#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:57:53 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179997 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/91/7029126.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_7029126
loop_
_publ_author_name
'Coetzee, Jacorien'
'Eastham, Graham R.'
'Slawin, Alexandra M. Z.'
'Cole-Hamilton, David J'
_publ_section_title
;
 Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their
 synthesis and ligand rearrangements.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3479
_journal_page_last               3491
_journal_paper_doi               10.1039/c3dt52552j
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C68 H69 Cl O4 P3 Rh, 4(C H2 Cl2)'
_chemical_formula_sum            'C72 H77 Cl9 O4 P3 Rh'
_chemical_formula_weight         1521.30
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                93.707(8)
_cell_angle_beta                 91.581(6)
_cell_angle_gamma                93.876(10)
_cell_formula_units_Z            2
_cell_length_a                   12.273(4)
_cell_length_b                   14.006(3)
_cell_length_c                   20.777(6)
_cell_measurement_reflns_used    12316
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.29
_cell_volume                     3554.0(17)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 rc13'
_computing_data_collection
'CrystalClear-SM Expert 2.0 rc13 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 rc13'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 14.629
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.957
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21972
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.363
_diffrn_reflns_theta_min         2.289
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1568.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         4.460
_refine_diff_density_min         -2.570
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     811
_refine_ls_number_reflns         12379
_refine_ls_number_restraints     42
_refine_ls_R_factor_gt           0.0971
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1655P)²+37.0554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2744
_reflns_number_gt                10710
_reflns_number_total             12379
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c3dt52552j.txt
_cod_data_source_block           25
_cod_original_cell_volume        3553.8(15)
_cod_database_code               7029126
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.26917(4) 0.11169(3) 0.26960(2) 0.01639(18) Uani 1.0 2 d .
Cl1 Cl 0.19980(14) -0.05083(11) 0.27632(8) 0.0248(4) Uani 1.0 2 d .
Cl2 Cl -0.0915(3) 0.8087(4) 0.35420(17) 0.0948(13) Uani 1.0 2 d .
Cl3 Cl 0.0559(2) 0.73550(17) 0.44469(13) 0.0588(7) Uani 1.0 2 d .
Cl4 Cl 0.5994(3) 0.9293(2) 0.03861(14) 0.0652(8) Uani 1.0 2 d .
Cl5 Cl 0.7641(3) 0.8323(2) 0.10865(14) 0.0665(8) Uani 1.0 2 d .
Cl6 Cl 0.4795(4) 0.6902(4) 0.0866(3) 0.1016(12) Uani 1.0 2 d .
Cl7A Cl 0.2948(11) 0.5744(10) 0.0141(7) 0.146(4) Uiso 0.5000 2 d .
Cl7B Cl 0.4428(12) 0.5044(11) 0.0310(8) 0.170(5) Uiso 0.5000 2 d .
Cl8 Cl 0.7729(4) 0.6446(4) 0.2027(3) 0.1125(14) Uani 1.0 2 d .
Cl9 Cl 0.8290(5) 0.4919(4) 0.1129(3) 0.1394(19) Uani 1.0 2 d .
P1 P 0.31599(13) 0.26166(11) 0.26869(8) 0.0162(4) Uani 1.0 2 d .
P2 P 0.38006(13) 0.07612(11) 0.35629(8) 0.0178(4) Uani 1.0 2 d .
P3 P 0.13968(13) 0.10666(12) 0.18680(8) 0.0189(4) Uani 1.0 2 d .
O1 O 0.2162(4) 0.3249(3) 0.2448(2) 0.0178(9) Uani 1.0 2 d .
O2 O 0.2870(5) 0.4416(4) 0.1824(3) 0.0368(13) Uani 1.0 2 d .
O3 O 0.3471(4) 0.3153(3) 0.3389(2) 0.0163(9) Uani 1.0 2 d .
O4 O 0.4107(4) 0.3010(3) 0.2233(2) 0.0200(10) Uani 1.0 2 d .
C1 C 0.2136(6) 0.4109(5) 0.2136(4) 0.0240(15) Uani 1.0 2 d .
C2 C 0.1053(7) 0.4505(6) 0.2249(4) 0.0322(17) Uani 1.0 2 d .
C3 C 0.0940(8) 0.5480(6) 0.1979(4) 0.040(2) Uani 1.0 2 d .
C4 C 0.0787(10) 0.6255(7) 0.2390(6) 0.059(3) Uani 1.0 2 d .
C5 C 0.0676(10) 0.7159(7) 0.2170(6) 0.060(3) Uani 1.0 2 d .
C6 C 0.0791(13) 0.7283(9) 0.1554(6) 0.079(4) Uani 1.0 2 d .
C7 C 0.1048(16) 0.6568(10) 0.1120(8) 0.100(6) Uani 1.0 2 d .
C8 C 0.1149(14) 0.5657(8) 0.1343(6) 0.079(5) Uani 1.0 2 d .
C9 C 0.3473(5) 0.4160(5) 0.3447(3) 0.0189(13) Uani 1.0 2 d .
C10 C 0.2674(6) 0.4592(5) 0.3813(3) 0.0197(14) Uani 1.0 2 d .
C11 C 0.2657(6) 0.5584(5) 0.3769(4) 0.0215(14) Uani 1.0 2 d .
C12 C 0.3359(6) 0.6113(5) 0.3381(4) 0.0213(14) Uani 1.0 2 d .
C13 C 0.4166(6) 0.5654(5) 0.3054(4) 0.0219(14) Uani 1.0 2 d .
