#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:58:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179771 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/67/7006771.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_7006771
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            'C66.67 H69.67 Cl13 O2 P2 Rh2'
_chemical_formula_weight         1631.48
_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_creation_method           SHELXL-97
_cell_angle_alpha                100.226(3)
_cell_angle_beta                 109.755(3)
_cell_angle_gamma                101.837(3)
_cell_formula_units_Z            2
_cell_length_a                   14.0174(19)
_cell_length_b                   14.210(2)
_cell_length_c                   19.617(3)
_cell_measurement_reflns_used    7976
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      38.07
_cell_measurement_theta_min      3.04
_cell_volume                     3467.6(9)
_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 0.877
_diffrn_measured_fraction_theta_max 0.877
_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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            60660
_diffrn_reflns_theta_full        38.25
_diffrn_reflns_theta_max         38.25
_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    1.066
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5817
_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    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1653
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.049
_refine_diff_density_min         -3.367
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     874
_refine_ls_number_reflns         33678
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1396
_refine_ls_R_factor_gt           0.0806
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0819P)²+22.0001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1884
_refine_ls_wR_factor_ref         0.2369
_reflns_number_gt                20725
_reflns_number_total             33678
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b513870c.txt
_cod_data_source_block           cj-i16_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 '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_cell_volume        3467.6(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006771
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
Rh1 Rh 0.93624(2) 0.21264(2) 0.298377(14) 0.01791(5) Uani 1 1 d . . .
P1 P 0.76958(8) 0.11447(7) 0.21883(6) 0.02215(18) Uani 1 1 d . . .
Cl1 Cl 0.98400(10) 0.20562(10) 0.19292(6) 0.0359(2) Uani 1 1 d . . .
C1 C 0.7413(3) 0.4006(2) 0.19793(18) 0.0169(5) Uani 1 1 d . . .
O1 O 0.7081(2) 0.29734(19) 0.19617(14) 0.0192(4) Uani 1 1 d . . .
Rh2 Rh 0.46281(2) 0.46386(2) 0.232777(14) 0.01895(6) Uani 1 1 d . . .
P2 P 0.61497(7) 0.54508(7) 0.33728(5) 0.01692(15) Uani 1 1 d . . .
Cl2 Cl 0.49330(8) 0.60376(8) 0.18459(5) 0.0293(2) Uani 1 1 d . . .
C2 C 0.6548(3) 0.4224(3) 0.13562(19) 0.0183(5) Uani 1 1 d . . .
H2A H 0.6799 0.4927 0.1354 0.022 Uiso 1 1 calc R . .
H2B H 0.5917 0.4160 0.1485 0.022 Uiso 1 1 calc R . .
O2 O 0.7398(2) 0.44911(19) 0.26884(14) 0.0179(4) Uani 1 1 d . . .
C3 C 0.6204(3) 0.3560(3) 0.05556(19) 0.0198(6) Uani 1 1 d . . .
C4 C 0.6336(3) 0.2525(3) 0.05881(18) 0.0194(6) Uani 1 1 d . . .
C5 C 0.6017(3) 0.1771(3) -0.00757(19) 0.0227(6) Uani 1 1 d . . .
H5A H 0.5686 0.1907 -0.0542 0.027 Uiso 1 1 calc R . .
C6 C 0.6163(3) 0.0824(3) -0.0083(2) 0.0249(7) Uani 1 1 d . . .
C7 C 0.6669(3) 0.0650(3) 0.0616(2) 0.0251(7) Uani 1 1 d . . .
H7A H 0.6788 0.0018 0.0629 0.030 Uiso 1 1 calc R . .
C8 C 0.6999(3) 0.1379(3) 0.12898(19) 0.0199(6) Uani 1 1 d . . .
C9 C 0.6809(3) 0.2309(2) 0.12737(18) 0.0178(5) Uani 1 1 d . . .
C10 C 0.6851(4) 0.4007(3) 0.0131(2) 0.0287(8) Uani 1 1 d . . .
H10A H 0.7590 0.4014 0.0374 0.043 Uiso 1 1 calc R . .
H10B H 0.6816 0.4691 0.0140 0.043 Uiso 1 1 calc R . .
H10C H 0.6559 0.3601 -0.0391 0.043 Uiso 1 1 calc R . .
C11 C 0.5033(3) 0.3485(4) 0.0119(2) 0.0287(8) Uani 1 1 d . . .
H11A H 0.4822 0.3145 -0.0412 0.043 Uiso 1 1 calc R . .
H11B H 0.4945 0.4157 0.0163 0.043 Uiso 1 1 calc R . .
H11C H 0.4589 0.3105 0.0328 0.043 Uiso 1 1 calc R . .
C12 C 0.5834(4) 0.0032(4) -0.0801(2) 0.0352(10) Uani 1 1 d . . .
H12A H 0.5378 -0.0580 -0.0785 0.053 Uiso 1 1 calc R . .
H12B H 0.6463 -0.0103 -0.0861 0.053 Uiso 1 1 calc R . .
H12C H 0.5445 0.0261 -0.1226 0.053 Uiso 1 1 calc R . .
C13 C 0.8552(3) 0.4255(3) 0.2040(2) 0.0220(6) Uani 1 1 d . . .
H13A H 0.8555 0.3952 0.1546 0.026 Uiso 1 1 calc R . .
H13B H 0.8948 0.3936 0.2407 0.026 Uiso 1 1 calc R . .
C14 C 0.9150(3) 0.5378(3) 0.2279(3) 0.0268(7) Uani 1 1 d . . .
C15 C 0.8680(3) 0.5982(3) 0.2733(2) 0.0188(6) Uani 1 1 d . . .
C16 C 0.9062(3) 0.7022(3) 0.2980(2) 0.0194(6) Uani 1 1 d . . .
H16A H 0.9640 0.7343 0.2874 0.023 Uiso 1 1 calc R . .
C17 C 0.8631(3) 0.7611(2) 0.33758(19) 0.0177(5) Uani 1 1 d . . .
C18 C 0.7771(3) 0.7125(3) 0.35151(18) 0.0173(5) Uani 1 1 d . . .
H18A H 0.7459 0.7509 0.3778 0.021 Uiso 1 1 calc R . .
C19 C 0.7361(2) 0.6090(2) 0.32770(17) 0.0158(5) Uani 1 1 d . . .
C20 C 0.7817(3) 0.5520(3) 0.28933(18) 0.0175(5) Uani 1 1 d . . .
C21 C 0.9099(5) 0.5775(3) 0.1579(3) 0.0436(12) Uani 1 1 d . . .
H21A H 0.9571 0.6456 0.1745 0.065 Uiso 1 1 calc R . .
H21B H 0.8372 0.5776 0.1301 0.065 Uiso 1 1 calc R . .
H21C H 0.9322 0.5342 0.1253 0.065 Uiso 1 1 calc R . .
C22 C 1.0312(4) 0.5509(4) 0.2773(5) 0.059(2) Uani 1 1 d . . .
H22A H 1.0362 0.5416 0.3265 0.089 Uiso 1 1 calc R . .
H22B H 1.0741 0.6182 0.2837 0.089 Uiso 1 1 calc R . .
