C23 C31 C33 -0.1(7) . .
C7 C30 C32 C45 -1.1(7) . .
C23 C31 C33 C19 -1.1(7) . .
C13 C19 C33 C31 1.2(7) . .
C37 C8 C34 C51 0.4(7) . .
P1 C8 C34 C51 176.4(4) . .
C20 C27 C35 C12 -0.5(7) . .
C16 C12 C35 C27 0.9(7) . .
C41 C29 C36 C47 0.2(7) . .
C34 C8 C37 C49 -1.7(6) . .
P1 C8 C37 C49 -177.6(3) . .
C6 C18 C38 C25 0.3(7) . .
C17 C25 C38 C18 -1.0(7) . .
C5 C26 C39 C28 -1.3(7) . .
C44 C28 C39 C26 0.6(7) . .
C36 C29 C41 C46 -0.2(7) . .
C19 C13 C42 C23 -0.8(6) . .
C19 C13 C42 P2 -177.1(3) . .
C31 C23 C42 C13 1.0(6) . .
C31 C23 C42 P2 177.1(3) . .
C7 P2 C42 C13 -170.1(3) . .
C50 P2 C42 C13 84.2(4) . .
Rh1 P2 C42 C13 -45.6(4) . .
C7 P2 C42 C23 13.7(4) . .
C50 P2 C42 C23 -91.9(4) . .
Rh1 P2 C42 C23 138.2(3) . .
C9 C22 C43 C50 -0.8(7) . .
C5 C11 C44 C28 -3.6(6) . .
Rh1 C11 C44 C28 174.4(3) . .
C39 C28 C44 C11 2.0(7) . .
C24 C15 C45 C32 0.3(6) . .
C30 C32 C45 C15 0.7(7) . .
C29 C41 C46 C54 -0.2(7) . .
C29 C36 C47 C54 0.2(7) . .
C50 C21 C48 C9 -1.3(8) . .
C22 C9 C48 C21 1.5(8) . .
C51 C40 C49 C37 -1.5(8) . .
C8 C37 C49 C40 2.3(7) . .
C22 C43 C50 C21 1.0(7) . .
C22 C43 C50 P2 -178.2(3) . .
C48 C21 C50 C43 0.0(7) . .
C48 C21 C50 P2 179.3(4) . .
C42 P2 C50 C43 -136.0(4) . .
C7 P2 C50 C43 115.6(4) . .
Rh1 P2 C50 C43 -9.0(4) . .
C42 P2 C50 C21 44.7(4) . .
C7 P2 C50 C21 -63.6(4) . .
Rh1 P2 C50 C21 171.7(3) . .
C49 C40 C51 C34 0.2(8) . .
C8 C34 C51 C40 0.4(8) . .
C41 C46 C54 C47 0.5(8) . .
C36 C47 C54 C46 -0.5(7) . .
C58 C52 C55 C66 0.5(9) . .
C55 C52 C58 C61 -0.9(9) . .
C63 C53 C59 C67 0.0(9) . .
C52 C58 C61 C65 1.0(9) . .
C59 C53 C63 C62 -0.3(9) . .
C68 C62 C63 C53 -0.3(9) . .
C58 C61 C65 C66 -0.5(10) . .
C52 C55 C66 C65 0.0(10) . .
C61 C65 C66 C55 0.0(10) . .
C53 C59 C67 C68 0.9(9) . .
C63 C62 C68 C67 1.2(9) . .
C59 C67 C68 C62 -1.5(10) . .
C72 C56 C69 C79 0.2(10) . .
C69 C56 C72 C71 -0.6(10) . .
C80 C71 C72 C56 0.4(10) . .
C76 C70 C73 C78 -0.4(11) . .
C77 C60 C74 C77 0.2(14) 2_656 .
C76 C57 C75 C78 -0.6(12) . .
C73 C70 C76 C57 0.3(11) . .
C75 C57 C76 C70 0.2(12) . .
C60 C74 C77 C60 -0.2(14) . 2_656
C70 C73 C78 C75 -0.1(11) . .
C57 C75 C78 C73 0.6(12) . .
C56 C69 C79 C80 0.3(11) . .
C72 C71 C80 C79 0.1(10) . .
C69 C79 C80 C71 -0.5(10) . .