C14 C 0.4271(6) 0.4674(5) 0.3123(3) 0.0196(14) Uani 1.0 2 d .
C15 C 0.5149(6) 0.3423(5) 0.2418(3) 0.0191(13) Uani 1.0 2 d .
C16 C 0.6049(6) 0.3047(5) 0.2112(4) 0.0227(14) Uani 1.0 2 d .
C17 C 0.7070(6) 0.3440(5) 0.2346(4) 0.0249(15) Uani 1.0 2 d .
C18 C 0.7216(6) 0.4161(5) 0.2835(4) 0.0250(15) Uani 1.0 2 d .
C19 C 0.6302(6) 0.4553(5) 0.3104(4) 0.0235(14) Uani 1.0 2 d .
C20 C 0.5250(6) 0.4201(5) 0.2873(4) 0.0206(14) Uani 1.0 2 d .
C21 C 0.1919(6) 0.4042(5) 0.4265(4) 0.0222(14) Uani 1.0 2 d .
C22 C 0.1246(7) 0.4722(6) 0.4674(4) 0.0333(18) Uani 1.0 2 d .
C23 C 0.2625(6) 0.3514(5) 0.4734(4) 0.0255(15) Uani 1.0 2 d .
C24 C 0.1099(6) 0.3314(5) 0.3894(4) 0.0256(15) Uani 1.0 2 d .
C25 C 0.3237(7) 0.7178(5) 0.3343(4) 0.0288(16) Uani 1.0 2 d .
C26 C 0.4898(7) 0.6214(6) 0.2608(4) 0.0304(17) Uani 1.0 2 d .
C27 C 0.6471(7) 0.5301(6) 0.3661(4) 0.0332(17) Uani 1.0 2 d .
C28 C 0.8361(6) 0.4484(6) 0.3092(4) 0.0324(17) Uani 1.0 2 d .
C29 C 0.5933(6) 0.2280(5) 0.1548(4) 0.0259(15) Uani 1.0 2 d .
C30 C 0.5290(7) 0.2696(6) 0.0993(4) 0.0344(18) Uani 1.0 2 d .
C31 C 0.5361(7) 0.1336(5) 0.1751(4) 0.0310(17) Uani 1.0 2 d .
C32 C 0.7051(7) 0.2032(6) 0.1294(4) 0.0338(18) Uani 1.0 2 d .
C33 C 0.1252(6) 0.2004(5) 0.1301(4) 0.0238(15) Uani 1.0 2 d .
C34 C 0.2185(7) 0.2276(6) 0.0960(4) 0.0333(17) Uani 1.0 2 d .
C35 C 0.2135(8) 0.2941(6) 0.0488(4) 0.042(2) Uani 1.0 2 d .
C36 C 0.1169(8) 0.3320(6) 0.0345(4) 0.042(2) Uani 1.0 2 d .
C37 C 0.0246(8) 0.3054(6) 0.0672(4) 0.0370(19) Uani 1.0 2 d .
C38 C 0.0285(7) 0.2394(6) 0.1150(4) 0.0320(17) Uani 1.0 2 d .
C39 C 0.0064(6) 0.0933(5) 0.2230(4) 0.0225(14) Uani 1.0 2 d .
C40 C -0.0256(6) 0.1719(6) 0.2615(4) 0.0280(16) Uani 1.0 2 d .
C41 C -0.1207(7) 0.1634(6) 0.2957(4) 0.0334(17) Uani 1.0 2 d .
C42 C -0.1867(7) 0.0790(6) 0.2920(5) 0.0369(19) Uani 1.0 2 d .
C43 C -0.1556(7) 0.0015(6) 0.2539(5) 0.040(2) Uani 1.0 2 d .
C44 C -0.0589(6) 0.0077(6) 0.2201(4) 0.0308(17) Uani 1.0 2 d .
C45 C 0.1483(6) 0.0067(5) 0.1261(4) 0.0227(14) Uani 1.0 2 d .
C46 C 0.0595(7) -0.0230(6) 0.0835(4) 0.0285(16) Uani 1.0 2 d .
C47 C 0.0700(7) -0.0952(6) 0.0356(4) 0.0354(18) Uani 1.0 2 d .
C48 C 0.1695(7) -0.1351(6) 0.0283(4) 0.038(2) Uani 1.0 2 d .
C49 C 0.2591(7) -0.1043(6) 0.0689(4) 0.0363(18) Uani 1.0 2 d .
C50 C 0.2478(6) -0.0341(6) 0.1175(4) 0.0293(16) Uani 1.0 2 d .
C51 C 0.4753(5) 0.1631(5) 0.4032(4) 0.0191(13) Uani 1.0 2 d .
C52 C 0.5648(6) 0.2040(5) 0.3725(4) 0.0248(15) Uani 1.0 2 d .
C53 C 0.6381(6) 0.2704(6) 0.4060(4) 0.0299(16) Uani 1.0 2 d .
C54 C 0.6217(7) 0.2970(6) 0.4702(4) 0.0311(17) Uani 1.0 2 d .
C55 C 0.5351(7) 0.2561(6) 0.5014(4) 0.0289(16) Uani 1.0 2 d .
C56 C 0.4616(6) 0.1887(5) 0.4686(4) 0.0232(14) Uani 1.0 2 d .
C57 C 0.4741(6) -0.0160(5) 0.3353(4) 0.0210(14) Uani 1.0 2 d .
C58 C 0.5521(6) -0.0413(5) 0.3813(4) 0.0243(15) Uani 1.0 2 d .
C59 C 0.6253(6) -0.1085(5) 0.3650(4) 0.0293(16) Uani 1.0 2 d .