H22C H 1.0572 0.5014 0.2530 0.089 Uiso 1 1 calc R . .
C23 C 0.9049(3) 0.8735(3) 0.3600(2) 0.0227(6) Uani 1 1 d . . .
H23A H 0.8628 0.9026 0.3840 0.034 Uiso 1 1 calc R . .
H23B H 0.9002 0.8968 0.3152 0.034 Uiso 1 1 calc R . .
H23C H 0.9789 0.8940 0.3954 0.034 Uiso 1 1 calc R . .
C24 C 0.7675(4) -0.0155(3) 0.1937(3) 0.0367(11) Uani 1 1 d . . .
C25 C 0.8265(5) -0.0559(4) 0.1584(3) 0.0470(15) Uani 1 1 d . . .
H25A H 0.8770 -0.0151 0.1457 0.056 Uiso 1 1 calc R . .
C26 C 0.8078(6) -0.1612(4) 0.1422(4) 0.069(2) Uani 1 1 d . . .
H26A H 0.8455 -0.1920 0.1174 0.083 Uiso 1 1 calc R . .
C27 C 0.7351(6) -0.2194(4) 0.1624(5) 0.083(3) Uani 1 1 d . . .
H27A H 0.7246 -0.2895 0.1514 0.100 Uiso 1 1 calc R . .
C28 C 0.6786(5) -0.1795(4) 0.1972(5) 0.076(3) Uani 1 1 d . . .
H28A H 0.6290 -0.2214 0.2099 0.091 Uiso 1 1 calc R . .
C29 C 0.6934(4) -0.0761(4) 0.2144(3) 0.0519(17) Uani 1 1 d . . .
C30 C 0.6391(4) -0.0201(4) 0.2509(3) 0.0502(16) Uani 1 1 d . . .
C31 C 0.5623(5) -0.0570(6) 0.2790(5) 0.082(3) Uani 1 1 d . . .
H31A H 0.5438 -0.1256 0.2778 0.099 Uiso 1 1 calc R . .
C32 C 0.5142(5) 0.0059(7) 0.3082(5) 0.080(3) Uani 1 1 d . . .
H32A H 0.4627 -0.0201 0.3266 0.095 Uiso 1 1 calc R . .
C33 C 0.5403(4) 0.1068(6) 0.3110(4) 0.0569(18) Uani 1 1 d . . .
H33A H 0.5066 0.1496 0.3307 0.068 Uiso 1 1 calc R . .
C34 C 0.6181(3) 0.1450(4) 0.2839(3) 0.0341(10) Uani 1 1 d . . .
H34A H 0.6367 0.2138 0.2855 0.041 Uiso 1 1 calc R . .
C35 C 0.6666(3) 0.0825(3) 0.2553(2) 0.0312(9) Uani 1 1 d . . .
C36 C 0.6578(2) 0.4868(3) 0.41396(18) 0.0176(5) Uani 1 1 d . . .
C37 C 0.6955(3) 0.4029(3) 0.4134(2) 0.0214(6) Uani 1 1 d . . .
H37A H 0.7075 0.3723 0.3711 0.026 Uiso 1 1 calc R . .
C38 C 0.7151(3) 0.3652(3) 0.4763(2) 0.0246(7) Uani 1 1 d . . .
H38A H 0.7410 0.3085 0.4769 0.029 Uiso 1 1 calc R . .
C39 C 0.6970(3) 0.4102(3) 0.5384(2) 0.0271(8) Uani 1 1 d . . .
H39A H 0.7096 0.3830 0.5804 0.033 Uiso 1 1 calc R . .
C40 C 0.6606(3) 0.4943(3) 0.5393(2) 0.0244(7) Uani 1 1 d . . .
H40A H 0.6489 0.5247 0.5819 0.029 Uiso 1 1 calc R . .
C41 C 0.6414(3) 0.5340(3) 0.47700(18) 0.0191(6) Uani 1 1 d . . .
C42 C 0.6047(3) 0.6227(3) 0.46826(19) 0.0193(6) Uani 1 1 d . . .
C43 C 0.5857(3) 0.6880(3) 0.5216(2) 0.0269(7) Uani 1 1 d . . .
H43A H 0.5968 0.6774 0.5698 0.032 Uiso 1 1 calc R . .
C44 C 0.5507(4) 0.7679(4) 0.5031(3) 0.0325(9) Uani 1 1 d . . .
H44A H 0.5384 0.8125 0.5393 0.039 Uiso 1 1 calc R . .
C45 C 0.5332(4) 0.7842(4) 0.4327(3) 0.0301(8) Uani 1 1 d . . .
H45A H 0.5094 0.8397 0.4213 0.036 Uiso 1 1 calc R . .
C46 C 0.5501(3) 0.7196(3) 0.3786(2) 0.0238(6) Uani 1 1 d . . .
H46A H 0.5364 0.7296 0.3300 0.029 Uiso 1 1 calc R . .
C47 C 0.5878(3) 0.6399(3) 0.39696(19) 0.0186(6) Uani 1 1 d . . .
C48 C 0.9151(3) 0.1687(3) 0.3908(2) 0.0277(8) Uani 1 1 d . . .
H48A H 0.8520 0.1103 0.3767 0.033 Uiso 1 1 calc R . .
C49 C 0.8909(3) 0.2606(3) 0.3887(2) 0.0300(8) Uani 1 1 d . . .
H49A H 0.8136 0.2542 0.3725 0.036 Uiso 1 1 calc R . .
C50 C 0.9603(4) 0.3615(5) 0.4385(4) 0.0582(18) Uani 1 1 d . . .
H50A H 0.9236 0.4118 0.4237 0.070 Uiso 1 1 calc R . .
H50B H 0.9682 0.3630 0.4908 0.070 Uiso 1 1 calc R . .
C51 C 1.0658(5) 0.3919(7) 0.4376(4) 0.076(3) Uani 1 1 d . . .
H51A H 1.1175 0.3867 0.4848 0.091 Uiso 1 1 calc R . .
H51B H 1.0822 0.4631 0.4377 0.091 Uiso 1 1 calc R . .
C52 C 1.0828(3) 0.3333(4) 0.3721(2) 0.0355(11) Uani 1 1 d . . .
H52A H 1.1160 0.3748 0.3454 0.043 Uiso 1 1 calc R . .
C53 C 1.1043(3) 0.2429(5) 0.3713(3) 0.0350(10) Uani 1 1 d . . .
H53A H 1.1502 0.2294 0.3435 0.042 Uiso 1 1 calc R . .
C54 C 1.1089(5) 0.1879(8) 0.4307(4) 0.093(3) Uani 1 1 d . . .
H54A H 1.1271 0.1259 0.4154 0.111 Uiso 1 1 calc R . .
H54B H 1.1681 0.2295 0.4779 0.111 Uiso 1 1 calc R . .
C55 C 1.0159(4) 0.1607(5) 0.4475(3) 0.0515(17) Uani 1 1 d . . .
H55A H 1.0296 0.2039 0.4973 0.062 Uiso 1 1 calc R . .
H55B H 1.0044 0.0910 0.4513 0.062 Uiso 1 1 calc R . .