C60 C 0.6249(6) -0.1499(6) 0.3020(4) 0.0310(17) Uani 1.0 2 d .
C61 C 0.5501(6) -0.1235(5) 0.2566(4) 0.0292(16) Uani 1.0 2 d .
C62 C 0.4741(6) -0.0588(5) 0.2732(4) 0.0244(15) Uani 1.0 2 d .
C63 C 0.2921(6) 0.0315(5) 0.4193(4) 0.0207(14) Uani 1.0 2 d .
C64 C 0.3124(6) -0.0475(5) 0.4547(4) 0.0240(15) Uani 1.0 2 d .
C65 C 0.2457(6) -0.0705(6) 0.5058(4) 0.0296(16) Uani 1.0 2 d .
C66 C 0.1596(6) -0.0153(6) 0.5218(4) 0.0321(17) Uani 1.0 2 d .
C67 C 0.1380(6) 0.0618(6) 0.4859(4) 0.0312(17) Uani 1.0 2 d .
C68 C 0.2030(6) 0.0844(5) 0.4347(4) 0.0263(15) Uani 1.0 2 d .
C69 C 0.0428(5) 0.8218(7) 0.3874(5) 0.062(3) Uani 1.0 2 d .
C70 C 0.7397(5) 0.9282(7) 0.0604(6) 0.072(4) Uani 1.0 2 d .
C71 C 0.3834(11) 0.5904(8) 0.0828(7) 0.183(10) Uani 1.0 2 d .
C72 C 0.7197(7) 0.5566(10) 0.1426(7) 0.105(5) Uani 1.0 2 d .
H2A H 0.0937 0.4563 0.2719 0.0386 Uiso 1.0 2 calc R
H2B H 0.0472 0.4046 0.2049 0.0386 Uiso 1.0 2 calc R
H4 H 0.0755 0.6173 0.2840 0.0708 Uiso 1.0 2 calc R
H5 H 0.0520 0.7680 0.2461 0.0722 Uiso 1.0 2 calc R
H6 H 0.0691 0.7899 0.1404 0.0945 Uiso 1.0 2 calc R
H7 H 0.1155 0.6685 0.0680 0.1196 Uiso 1.0 2 calc R
H8 H 0.1364 0.5153 0.1056 0.0954 Uiso 1.0 2 calc R
H11 H 0.2143 0.5916 0.4015 0.0258 Uiso 1.0 2 calc R
H17 H 0.7702 0.3198 0.2159 0.0298 Uiso 1.0 2 calc R
H22A H 0.0751 0.5038 0.4391 0.0399 Uiso 1.0 2 calc R
H22B H 0.1738 0.5208 0.4914 0.0399 Uiso 1.0 2 calc R
H22C H 0.0819 0.4355 0.4978 0.0399 Uiso 1.0 2 calc R
H23A H 0.2161 0.3237 0.5060 0.0306 Uiso 1.0 2 calc R
H23B H 0.3186 0.3968 0.4946 0.0306 Uiso 1.0 2 calc R
H23C H 0.2977 0.3001 0.4493 0.0306 Uiso 1.0 2 calc R
H24A H 0.0648 0.3648 0.3597 0.0307 Uiso 1.0 2 calc R
H24B H 0.0630 0.2993 0.4201 0.0307 Uiso 1.0 2 calc R
H24C H 0.1496 0.2836 0.3649 0.0307 Uiso 1.0 2 calc R
H25A H 0.2951 0.7299 0.2913 0.0345 Uiso 1.0 2 calc R
H25B H 0.3952 0.7529 0.3422 0.0345 Uiso 1.0 2 calc R
H25C H 0.2731 0.7394 0.3670 0.0345 Uiso 1.0 2 calc R
H26A H 0.5471 0.6598 0.2866 0.0365 Uiso 1.0 2 calc R
H26B H 0.4460 0.6639 0.2367 0.0365 Uiso 1.0 2 calc R
H26C H 0.5234 0.5765 0.2305 0.0365 Uiso 1.0 2 calc R
H27A H 0.6864 0.5876 0.3516 0.0398 Uiso 1.0 2 calc R
H27B H 0.6898 0.5045 0.4008 0.0398 Uiso 1.0 2 calc R
H27C H 0.5760 0.5466 0.3822 0.0398 Uiso 1.0 2 calc R
H28A H 0.8893 0.4109 0.2863 0.0389 Uiso 1.0 2 calc R
H28B H 0.8417 0.4386 0.3554 0.0389 Uiso 1.0 2 calc R
H28C H 0.8512 0.5166 0.3025 0.0389 Uiso 1.0 2 calc R
H30A H 0.5722 0.3243 0.0835 0.0413 Uiso 1.0 2 calc R
H30B H 0.4596 0.2909 0.1151 0.0413 Uiso 1.0 2 calc R
H30C H 0.5146 0.2201 0.0640 0.0413 Uiso 1.0 2 calc R
H31A H 0.4645 0.1464 0.1923 0.0372 Uiso 1.0 2 calc R
H31B H 0.5809 0.1071 0.2084 0.0372 Uiso 1.0 2 calc R
H31C H 0.5263 0.0875 0.1375 0.0372 Uiso 1.0 2 calc R
H32A H 0.7454 0.1720 0.1626 0.0406 Uiso 1.0 2 calc R
H32B H 0.7466 0.2622 0.1190 0.0406 Uiso 1.0 2 calc R
H32C H 0.6945 0.1597 0.0905 0.0406 Uiso 1.0 2 calc R
H34 H 0.2856 0.2004 0.1051 0.0400 Uiso 1.0 2 calc R
H35 H 0.2774 0.3130 0.0267 0.0500 Uiso 1.0 2 calc R
H36 H 0.1133 0.3766 0.0021 0.0500 Uiso 1.0 2 calc R
H37 H -0.0424 0.3322 0.0572 0.0444 Uiso 1.0 2 calc R
H38 H -0.0358 0.2215 0.1370 0.0384 Uiso 1.0 2 calc R
H40 H 0.0179 0.2308 0.2642 0.0336 Uiso 1.0 2 calc R
H41 H -0.1411 0.2167 0.3222 0.0401 Uiso 1.0 2 calc R
H42 H -0.2522 0.0744 0.3153 0.0442 Uiso 1.0 2 calc R
H43 H -0.2006 -0.0567 0.2507 0.0483 Uiso 1.0 2 calc R
H44 H -0.0376 -0.0467 0.1950 0.0370 Uiso 1.0 2 calc R
H46 H -0.0077 0.0064 0.0876 0.0342 Uiso 1.0 2 calc R
H47 H 0.0093 -0.1171 0.0079 0.0424 Uiso 1.0 2 calc R
H48 H 0.1768 -0.1840 -0.0049 0.0462 Uiso 1.0 2 calc R
H49 H 0.3273 -0.1314 0.0632 0.0436 Uiso 1.0 2 calc R
H50 H 0.3085 -0.0134 0.1455 0.0351 Uiso 1.0 2 calc R
H52 H 0.5756 0.1865 0.3283 0.0298 Uiso 1.0 2 calc R
H53 H 0.6995 0.2975 0.3849 0.0358 Uiso 1.0 2 calc R
H54 H 0.6707 0.3438 0.4927 0.0373 Uiso 1.0 2 calc R
H55 H 0.5252 0.2740 0.5456 0.0347 Uiso 1.0 2 calc R
H56 H 0.4022 0.1601 0.4906 0.0278 Uiso 1.0 2 calc R
H58 H 0.5541 -0.0118 0.4239 0.0292 Uiso 1.0 2 calc R
H59 H 0.6760 -0.1266 0.3966 0.0352 Uiso 1.0 2 calc R
H60 H 0.6756 -0.1959 0.2904 0.0372 Uiso 1.0 2 calc R
H61 H 0.5510 -0.1504 0.2135 0.0351 Uiso 1.0 2 calc R
H62 H 0.4215 -0.0434 0.2418 0.0293 Uiso 1.0 2 calc R
H64 H 0.3714 -0.0855 0.4440 0.0288 Uiso 1.0 2 calc R
H65 H 0.2595 -0.1243 0.5297 0.0355 Uiso 1.0 2 calc R
H66 H 0.1157 -0.0302 0.5573 0.0386 Uiso 1.0 2 calc R
H67 H 0.0784 0.0992 0.4965 0.0374 Uiso 1.0 2 calc R
H68 H 0.1866 0.1365 0.4098 0.0315 Uiso 1.0 2 calc R
H69A H 0.0959 0.8124 0.3529 0.0747 Uiso 1.0 2 calc R
H69B H 0.0578 0.8871 0.4083 0.0747 Uiso 1.0 2 calc R
H70A H 0.7826 0.9223 0.0208 0.0866 Uiso 1.0 2 calc R
H70B H 0.7643 0.9896 0.0843 0.0866 Uiso 1.0 2 calc R
H72A H 0.6646 0.5124 0.1613 0.1263 Uiso 1.0 2 calc R
H72B H 0.6840 0.5878 0.1071 0.1263 Uiso 1.0 2 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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl1 Rh1 P1 173.88(7) yes . .
Cl1 Rh1 P2 82.62(6) yes . .
Cl1 Rh1 P3 82.30(6) yes . .
P1 Rh1 P2 98.60(6) yes . .
P1 Rh1 P3 96.29(7) yes . .
P2 Rh1 P3 164.89(6) yes . .
Cl7B Cl7A C71 52.7(7) yes . .
Cl7A Cl7B Cl7B 123.5(10) yes . 2_665
Cl7A Cl7B C71 52.4(7) yes . .
Cl7B Cl7B C71 140.3(11) yes 2_665 .
Rh1 P1 O1 113.12(17) yes . .
Rh1 P1 O3 114.97(18) yes . .
Rh1 P1 O4 121.55(18) yes . .
O1 P1 O3 100.6(3) yes . .
O1 P1 O4 99.5(3) yes . .
O3 P1 O4 104.1(3) yes . .
Rh1 P2 C51 125.1(3) yes . .
Rh1 P2 C57 113.3(3) yes . .
Rh1 P2 C63 108.3(3) yes . .
C51 P2 C57 99.2(3) yes . .
C51 P2 C63 101.7(3) yes . .
C57 P2 C63 107.7(3) yes . .
Rh1 P3 C33 125.2(3) yes . .
Rh1 P3 C39 107.0(3) yes . .
Rh1 P3 C45 114.3(3) yes . .
C33 P3 C39 104.3(4) yes . .
C33 P3 C45 96.8(3) yes . .
C39 P3 C45 107.8(3) yes . .
P1 O1 C1 133.2(5) yes . .
P1 O3 C9 117.7(4) yes . .
P1 O4 C15 128.2(4) yes . .
O1 C1 O2 123.2(7) yes . .
O1 C1 C2 108.0(6) yes . .
O2 C1 C2 128.8(7) yes . .
C1 C2 C3 113.7(7) yes . .
C2 C3 C4 119.4(8) yes . .