C56 C 0.4076(3) 0.3623(3) 0.2884(2) 0.0233(7) Uani 1 1 d . . .
H56A H 0.4469 0.3828 0.3442 0.028 Uiso 1 1 calc R . .
C57 C 0.4624(3) 0.3206(3) 0.2481(2) 0.0210(6) Uani 1 1 d . . .
H57A H 0.5330 0.3168 0.2810 0.025 Uiso 1 1 calc R . .
C58 C 0.4122(3) 0.2423(3) 0.1732(2) 0.0276(7) Uani 1 1 d . . .
H58A H 0.3895 0.1762 0.1817 0.033 Uiso 1 1 calc R . .
H58B H 0.4659 0.2401 0.1511 0.033 Uiso 1 1 calc R . .
C59 C 0.3162(3) 0.2619(4) 0.1169(2) 0.0319(9) Uani 1 1 d . . .
H59A H 0.3068 0.2295 0.0651 0.038 Uiso 1 1 calc R . .
H59B H 0.2517 0.2316 0.1245 0.038 Uiso 1 1 calc R . .
C60 C 0.3290(3) 0.3723(4) 0.1255(2) 0.0281(8) Uani 1 1 d . . .
H60A H 0.3312 0.3942 0.0802 0.034 Uiso 1 1 calc R . .
C61 C 0.2920(3) 0.4308(3) 0.1684(3) 0.0282(8) Uani 1 1 d . . .
H61A H 0.2709 0.4864 0.1479 0.034 Uiso 1 1 calc R . .
C62 C 0.2364(3) 0.3974(4) 0.2182(3) 0.0363(10) Uani 1 1 d . . .
H62A H 0.1615 0.3609 0.1864 0.044 Uiso 1 1 calc R . .
H62B H 0.2376 0.4571 0.2537 0.044 Uiso 1 1 calc R . .
C63 C 0.2873(3) 0.3301(4) 0.2631(2) 0.0304(8) Uani 1 1 d . . .
H63A H 0.2690 0.3329 0.3078 0.037 Uiso 1 1 calc R . .
H63B H 0.2586 0.2602 0.2316 0.037 Uiso 1 1 calc R . .
C1LA C 1.2616(5) -0.0931(5) 0.5062(4) 0.0267(12) Uani 0.660(8) 1 d P A 1
H1LA H 1.2824 -0.1142 0.5539 0.032 Uiso 0.660(8) 1 d PR A 1
Cl3A Cl 1.2217(2) 0.0152(2) 0.51693(19) 0.0386(6) Uani 0.660(8) 1 d P A 1
C1L' C 1.2489(10) -0.0614(11) 0.4597(8) 0.030(3) Uani 0.340(8) 1 d P A 2
H1LE H 1.2291 -0.0379 0.4131 0.036 Uiso 0.340(8) 1 d PR A 2
Cl3' Cl 1.2359(7) 0.0022(6) 0.5395(4) 0.0544(18) Uani 0.340(8) 1 d P A 2
Cl1A Cl 1.15659(12) -0.19124(11) 0.43559(9) 0.0488(3) Uani 1 1 d . . .
Cl2A Cl 1.37334(11) -0.07171(15) 0.48002(10) 0.0558(4) Uani 1 1 d . . .
C1LX C 0.9877(11) 0.2648(10) 0.0285(7) 0.046(3) Uani 0.50 1 d P B 1
H1LC H 1.0233 0.2507 0.0776 0.055 Uiso 0.50 1 calc PR B 1
Cl1X Cl 0.8564(2) 0.2135(3) 0.0003(2) 0.0548(8) Uani 0.50 1 d P B 1
Cl2X Cl 1.0223(3) 0.3973(3) 0.0437(2) 0.0579(8) Uani 0.50 1 d P B 1
Cl3X Cl 1.0417(4) 0.2170(4) -0.0340(4) 0.0884(14) Uani 0.50 1 d P B 1
C1LY C 0.9980(10) 0.1058(11) 0.0307(8) 0.052(3) Uani 0.50 1 d P . 2
H1LD H 1.0266 0.1223 0.0846 0.062 Uiso 0.50 1 d PR . 2
Cl1Y Cl 1.0090(4) 0.2161(4) 0.0056(2) 0.0731(11) Uani 0.50 1 d P C 2
Cl2Y Cl 1.0721(3) 0.0365(3) -0.0013(2) 0.0611(8) Uani 0.50 1 d P . 2
Cl3Y Cl 0.8644(3) 0.0317(5) -0.0029(3) 0.0848(16) Uani 0.50 1 d P . 2
C1D C 0.7334(10) 0.2970(9) -0.1754(9) 0.077(3) Uani 0.67 1 d P . .
H1DA H 0.6796 0.3328 -0.1732 0.092 Uiso 0.67 1 calc PR . .
Cl1D Cl 0.8497(2) 0.3730(2) -0.1228(3) 0.0815(10) Uani 0.67 1 d P . .
Cl2D Cl 0.7036(3) 0.1868(2) -0.1468(3) 0.0960(12) Uani 0.67 1 d P . .
Cl3D Cl 0.7163(3) 0.2568(4) -0.2762(3) 0.1026(14) Uani 0.67 1 d P . .
C1LF C 0.1523(8) 0.0389(8) 0.2541(5) 0.53(3) Uani 1 1 d D D 1
H1LB H 0.1046 0.0830 0.2504 0.631 Uiso 1 1 calc R D 1
Cl1F Cl 0.2701(2) 0.0933(3) 0.33585(17) 0.0540(8) Uani 0.560(5) 1 d PD D 1
Cl2F Cl 0.1859(3) 0.0233(2) 0.17512(18) 0.0619(9) Uani 0.560(5) 1 d PD D 1
Cl3F Cl 0.0884(3) -0.0787(4) 0.2580(3) 0.0948(17) Uani 0.560(5) 1 d PD D 1
Cl1T Cl 0.1970(12) 0.0287(14) 0.3279(10) 0.213(7) Uani 0.440(5) 1 d P D 2
Cl2T Cl 0.2698(14) 0.0560(16) 0.2727(19) 0.306(15) Uani 0.440(5) 1 d P D 2
Cl3T Cl 0.112(2) -0.073(2) 0.2032(16) 0.404(18) Uani 0.440(5) 1 d P D 2
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
C48 Rh1 C49 39.11(19) . . ?
C48 Rh1 C53 81.67(16) . . ?
C49 Rh1 C53 94.34(17) . . ?
C48 Rh1 C52 92.39(16) . . ?
C49 Rh1 C52 81.14(16) . . ?
C53 Rh1 C52 36.3(2) . . ?
C48 Rh1 P1 91.17(11) . . ?
C49 Rh1 P1 94.63(11) . . ?
C53 Rh1 P1 155.58(16) . . ?
C52 Rh1 P1 168.15(16) . . ?
C48 Rh1 Cl1 157.41(14) . . ?
C49 Rh1 Cl1 163.28(14) . . ?
C53 Rh1 Cl1 89.24(12) . . ?
C52 Rh1 Cl1 92.35(12) . . ?