C2 C3 C8 122.9(8) yes . .
C4 C3 C8 117.0(9) yes . .
C3 C4 C5 121.8(11) yes . .
C4 C5 C6 119.0(11) yes . .
C5 C6 C7 122.9(12) yes . .
C6 C7 C8 117.9(13) yes . .
C3 C8 C7 120.7(11) yes . .
O3 C9 C10 119.2(6) yes . .
O3 C9 C14 117.2(6) yes . .
C10 C9 C14 123.5(6) yes . .
C9 C10 C11 114.6(6) yes . .
C9 C10 C21 123.3(6) yes . .
C11 C10 C21 121.9(6) yes . .
C10 C11 C12 123.4(7) yes . .
C11 C12 C13 119.3(7) yes . .
C11 C12 C25 119.2(7) yes . .
C13 C12 C25 121.5(7) yes . .
C12 C13 C14 119.3(7) yes . .
C12 C13 C26 119.5(6) yes . .
C14 C13 C26 121.2(6) yes . .
C9 C14 C13 118.9(6) yes . .
C9 C14 C20 120.8(6) yes . .
C13 C14 C20 120.3(6) yes . .
O4 C15 C16 117.6(6) yes . .
O4 C15 C20 119.4(6) yes . .
C16 C15 C20 123.0(6) yes . .
C15 C16 C17 115.2(6) yes . .
C15 C16 C29 123.1(6) yes . .
C17 C16 C29 121.7(7) yes . .
C16 C17 C18 123.9(7) yes . .
C17 C18 C19 119.3(6) yes . .
C17 C18 C28 119.8(7) yes . .
C19 C18 C28 120.9(7) yes . .
C18 C19 C20 119.2(6) yes . .
C18 C19 C27 118.8(6) yes . .
C20 C19 C27 121.9(7) yes . .
C14 C20 C15 121.7(6) yes . .
C14 C20 C19 119.3(6) yes . .
C15 C20 C19 119.0(6) yes . .
C10 C21 C22 111.7(6) yes . .
C10 C21 C23 109.1(6) yes . .
C10 C21 C24 112.6(6) yes . .
C22 C21 C23 107.4(6) yes . .
C22 C21 C24 106.7(6) yes . .
C23 C21 C24 109.3(6) yes . .
C16 C29 C30 107.7(6) yes . .
C16 C29 C31 111.6(6) yes . .
C16 C29 C32 111.6(6) yes . .
C30 C29 C31 111.5(6) yes . .
C30 C29 C32 107.7(6) yes . .
C31 C29 C32 106.8(6) yes . .
P3 C33 C34 116.6(6) yes . .
P3 C33 C38 124.7(6) yes . .
C34 C33 C38 118.4(7) yes . .
C33 C34 C35 120.8(8) yes . .
C34 C35 C36 120.0(9) yes . .
C35 C36 C37 119.9(8) yes . .
C36 C37 C38 120.7(9) yes . .
C33 C38 C37 120.2(8) yes . .
P3 C39 C40 116.9(5) yes . .
P3 C39 C44 124.0(6) yes . .
C40 C39 C44 118.8(7) yes . .
C39 C40 C41 119.9(7) yes . .
C40 C41 C42 121.4(8) yes . .
C41 C42 C43 118.8(8) yes . .
C42 C43 C44 120.8(8) yes . .
C39 C44 C43 120.2(7) yes . .
P3 C45 C46 121.1(6) yes . .
P3 C45 C50 119.4(5) yes . .
C46 C45 C50 119.2(7) yes . .
C45 C46 C47 120.1(8) yes . .
C46 C47 C48 119.6(8) yes . .
C47 C48 C49 120.8(8) yes . .
C48 C49 C50 119.4(8) yes . .
C45 C50 C49 120.8(7) yes . .
P2 C51 C52 118.7(5) yes . .
P2 C51 C56 122.4(5) yes . .
C52 C51 C56 119.0(6) yes . .
C51 C52 C53 120.5(7) yes . .
C52 C53 C54 119.8(7) yes . .
C53 C54 C55 120.4(7) yes . .
C54 C55 C56 120.4(7) yes . .
C51 C56 C55 119.9(7) yes . .
P2 C57 C58 120.4(5) yes . .
P2 C57 C62 120.8(6) yes . .
C58 C57 C62 118.7(7) yes . .
C57 C58 C59 120.5(7) yes . .
C58 C59 C60 119.9(7) yes . .
C59 C60 C61 119.5(7) yes . .
C60 C61 C62 120.9(7) yes . .
C57 C62 C61 120.5(7) yes . .
P2 C63 C64 124.4(6) yes . .
P2 C63 C68 116.5(6) yes . .
C64 C63 C68 118.9(7) yes . .
C63 C64 C65 120.0(7) yes . .
C64 C65 C66 120.4(8) yes . .
C65 C66 C67 119.7(8) yes . .
C66 C67 C68 120.2(7) yes . .
C63 C68 C67 120.7(7) yes . .
Cl2 C69 Cl3 108.4(5) yes . .
Cl4 C70 Cl5 111.3(5) yes . .
Cl6 C71 Cl7A 116.9(9) yes . .
Cl6 C71 Cl7B 103.8(9) yes . .
Cl7A C71 Cl7B 75.0(9) yes . .
Cl8 C72 Cl9 108.5(5) yes . .
C1 C2 H2A 108.809 no . .
C1 C2 H2B 108.819 no . .
C3 C2 H2A 108.803 no . .
C3 C2 H2B 108.820 no . .
H2A C2 H2B 107.682 no . .