P1 Rh1 Cl1 88.67(4) . . ?
C24 P1 C35 91.0(2) . . ?
C24 P1 C8 104.17(18) . . ?
C35 P1 C8 103.86(17) . . ?
C24 P1 Rh1 110.83(14) . . ?
C35 P1 Rh1 120.25(14) . . ?
C8 P1 Rh1 121.55(12) . . ?
O1 C1 O2 101.2(2) . . ?
O1 C1 C13 108.2(3) . . ?
O2 C1 C13 108.5(3) . . ?
O1 C1 C2 108.7(3) . . ?
O2 C1 C2 107.2(3) . . ?
C13 C1 C2 121.2(3) . . ?
C9 O1 C1 114.7(2) . . ?
C57 Rh2 C56 38.94(15) . . ?
C57 Rh2 C61 97.45(16) . . ?
C56 Rh2 C61 81.53(15) . . ?
C57 Rh2 C60 80.99(15) . . ?
C56 Rh2 C60 88.48(14) . . ?
C61 Rh2 C60 36.14(18) . . ?
C57 Rh2 P2 94.58(10) . . ?
C56 Rh2 P2 92.50(10) . . ?
C61 Rh2 P2 152.16(13) . . ?
C60 Rh2 P2 171.65(13) . . ?
C57 Rh2 Cl2 158.29(10) . . ?
C56 Rh2 Cl2 162.56(12) . . ?
C61 Rh2 Cl2 89.58(12) . . ?
C60 Rh2 Cl2 93.16(11) . . ?
P2 Rh2 Cl2 88.39(3) . . ?
C47 P2 C36 90.77(16) . . ?
C47 P2 C19 105.35(16) . . ?
C36 P2 C19 106.13(15) . . ?
C47 P2 Rh2 108.66(11) . . ?
C36 P2 Rh2 120.32(11) . . ?
C19 P2 Rh2 120.59(10) . . ?
C1 C2 C3 116.4(3) . . ?
C20 O2 C1 113.3(3) . . ?
C4 C3 C2 109.8(3) . . ?
C4 C3 C11 110.5(3) . . ?
C2 C3 C11 107.8(3) . . ?
C4 C3 C10 108.8(3) . . ?
C2 C3 C10 112.1(3) . . ?
C11 C3 C10 107.8(3) . . ?
C5 C4 C9 118.0(3) . . ?
C5 C4 C3 120.3(3) . . ?
C9 C4 C3 121.7(3) . . ?
C6 C5 C4 122.9(3) . . ?
C5 C6 C7 117.2(3) . . ?
C5 C6 C12 122.1(3) . . ?
C7 C6 C12 120.7(4) . . ?
C8 C7 C6 121.8(3) . . ?
C7 C8 C9 119.2(3) . . ?
C7 C8 P1 120.8(3) . . ?
C9 C8 P1 120.0(3) . . ?
O1 C9 C4 122.7(3) . . ?
O1 C9 C8 116.5(3) . . ?
C4 C9 C8 120.8(3) . . ?
C1 C13 C14 115.9(3) . . ?
C15 C14 C22 109.0(4) . . ?
C15 C14 C13 110.7(3) . . ?
C22 C14 C13 107.9(4) . . ?
C15 C14 C21 108.8(3) . . ?
C22 C14 C21 109.4(5) . . ?
C13 C14 C21 111.0(4) . . ?
C16 C15 C20 117.6(3) . . ?
C16 C15 C14 120.8(3) . . ?
C20 C15 C14 121.6(3) . . ?
C15 C16 C17 122.9(3) . . ?
C18 C17 C16 117.7(3) . . ?
C18 C17 C23 121.7(3) . . ?
C16 C17 C23 120.4(3) . . ?
C19 C18 C17 121.3(3) . . ?
C18 C19 C20 119.6(3) . . ?
C18 C19 P2 121.7(3) . . ?
C20 C19 P2 118.4(3) . . ?
O2 C20 C19 117.3(3) . . ?
O2 C20 C15 121.9(3) . . ?
C19 C20 C15 120.8(3) . . ?
C25 C24 C29 121.8(5) . . ?
C25 C24 P1 127.6(4) . . ?
C29 C24 P1 110.6(4) . . ?
C24 C25 C26 116.9(7) . . ?
C27 C26 C25 120.7(8) . . ?
C28 C27 C26 122.0(5) . . ?
C27 C28 C29 119.9(7) . . ?
C28 C29 C24 118.7(7) . . ?
C28 C29 C30 127.6(6) . . ?
C24 C29 C30 113.8(4) . . ?
C35 C30 C31 118.3(7) . . ?
C35 C30 C29 113.5(5) . . ?
C31 C30 C29 128.2(6) . . ?
C32 C31 C30 120.6(6) . . ?
C31 C32 C33 120.8(6) . . ?
C32 C33 C34 119.2(8) . . ?
C35 C34 C33 120.0(5) . . ?
C34 C35 C30 121.1(5) . . ?
C34 C35 P1 128.0(3) . . ?
C30 C35 P1 110.9(4) . . ?
C37 C36 C41 121.2(3) . . ?
C37 C36 P2 127.9(3) . . ?
C41 C36 P2 110.8(3) . . ?
C38 C37 C36 118.6(4) . . ?
C37 C38 C39 120.6(4) . . ?
C40 C39 C38 120.8(3) . . ?
C39 C40 C41 119.5(4) . . ?
C40 C41 C36 119.3(4) . . ?
C40 C41 C42 127.3(3) . . ?
C36 C41 C42 113.5(3) . . ?
C43 C42 C47 119.4(3) . . ?
C43 C42 C41 127.4(3) . . ?
C47 C42 C41 113.2(3) . . ?
C44 C43 C42 119.3(4) . . ?
C43 C44 C45 121.2(4) . . ?
C44 C45 C46 120.4(4) . . ?
C45 C46 C47 119.0(4) . . ?
C46 C47 C42 120.6(3) . . ?
C46 C47 P2 127.8(3) . . ?
C42 C47 P2 111.5(3) . . ?
C49 C48 C55 123.1(4) . . ?
C49 C48 Rh1 71.0(2) . . ?
C55 C48 Rh1 113.0(3) . . ?
C48 C49 C50 126.0(5) . . ?
C48 C49 Rh1 69.9(2) . . ?
C50 C49 Rh1 112.1(3) . . ?
C51 C50 C49 116.2(5) . . ?
C50 C51 C52 116.4(5) . . ?
C53 C52 C51 122.1(6) . . ?
C53 C52 Rh1 71.4(3) . . ?
C51 C52 Rh1 109.9(3) . . ?
C52 C53 C54 125.9(6) . . ?
C52 C53 Rh1 72.3(2) . . ?
C54 C53 Rh1 107.6(3) . . ?
C55 C54 C53 118.2(4) . . ?
C54 C55 C48 115.3(4) . . ?
C57 C56 C63 123.8(4) . . ?
C57 C56 Rh2 69.7(2) . . ?
C63 C56 Rh2 113.7(3) . . ?
C56 C57 C58 125.8(3) . . ?
C56 C57 Rh2 71.3(2) . . ?
C58 C57 Rh2 110.7(3) . . ?
C57 C58 C59 113.2(4) . . ?
C60 C59 C58 112.0(3) . . ?
C61 C60 C59 125.5(4) . . ?
C61 C60 Rh2 70.4(2) . . ?
C59 C60 Rh2 111.2(3) . . ?
C60 C61 C62 126.1(4) . . ?
C60 C61 Rh2 73.4(2) . . ?
C62 C61 Rh2 107.1(3) . . ?
C61 C62 C63 113.0(4) . . ?
C56 C63 C62 111.4(3) . . ?
Cl3A C1LA Cl1A 109.6(3) . . ?
Cl3A C1LA Cl2A 109.7(4) . . ?
Cl1A C1LA Cl2A 109.4(4) . . ?
Cl2A C1L' Cl3' 111.3(8) . . ?
Cl2A C1L' Cl1A 107.8(7) . . ?
Cl3' C1L' Cl1A 103.2(8) . . ?
C1LA Cl1A C1L' 33.6(5) . . ?
C1L' Cl2A C1LA 35.4(5) . . ?
Cl1X C1LX Cl3X 114.1(8) . . ?
Cl1X C1LX Cl2X 112.4(7) . . ?
Cl3X C1LX Cl2X 107.2(7) . . ?
Cl1Y C1LY Cl2Y 111.0(8) . . ?
Cl1Y C1LY Cl3Y 112.4(7) . . ?
Cl2Y C1LY Cl3Y 109.6(8) . . ?
Cl1Y C1LY Cl2Y 147.2(8) . 2_755 ?
Cl2Y C1LY Cl2Y 68.8(6) . 2_755 ?
Cl3Y C1LY Cl2Y 45.2(4) . 2_755 ?
Cl3Y Cl2Y C1LY 154.5(6) 2_755 . ?
Cl3Y Cl2Y C1LY 61.3(4) 2_755 2_755 ?
C1LY Cl2Y C1LY 111.2(6) . 2_755 ?
Cl3Y Cl2Y Cl2Y 108.1(4) 2_755 2_755 ?
C1LY Cl2Y Cl2Y 59.8(5) . 2_755 ?
C1LY Cl2Y Cl2Y 51.4(4) 2_755 2_755 ?
Cl2Y Cl3Y C1LY 73.5(5) 2_755 . ?
Cl1D C1D Cl2D 113.8(8) . . ?
Cl1D C1D Cl3D 112.1(6) . . ?
Cl2D C1D Cl3D 106.9(7) . . ?
Cl3F C1LF Cl2F 108.7(6) . . ?
Cl3F C1LF Cl1F 109.3(6) . . ?
Cl2F C1LF Cl1F 108.6(6) . . ?
Cl2T Cl1T Cl3T 67.7(12) . . ?
Cl1T Cl2T Cl3T 68.4(10) . . ?
Cl2T Cl3T Cl1T 43.9(9) . . ?
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 C48 2.111(4) . ?
Rh1 C49 2.126(4) . ?
Rh1 C53 2.207(4) . ?
Rh1 C52 2.218(4) . ?
Rh1 P1 2.2945(10) . ?
Rh1 Cl1 2.3724(11) . ?
P1 C24 1.817(4) . ?
P1 C35 1.829(5) . ?
P1 C8 1.830(3) . ?
C1 O1 1.436(4) . ?
C1 O2 1.447(4) . ?
C1 C13 1.521(5) . ?
C1 C2 1.532(4) . ?
O1 C9 1.382(4) . ?
Rh2 C57 2.110(4) . ?
Rh2 C56 2.131(3) . ?
Rh2 C61 2.198(4) . ?
Rh2 C60 2.236(4) . ?
Rh2 P2 2.2974(9) . ?
Rh2 Cl2 2.3707(10) . ?
P2 C47 1.812(4) . ?
P2 C36 1.829(3) . ?
P2 C19 1.840(3) . ?
C2 C3 1.538(5) . ?
O2 C20 1.387(4) . ?
C3 C4 1.530(5) . ?
C3 C11 1.544(5) . ?
C3 C10 1.544(5) . ?
C4 C5 1.400(5) . ?
C4 C9 1.403(4) . ?
C5 C6 1.399(6) . ?
C6 C7 1.407(5) . ?
C6 C12 1.500(6) . ?
C7 C8 1.391(5) . ?
C8 C9 1.405(5) . ?
C13 C14 1.546(5) . ?
C14 C15 1.524(5) . ?
C14 C22 1.539(7) . ?
C14 C21 1.560(7) . ?
C15 C16 1.396(5) . ?
C15 C20 1.412(5) . ?
C16 C17 1.402(5) . ?
C17 C18 1.398(5) . ?
C17 C23 1.510(5) . ?
C18 C19 1.393(5) . ?
C19 C20 1.398(5) . ?
C24 C25 1.391(9) . ?
C24 C29 1.423(8) . ?
C25 C26 1.422(7) . ?
C26 C27 1.386(13) . ?
C27 C28 1.351(14) . ?
C28 C29 1.403(8) . ?
C29 C30 1.464(11) . ?
C30 C35 1.409(6) . ?
C30 C31 1.418(9) . ?
C31 C32 1.381(14) . ?
C32 C33 1.392(11) . ?
C33 C34 1.421(7) . ?
C34 C35 1.376(8) . ?
C36 C37 1.399(5) . ?
C36 C41 1.411(5) . ?
C37 C38 1.398(5) . ?
C38 C39 1.398(6) . ?
C39 C40 1.392(6) . ?
C40 C41 1.404(5) . ?
C41 C42 1.472(5) . ?
C42 C43 1.403(6) . ?
C42 C47 1.411(5) . ?
C43 C44 1.384(7) . ?
C44 C45 1.390(6) . ?
C45 C46 1.392(6) . ?
C46 C47 1.397(5) . ?
C48 C49 1.418(7) . ?
C48 C55 1.515(6) . ?
C49 C50 1.499(7) . ?
C50 C51 1.461(7) . ?
C51 C52 1.519(8) . ?
C52 C53 1.377(8) . ?
C53 C54 1.506(8) . ?
C54 C55 1.445(8) . ?
C56 C57 1.414(6) . ?
C56 C63 1.529(6) . ?
C57 C58 1.513(6) . ?
C58 C59 1.539(6) . ?
C59 C60 1.513(7) . ?
C60 C61 1.376(7) . ?
C61 C62 1.521(7) . ?
C62 C63 1.535(7) . ?
C1LA Cl3A 1.745(7) . ?
C1LA Cl1A 1.768(7) . ?
C1LA Cl2A 1.793(7) . ?
C1L' Cl2A 1.696(12) . ?
C1L' Cl3' 1.748(15) . ?
C1L' Cl1A 1.897(15) . ?
C1LX Cl1X 1.686(15) . ?
C1LX Cl3X 1.755(12) . ?
C1LX Cl2X 1.788(13) . ?
C1LY Cl1Y 1.719(16) . ?
C1LY Cl2Y 1.757(13) . ?
C1LY Cl3Y 1.777(14) . ?
C1LY Cl2Y 1.942(16) 2_755 ?