C3 C4 H4 119.090 no . .
C5 C4 H4 119.102 no . .
C4 C5 H5 120.509 no . .
C6 C5 H5 120.516 no . .
C5 C6 H6 118.568 no . .
C7 C6 H6 118.564 no . .
C6 C7 H7 121.046 no . .
C8 C7 H7 121.063 no . .
C3 C8 H8 119.645 no . .
C7 C8 H8 119.627 no . .
C10 C11 H11 118.283 no . .
C12 C11 H11 118.275 no . .
C16 C17 H17 118.048 no . .
C18 C17 H17 118.053 no . .
C21 C22 H22A 109.478 no . .
C21 C22 H22B 109.478 no . .
C21 C22 H22C 109.468 no . .
H22A C22 H22B 109.469 no . .
H22A C22 H22C 109.466 no . .
H22B C22 H22C 109.469 no . .
C21 C23 H23A 109.473 no . .
C21 C23 H23B 109.474 no . .
C21 C23 H23C 109.464 no . .
H23A C23 H23B 109.479 no . .
H23A C23 H23C 109.467 no . .
H23B C23 H23C 109.472 no . .
C21 C24 H24A 109.463 no . .
C21 C24 H24B 109.477 no . .
C21 C24 H24C 109.471 no . .
H24A C24 H24B 109.469 no . .
H24A C24 H24C 109.471 no . .
H24B C24 H24C 109.476 no . .
C12 C25 H25A 109.482 no . .
C12 C25 H25B 109.469 no . .
C12 C25 H25C 109.474 no . .
H25A C25 H25B 109.468 no . .
H25A C25 H25C 109.467 no . .
H25B C25 H25C 109.467 no . .
C13 C26 H26A 109.468 no . .
C13 C26 H26B 109.467 no . .
C13 C26 H26C 109.472 no . .
H26A C26 H26B 109.477 no . .
H26A C26 H26C 109.477 no . .
H26B C26 H26C 109.466 no . .
C19 C27 H27A 109.472 no . .
C19 C27 H27B 109.463 no . .
C19 C27 H27C 109.473 no . .
H27A C27 H27B 109.472 no . .
H27A C27 H27C 109.476 no . .
H27B C27 H27C 109.471 no . .
C18 C28 H28A 109.481 no . .
C18 C28 H28B 109.466 no . .
C18 C28 H28C 109.477 no . .
H28A C28 H28B 109.458 no . .
H28A C28 H28C 109.477 no . .
H28B C28 H28C 109.469 no . .
C29 C30 H30A 109.474 no . .
C29 C30 H30B 109.463 no . .
C29 C30 H30C 109.476 no . .
H30A C30 H30B 109.468 no . .
H30A C30 H30C 109.473 no . .
H30B C30 H30C 109.474 no . .
C29 C31 H31A 109.466 no . .
C29 C31 H31B 109.470 no . .
C29 C31 H31C 109.467 no . .
H31A C31 H31B 109.478 no . .
H31A C31 H31C 109.477 no . .
H31B C31 H31C 109.470 no . .
C29 C32 H32A 109.472 no . .
C29 C32 H32B 109.475 no . .
C29 C32 H32C 109.479 no . .
H32A C32 H32B 109.466 no . .
H32A C32 H32C 109.470 no . .
H32B C32 H32C 109.465 no . .
C33 C34 H34 119.620 no . .
C35 C34 H34 119.620 no . .
C34 C35 H35 120.001 no . .
C36 C35 H35 120.008 no . .
C35 C36 H36 120.037 no . .
C37 C36 H36 120.047 no . .
C36 C37 H37 119.628 no . .
C38 C37 H37 119.630 no . .
C33 C38 H38 119.901 no . .
C37 C38 H38 119.907 no . .
C39 C40 H40 120.033 no . .
C41 C40 H40 120.052 no . .
C40 C41 H41 119.284 no . .
C42 C41 H41 119.268 no . .
C41 C42 H42 120.607 no . .
C43 C42 H42 120.604 no . .
C42 C43 H43 119.597 no . .
C44 C43 H43 119.603 no . .
C39 C44 H44 119.893 no . .
C43 C44 H44 119.891 no . .
C45 C46 H46 119.957 no . .
C47 C46 H46 119.964 no . .
C46 C47 H47 120.177 no . .
C48 C47 H47 120.183 no . .
C47 C48 H48 119.569 no . .
C49 C48 H48 119.585 no . .
C48 C49 H49 120.284 no . .
C50 C49 H49 120.278 no . .
C45 C50 H50 119.603 no . .
C49 C50 H50 119.617 no . .
C51 C52 H52 119.750 no . .
C53 C52 H52 119.763 no . .
C52 C53 H53 120.103 no . .
C54 C53 H53 120.097 no . .
C53 C54 H54 119.789 no . .
C55 C54 H54 119.801 no . .
C54 C55 H55 119.807 no . .
C56 C55 H55 119.806 no . .
C51 C56 H56 120.048 no . .
C55 C56 H56 120.044 no . .
C57 C58 H58 119.749 no . .
C59 C58 H58 119.742 no . .
C58 C59 H59 120.031 no . .
C60 C59 H59 120.034 no . .
C59 C60 H60 120.268 no . .
C61 C60 H60 120.272 no . .
C60 C61 H61 119.546 no . .
C62 C61 H61 119.532 no . .
C57 C62 H62 119.766 no . .
C61 C62 H62 119.780 no . .
C63 C64 H64 120.019 no . .
C65 C64 H64 120.015 no . .
C64 C65 H65 119.819 no . .