Cl2Y Cl3Y 1.439(7) 2_755 ?
Cl2Y C1LY 1.942(16) 2_755 ?
Cl2Y Cl2Y 2.096(8) 2_755 ?
Cl3Y Cl2Y 1.439(7) 2_755 ?
C1D Cl1D 1.624(15) . ?
C1D Cl2D 1.773(11) . ?
C1D Cl3D 1.877(15) . ?
C1LF Cl3F 1.755(9) . ?
C1LF Cl2F 1.756(9) . ?
C1LF Cl1F 1.772(8) . ?
Cl1T Cl2T 1.76(3) . ?
Cl1T Cl3T 2.36(3) . ?
Cl2T Cl3T 2.35(3) . ?
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
C48 Rh1 P1 C24 -79.0(2) . . . . ?
C49 Rh1 P1 C24 -118.0(2) . . . . ?
C53 Rh1 P1 C24 -6.8(4) . . . . ?
C52 Rh1 P1 C24 173.6(6) . . . . ?
Cl1 Rh1 P1 C24 78.5(2) . . . . ?
C48 Rh1 P1 C35 25.2(2) . . . . ?
C49 Rh1 P1 C35 -13.8(2) . . . . ?
C53 Rh1 P1 C35 97.4(3) . . . . ?
C52 Rh1 P1 C35 -82.3(6) . . . . ?
Cl1 Rh1 P1 C35 -177.41(17) . . . . ?
C48 Rh1 P1 C8 158.3(2) . . . . ?
C49 Rh1 P1 C8 119.3(2) . . . . ?
C53 Rh1 P1 C8 -129.5(3) . . . . ?
C52 Rh1 P1 C8 50.8(6) . . . . ?
Cl1 Rh1 P1 C8 -44.29(16) . . . . ?
O2 C1 O1 C9 167.4(3) . . . . ?
C13 C1 O1 C9 -78.6(3) . . . . ?
C2 C1 O1 C9 54.7(4) . . . . ?
C57 Rh2 P2 C47 -124.74(15) . . . . ?
C56 Rh2 P2 C47 -85.78(17) . . . . ?
C61 Rh2 P2 C47 -9.3(3) . . . . ?
C60 Rh2 P2 C47 177.6(7) . . . . ?
Cl2 Rh2 P2 C47 76.80(12) . . . . ?
C57 Rh2 P2 C36 -22.39(17) . . . . ?
C56 Rh2 P2 C36 16.58(18) . . . . ?
C61 Rh2 P2 C36 93.1(3) . . . . ?
C60 Rh2 P2 C36 -80.0(7) . . . . ?
Cl2 Rh2 P2 C36 179.15(14) . . . . ?
C57 Rh2 P2 C19 113.65(16) . . . . ?
C56 Rh2 P2 C19 152.61(18) . . . . ?
C61 Rh2 P2 C19 -130.9(3) . . . . ?
C60 Rh2 P2 C19 56.0(7) . . . . ?
Cl2 Rh2 P2 C19 -44.82(14) . . . . ?
O1 C1 C2 C3 -55.0(4) . . . . ?
O2 C1 C2 C3 -163.6(3) . . . . ?
C13 C1 C2 C3 71.2(4) . . . . ?
O1 C1 O2 C20 172.6(3) . . . . ?
C13 C1 O2 C20 58.9(3) . . . . ?
C2 C1 O2 C20 -73.6(3) . . . . ?
C1 C2 C3 C4 30.0(4) . . . . ?
C1 C2 C3 C11 150.5(3) . . . . ?
C1 C2 C3 C10 -91.1(4) . . . . ?
C2 C3 C4 C5 176.4(3) . . . . ?
C11 C3 C4 C5 57.6(5) . . . . ?
C10 C3 C4 C5 -60.5(4) . . . . ?
C2 C3 C4 C9 -5.8(5) . . . . ?
C11 C3 C4 C9 -124.6(4) . . . . ?
C10 C3 C4 C9 117.3(4) . . . . ?
C9 C4 C5 C6 -1.0(6) . . . . ?
C3 C4 C5 C6 176.9(4) . . . . ?
C4 C5 C6 C7 -0.9(6) . . . . ?
C4 C5 C6 C12 -178.8(4) . . . . ?
C5 C6 C7 C8 0.9(6) . . . . ?
C12 C6 C7 C8 178.8(4) . . . . ?
C6 C7 C8 C9 1.0(6) . . . . ?
C6 C7 C8 P1 -177.8(3) . . . . ?
C24 P1 C8 C7 -4.9(4) . . . . ?
C35 P1 C8 C7 -99.5(4) . . . . ?
Rh1 P1 C8 C7 121.0(3) . . . . ?
C24 P1 C8 C9 176.3(3) . . . . ?
C35 P1 C8 C9 81.6(3) . . . . ?
Rh1 P1 C8 C9 -57.9(3) . . . . ?
C1 O1 C9 C4 -33.3(5) . . . . ?
C1 O1 C9 C8 148.7(3) . . . . ?
C5 C4 C9 O1 -175.0(3) . . . . ?
C3 C4 C9 O1 7.1(5) . . . . ?
C5 C4 C9 C8 2.9(5) . . . . ?
C3 C4 C9 C8 -175.0(3) . . . . ?
C7 C8 C9 O1 175.1(3) . . . . ?
P1 C8 C9 O1 -6.0(5) . . . . ?
C7 C8 C9 C4 -2.9(6) . . . . ?
P1 C8 C9 C4 175.9(3) . . . . ?
O1 C1 C13 C14 -164.2(3) . . . . ?
O2 C1 C13 C14 -55.1(4) . . . . ?
C2 C1 C13 C14 69.4(5) . . . . ?
C1 C13 C14 C15 25.5(5) . . . . ?
C1 C13 C14 C22 144.7(4) . . . . ?
C1 C13 C14 C21 -95.5(4) . . . . ?
C22 C14 C15 C16 64.6(5) . . . . ?
C13 C14 C15 C16 -176.9(3) . . . . ?
C21 C14 C15 C16 -54.7(5) . . . . ?
C22 C14 C15 C20 -118.1(4) . . . . ?
C13 C14 C15 C20 0.4(5) . . . . ?
C21 C14 C15 C20 122.6(4) . . . . ?
C20 C15 C16 C17 0.3(5) . . . . ?
C14 C15 C16 C17 177.7(3) . . . . ?
C15 C16 C17 C18 -1.0(5) . . . . ?
C15 C16 C17 C23 -177.5(3) . . . . ?
C16 C17 C18 C19 0.7(5) . . . . ?
C23 C17 C18 C19 177.2(3) . . . . ?
C17 C18 C19 C20 0.3(5) . . . . ?
C17 C18 C19 P2 -173.8(2) . . . . ?
C47 P2 C19 C18 -11.2(3) . . . . ?
C36 P2 C19 C18 -106.6(3) . . . . ?
Rh2 P2 C19 C18 112.0(2) . . . . ?
C47 P2 C19 C20 174.7(2) . . . . ?
C36 P2 C19 C20 79.3(3) . . . . ?
Rh2 P2 C19 C20 -62.1(3) . . . . ?
C1 O2 C20 C19 145.4(3) . . . . ?
C1 O2 C20 C15 -35.5(4) . . . . ?
C18 C19 C20 O2 178.2(3) . . . . ?
P2 C19 C20 O2 -7.6(4) . . . . ?
C18 C19 C20 C15 -1.0(5) . . . . ?
P2 C19 C20 C15 173.3(2) . . . . ?
C16 C15 C20 O2 -178.4(3) . . . . ?
C14 C15 C20 O2 4.2(5) . . . . ?
C16 C15 C20 C19 0.7(5) . . . . ?
C14 C15 C20 C19 -176.7(3) . . . . ?
C35 P1 C24 C25 178.1(4) . . . . ?
C8 P1 C24 C25 73.5(4) . . . . ?
Rh1 P1 C24 C25 -58.8(4) . . . . ?
C35 P1 C24 C29 -1.2(3) . . . . ?
C8 P1 C24 C29 -105.8(3) . . . . ?
Rh1 P1 C24 C29 121.9(3) . . . . ?
C29 C24 C25 C26 1.4(7) . . . . ?
P1 C24 C25 C26 -177.8(4) . . . . ?
C24 C25 C26 C27 -1.1(8) . . . . ?
C25 C26 C27 C28 0.7(9) . . . . ?
C26 C27 C28 C29 -0.5(9) . . . . ?
C27 C28 C29 C24 0.8(8) . . . . ?
C27 C28 C29 C30 179.3(5) . . . . ?
C25 C24 C29 C28 -1.3(7) . . . . ?
P1 C24 C29 C28 178.0(4) . . . . ?
C25 C24 C29 C30 180.0(4) . . . . ?
P1 C24 C29 C30 -0.7(5) . . . . ?
C28 C29 C30 C35 -175.6(5) . . . . ?
C24 C29 C30 C35 3.0(6) . . . . ?
C28 C29 C30 C31 2.2(9) . . . . ?
C24 C29 C30 C31 -179.2(5) . . . . ?
C35 C30 C31 C32 1.5(9) . . . . ?
C29 C30 C31 C32 -176.2(6) . . . . ?
C30 C31 C32 C33 -0.3(10) . . . . ?
C31 C32 C33 C34 -0.5(10) . . . . ?
C32 C33 C34 C35 0.0(8) . . . . ?
C33 C34 C35 C30 1.2(6) . . . . ?
C33 C34 C35 P1 -178.9(4) . . . . ?
C31 C30 C35 C34 -2.0(7) . . . . ?
C29 C30 C35 C34 176.1(4) . . . . ?
C31 C30 C35 P1 178.1(4) . . . . ?
C29 C30 C35 P1 -3.8(5) . . . . ?
C24 P1 C35 C34 -177.0(4) . . . . ?
C8 P1 C35 C34 -72.1(4) . . . . ?
Rh1 P1 C35 C34 68.0(4) . . . . ?
C24 P1 C35 C30 2.9(3) . . . . ?
C8 P1 C35 C30 107.7(3) . . . . ?
Rh1 P1 C35 C30 -112.1(3) . . . . ?
C47 P2 C36 C37 -179.1(3) . . . . ?
C19 P2 C36 C37 -72.8(3) . . . . ?
Rh2 P2 C36 C37 68.7(3) . . . . ?
C47 P2 C36 C41 5.1(3) . . . . ?
C19 P2 C36 C41 111.3(2) . . . . ?
Rh2 P2 C36 C41 -107.2(2) . . . . ?
C41 C36 C37 C38 1.1(5) . . . . ?
P2 C36 C37 C38 -174.3(3) . . . . ?
C36 C37 C38 C39 0.3(5) . . . . ?
C37 C38 C39 C40 -1.0(6) . . . . ?
C38 C39 C40 C41 0.4(6) . . . . ?
C39 C40 C41 C36 1.0(5) . . . . ?
C39 C40 C41 C42 -179.0(4) . . . . ?
C37 C36 C41 C40 -1.8(5) . . . . ?
P2 C36 C41 C40 174.4(3) . . . . ?
C37 C36 C41 C42 178.2(3) . . . . ?
P2 C36 C41 C42 -5.6(4) . . . . ?
C40 C41 C42 C43 2.9(6) . . . . ?
C36 C41 C42 C43 -177.1(4) . . . . ?
C40 C41 C42 C47 -176.8(3) . . . . ?
C36 C41 C42 C47 3.1(4) . . . . ?
C47 C42 C43 C44 0.0(6) . . . . ?
C41 C42 C43 C44 -179.8(4) . . . . ?
C42 C43 C44 C45 0.6(7) . . . . ?
C43 C44 C45 C46 0.3(7) . . . . ?
C44 C45 C46 C47 -1.7(7) . . . . ?
C45 C46 C47 C42 2.3(6) . . . . ?
C45 C46 C47 P2 179.3(3) . . . . ?
C43 C42 C47 C46 -1.5(5) . . . . ?
C41 C42 C47 C46 178.3(3) . . . . ?
C43 C42 C47 P2 -178.9(3) . . . . ?
C41 C42 C47 P2 0.9(4) . . . . ?
C36 P2 C47 C46 179.4(3) . . . . ?
C19 P2 C47 C46 72.4(4) . . . . ?
Rh2 P2 C47 C46 -58.1(3) . . . . ?
C36 P2 C47 C42 -3.4(3) . . . . ?
C19 P2 C47 C42 -110.3(3) . . . . ?
Rh2 P2 C47 C42 119.1(2) . . . . ?
C53 Rh1 C48 C49 107.5(3) . . . . ?
C52 Rh1 C48 C49 72.8(3) . . . . ?
P1 Rh1 C48 C49 -95.9(2) . . . . ?
Cl1 Rh1 C48 C49 174.8(2) . . . . ?
C49 Rh1 C48 C55 -118.8(5) . . . . ?
C53 Rh1 C48 C55 -11.2(4) . . . . ?
C52 Rh1 C48 C55 -46.0(4) . . . . ?
P1 Rh1 C48 C55 145.3(4) . . . . ?
Cl1 Rh1 C48 C55 56.0(5) . . . . ?
C55 C48 C49 C50 2.3(7) . . . . ?
Rh1 C48 C49 C50 -103.2(5) . . . . ?
C55 C48 C49 Rh1 105.6(4) . . . . ?
C53 Rh1 C49 C48 -71.1(3) . . . . ?
C52 Rh1 C49 C48 -105.0(3) . . . . ?
P1 Rh1 C49 C48 86.1(2) . . . . ?
Cl1 Rh1 C49 C48 -173.0(3) . . . . ?
C48 Rh1 C49 C50 121.8(5) . . . . ?
C53 Rh1 C49 C50 50.7(5) . . . . ?
C52 Rh1 C49 C50 16.8(5) . . . . ?
P1 Rh1 C49 C50 -152.0(4) . . . . ?
Cl1 Rh1 C49 C50 -51.2(7) . . . . ?
C48 C49 C50 C51 57.1(10) . . . . ?
Rh1 C49 C50 C51 -23.5(9) . . . . ?
C49 C50 C51 C52 16.7(12) . . . . ?