C66 C65 H65 119.820 no . .
C65 C66 H66 120.140 no . .
C67 C66 H66 120.136 no . .
C66 C67 H67 119.868 no . .
C68 C67 H67 119.885 no . .
C63 C68 H68 119.647 no . .
C67 C68 H68 119.646 no . .
Cl2 C69 H69A 110.007 no . .
Cl2 C69 H69B 110.015 no . .
Cl3 C69 H69A 110.009 no . .
Cl3 C69 H69B 110.016 no . .
H69A C69 H69B 108.367 no . .
Cl4 C70 H70A 109.379 no . .
Cl4 C70 H70B 109.367 no . .
Cl5 C70 H70A 109.374 no . .
Cl5 C70 H70B 109.382 no . .
H70A C70 H70B 108.000 no . .
Cl8 C72 H72A 109.996 no . .
Cl8 C72 H72B 110.005 no . .
Cl9 C72 H72A 109.995 no . .
Cl9 C72 H72B 109.999 no . .
H72A C72 H72B 108.368 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Rh1 Cl1 2.3898(17) yes .
Rh1 P1 2.1412(17) yes .
Rh1 P2 2.3274(18) yes .
Rh1 P3 2.3040(18) yes .
Cl2 C69 1.762(8) yes .
Cl3 C69 1.762(10) yes .
Cl4 C70 1.770(7) yes .
Cl5 C70 1.765(11) yes .
Cl6 C71 1.763(13) yes .
Cl7A Cl7B 2.15(2) yes .
Cl7A C71 1.765(19) yes .
Cl7B Cl7B 1.93(3) yes 2_665
Cl7B C71 1.77(2) yes .
Cl8 C72 1.775(14) yes .
Cl9 C72 1.771(12) yes .
P1 O1 1.643(5) yes .
P1 O3 1.620(5) yes .
P1 O4 1.609(5) yes .
P2 C51 1.841(7) yes .
P2 C57 1.828(7) yes .
P2 C63 1.834(7) yes .
P3 C33 1.834(7) yes .
P3 C39 1.822(7) yes .
P3 C45 1.833(7) yes .
O1 C1 1.406(9) yes .
O2 C1 1.197(9) yes .
O3 C9 1.408(8) yes .
O4 C15 1.401(8) yes .
C1 C2 1.493(11) yes .
C2 C3 1.523(12) yes .
C3 C4 1.364(14) yes .
C3 C8 1.387(15) yes .
C4 C5 1.387(15) yes .
C5 C6 1.314(18) yes .
C6 C7 1.362(19) yes .
C7 C8 1.398(19) yes .
C9 C10 1.403(10) yes .
C9 C14 1.390(9) yes .
C10 C11 1.398(10) yes .
C10 C21 1.542(10) yes .
C11 C12 1.405(10) yes .
C12 C13 1.386(10) yes .
C12 C25 1.516(10) yes .
C13 C14 1.404(10) yes .
C13 C26 1.524(11) yes .
C14 C20 1.500(10) yes .
C15 C16 1.406(10) yes .
C15 C20 1.392(9) yes .
C16 C17 1.395(10) yes .
C16 C29 1.535(10) yes .
C17 C18 1.385(10) yes .
C18 C19 1.396(10) yes .
C18 C28 1.519(10) yes .
C19 C20 1.410(9) yes .
C19 C27 1.511(10) yes .
C21 C22 1.534(11) yes .
C21 C23 1.542(10) yes .
C21 C24 1.538(10) yes .
C29 C30 1.547(11) yes .
C29 C31 1.542(10) yes .
C29 C32 1.537(11) yes .
C33 C34 1.407(11) yes .
C33 C38 1.376(11) yes .
C34 C35 1.398(12) yes .
C35 C36 1.364(14) yes .
C36 C37 1.379(13) yes .
C37 C38 1.403(12) yes .
C39 C40 1.403(10) yes .
C39 C44 1.393(10) yes .
C40 C41 1.384(11) yes .
C41 C42 1.384(11) yes .
C42 C43 1.384(12) yes .
C43 C44 1.397(12) yes .
C45 C46 1.407(10) yes .
C45 C50 1.394(11) yes .
C46 C47 1.388(11) yes .
C47 C48 1.385(13) yes .
C48 C49 1.395(12) yes .
C49 C50 1.379(11) yes .
C51 C52 1.393(10) yes .
C51 C56 1.401(10) yes .
C52 C53 1.388(10) yes .
C53 C54 1.386(11) yes .
C54 C55 1.372(11) yes .
C55 C56 1.391(10) yes .
C57 C58 1.413(10) yes .
C57 C62 1.388(10) yes .
C58 C59 1.377(10) yes .
C59 C60 1.398(12) yes .
C60 C61 1.381(11) yes .
C61 C62 1.379(11) yes .
C63 C64 1.399(10) yes .
C63 C68 1.395(10) yes .
C64 C65 1.400(11) yes .
C65 C66 1.386(11) yes .
C66 C67 1.387(12) yes .
C67 C68 1.389(11) yes .
C2 H2A 0.990 no .
C2 H2B 0.990 no .
C4 H4 0.950 no .
C5 H5 0.950 no .
C6 H6 0.950 no .
C7 H7 0.950 no .
C8 H8 0.950 no .
C11 H11 0.950 no .
C17 H17 0.950 no .
C22 H22A 0.980 no .
C22 H22B 0.980 no .
C22 H22C 0.980 no .
C23 H23A 0.980 no .
C23 H23B 0.980 no .
C23 H23C 0.980 no .
C24 H24A 0.980 no .