C50 C51 C52 C53 -81.9(9) . . . . ?
C50 C51 C52 Rh1 -1.9(10) . . . . ?
C48 Rh1 C52 C53 72.4(3) . . . . ?
C49 Rh1 C52 C53 110.0(3) . . . . ?
P1 Rh1 C52 C53 180(21) . . . . ?
Cl1 Rh1 C52 C53 -85.5(3) . . . . ?
C48 Rh1 C52 C51 -45.9(6) . . . . ?
C49 Rh1 C52 C51 -8.3(5) . . . . ?
C53 Rh1 C52 C51 -118.3(6) . . . . ?
P1 Rh1 C52 C51 61.5(9) . . . . ?
Cl1 Rh1 C52 C51 156.2(5) . . . . ?
C51 C52 C53 C54 3.0(8) . . . . ?
Rh1 C52 C53 C54 -99.3(5) . . . . ?
C51 C52 C53 Rh1 102.3(4) . . . . ?
C48 Rh1 C53 C52 -105.7(3) . . . . ?
C49 Rh1 C53 C52 -68.6(3) . . . . ?
P1 Rh1 C53 C52 -179.9(2) . . . . ?
Cl1 Rh1 C53 C52 95.0(3) . . . . ?
C48 Rh1 C53 C54 17.3(5) . . . . ?
C49 Rh1 C53 C54 54.4(5) . . . . ?
C52 Rh1 C53 C54 123.0(6) . . . . ?
P1 Rh1 C53 C54 -56.9(6) . . . . ?
Cl1 Rh1 C53 C54 -141.9(5) . . . . ?
C52 C53 C54 C55 58.6(11) . . . . ?
Rh1 C53 C54 C55 -22.0(10) . . . . ?
C53 C54 C55 C48 13.9(12) . . . . ?
C49 C48 C55 C54 -79.2(9) . . . . ?
Rh1 C48 C55 C54 2.4(8) . . . . ?
C61 Rh2 C56 C57 113.1(2) . . . . ?
C60 Rh2 C56 C57 77.5(2) . . . . ?
P2 Rh2 C56 C57 -94.2(2) . . . . ?
Cl2 Rh2 C56 C57 173.2(3) . . . . ?
C57 Rh2 C56 C63 -119.1(4) . . . . ?
C61 Rh2 C56 C63 -6.0(3) . . . . ?
C60 Rh2 C56 C63 -41.6(3) . . . . ?
P2 Rh2 C56 C63 146.7(3) . . . . ?
Cl2 Rh2 C56 C63 54.1(5) . . . . ?
C63 C56 C57 C58 3.0(6) . . . . ?
Rh2 C56 C57 C58 -102.5(4) . . . . ?
C63 C56 C57 Rh2 105.5(4) . . . . ?
C61 Rh2 C57 C56 -66.5(2) . . . . ?
C60 Rh2 C57 C56 -98.8(2) . . . . ?
P2 Rh2 C57 C56 88.3(2) . . . . ?
Cl2 Rh2 C57 C56 -174.5(2) . . . . ?
C56 Rh2 C57 C58 122.2(4) . . . . ?
C61 Rh2 C57 C58 55.7(3) . . . . ?
C60 Rh2 C57 C58 23.4(3) . . . . ?
P2 Rh2 C57 C58 -149.5(3) . . . . ?
Cl2 Rh2 C57 C58 -52.3(4) . . . . ?
C56 C57 C58 C59 43.0(5) . . . . ?
Rh2 C57 C58 C59 -38.4(4) . . . . ?
C57 C58 C59 C60 33.9(5) . . . . ?
C58 C59 C60 C61 -93.8(5) . . . . ?
C58 C59 C60 Rh2 -13.3(4) . . . . ?
C57 Rh2 C60 C61 116.1(3) . . . . ?
C56 Rh2 C60 C61 77.7(3) . . . . ?
P2 Rh2 C60 C61 174.5(6) . . . . ?
Cl2 Rh2 C60 C61 -85.0(2) . . . . ?
C57 Rh2 C60 C59 -5.5(3) . . . . ?
C56 Rh2 C60 C59 -43.9(3) . . . . ?
C61 Rh2 C60 C59 -121.6(4) . . . . ?
P2 Rh2 C60 C59 53.0(8) . . . . ?
Cl2 Rh2 C60 C59 153.5(3) . . . . ?
C59 C60 C61 C62 3.3(6) . . . . ?
Rh2 C60 C61 C62 -99.3(4) . . . . ?
C59 C60 C61 Rh2 102.6(4) . . . . ?
C57 Rh2 C61 C60 -63.5(3) . . . . ?
C56 Rh2 C61 C60 -99.1(3) . . . . ?
P2 Rh2 C61 C60 -178.30(19) . . . . ?
Cl2 Rh2 C61 C60 95.9(2) . . . . ?
C57 Rh2 C61 C62 60.0(4) . . . . ?
C56 Rh2 C61 C62 24.4(3) . . . . ?
C60 Rh2 C61 C62 123.5(5) . . . . ?
P2 Rh2 C61 C62 -54.8(5) . . . . ?
Cl2 Rh2 C61 C62 -140.6(3) . . . . ?
C60 C61 C62 C63 41.9(6) . . . . ?
Rh2 C61 C62 C63 -39.7(5) . . . . ?
C57 C56 C63 C62 -94.6(5) . . . . ?
Rh2 C56 C63 C62 -14.0(5) . . . . ?
C61 C62 C63 C56 36.3(6) . . . . ?
Cl3A C1LA Cl1A C1L' 58.8(7) . . . . ?
Cl2A C1LA Cl1A C1L' -61.5(7) . . . . ?
Cl2A C1L' Cl1A C1LA 66.9(7) . . . . ?
Cl3' C1L' Cl1A C1LA -51.0(7) . . . . ?
Cl3' C1L' Cl2A C1LA 52.6(8) . . . . ?
Cl1A C1L' Cl2A C1LA -59.9(8) . . . . ?
Cl3A C1LA Cl2A C1L' -50.7(8) . . . . ?
Cl1A C1LA Cl2A C1L' 69.6(9) . . . . ?
Cl1Y C1LY Cl2Y Cl3Y 147.8(10) . . . 2_755 ?
Cl3Y C1LY Cl2Y Cl3Y -87.5(14) . . . 2_755 ?
Cl2Y C1LY Cl2Y Cl3Y -67.4(13) 2_755 . . 2_755 ?
Cl1Y C1LY Cl2Y C1LY -144.8(9) . . . 2_755 ?
Cl3Y C1LY Cl2Y C1LY -20.0(5) . . . 2_755 ?
Cl2Y C1LY Cl2Y C1LY 0.0 2_755 . . 2_755 ?
Cl1Y C1LY Cl2Y Cl2Y -144.8(9) . . . 2_755 ?
Cl3Y C1LY Cl2Y Cl2Y -20.0(5) . . . 2_755 ?
Cl1Y C1LY Cl3Y Cl2Y 150.7(9) . . . 2_755 ?
Cl2Y C1LY Cl3Y Cl2Y 26.7(7) . . . 2_755 ?