C24 H24B 0.980 no .
C24 H24C 0.980 no .
C25 H25A 0.980 no .
C25 H25B 0.980 no .
C25 H25C 0.980 no .
C26 H26A 0.980 no .
C26 H26B 0.980 no .
C26 H26C 0.980 no .
C27 H27A 0.980 no .
C27 H27B 0.980 no .
C27 H27C 0.980 no .
C28 H28A 0.980 no .
C28 H28B 0.980 no .
C28 H28C 0.980 no .
C30 H30A 0.980 no .
C30 H30B 0.980 no .
C30 H30C 0.980 no .
C31 H31A 0.980 no .
C31 H31B 0.980 no .
C31 H31C 0.980 no .
C32 H32A 0.980 no .
C32 H32B 0.980 no .
C32 H32C 0.980 no .
C34 H34 0.950 no .
C35 H35 0.950 no .
C36 H36 0.950 no .
C37 H37 0.950 no .
C38 H38 0.950 no .
C40 H40 0.950 no .
C41 H41 0.950 no .
C42 H42 0.950 no .
C43 H43 0.950 no .
C44 H44 0.950 no .
C46 H46 0.950 no .
C47 H47 0.950 no .
C48 H48 0.950 no .
C49 H49 0.950 no .
C50 H50 0.950 no .
C52 H52 0.950 no .
C53 H53 0.950 no .
C54 H54 0.950 no .
C55 H55 0.950 no .
C56 H56 0.950 no .
C58 H58 0.950 no .
C59 H59 0.950 no .
C60 H60 0.950 no .
C61 H61 0.950 no .
C62 H62 0.950 no .
C64 H64 0.950 no .
C65 H65 0.950 no .
C66 H66 0.950 no .
C67 H67 0.950 no .
C68 H68 0.950 no .
C69 H69A 0.990 no .
C69 H69B 0.990 no .
C70 H70A 0.990 no .
C70 H70B 0.990 no .
C72 H72A 0.990 no .
C72 H72B 0.990 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Rh1 C62 3.586(8) no .
Rh1 C68 3.585(8) no .
Cl1 C39 3.424(8) no .
Cl1 C44 3.519(8) no .
Cl1 C45 3.329(7) no .
Cl1 C50 3.388(8) no .
Cl1 C57 3.542(7) no .
Cl1 C62 3.378(8) no .
Cl1 C63 3.261(7) no .
P1 O2 3.220(6) no .
P1 C10 3.599(7) no .
P1 C14 3.169(7) no .
P1 C20 3.274(7) no .
P2 O3 3.442(5) no .
P3 O1 3.279(5) no .
O1 C9 2.778(8) no .
O1 C10 3.320(8) no .
O1 C14 3.374(8) no .
O1 C24 3.306(9) no .
O1 C33 3.004(8) no .
O1 C34 3.300(9) no .
O1 C38 3.590(9) no .
O1 C40 3.580(9) no .
O2 O4 2.730(8) no .
O2 C3 2.896(12) no .
O2 C8 3.013(16) no .
O2 C9 3.480(9) no .
O2 C13 3.301(9) no .
O2 C14 3.148(9) no .
O2 C15 3.441(9) no .
O2 C34 3.434(10) no .
O2 C35 3.413(10) no .
O3 C1 3.430(9) no .
O3 C15 2.946(8) no .
O3 C20 2.824(8) no .
O3 C21 2.951(8) no .
O3 C23 3.031(9) no .
O3 C24 3.139(9) no .
O3 C51 3.084(8) no .
O3 C52 3.264(9) no .
O4 C1 2.963(9) no .
O4 C9 3.053(8) no .
O4 C14 2.872(8) no .
O4 C29 2.896(9) no .
O4 C30 3.014(9) no .
O4 C31 3.022(9) no .
O4 C34 3.549(9) no .
C1 C4 3.545(13) no .
C1 C8 3.096(15) no .
C1 C9 3.136(10) no .
C1 C10 3.541(10) no .
C1 C14 3.303(10) no .
C1 C33 3.418(9) no .
C1 C34 3.433(10) no .
C3 C6 2.744(15) no .
C4 C7 2.73(2) no .
C5 C8 2.733(16) no .
C9 C12 2.760(10) no .
C9 C15 3.180(10) no .
C9 C19 3.577(10) no .
C9 C23 3.064(10) no .
C9 C24 3.254(10) no .
C10 C13 2.854(10) no .
C11 C14 2.760(10) no .
C11 C22 2.860(11) no .
C13 C19 3.134(10) no .
C13 C27 3.149(11) no .
C14 C27 2.950(10) no .
C15 C18 2.768(9) no .
C15 C30 3.082(10) no .
C15 C31 3.183(10) no .
C15 C52 3.499(10) no .
C16 C19 2.847(10) no .
C17 C20 2.762(10) no .
C17 C30 3.569(10) no .
C17 C32 2.845(11) no .
C18 C53 3.495(11) no .
C19 C26 3.193(11) no .
C19 C53 3.369(11) no .
C20 C26 2.965(10) no .
C23 C56 3.451(11) no .
C25 C26 2.930(11) no .
C26 C27 3.258(12) no .
C27 C28 2.903(11) no .
C31 C62 3.537(11) no .
C33 C36 2.800(11) no .
C33 C40 3.370(11) no .
C33 C46 3.256(10) no .
C34 C37 2.750(13) no .
C34 C45 3.259(11) no .
C35 C38 2.776(13) no .
C38 C39 3.138(11) no .
C38 C40 3.317(11) no .
C39 C42 2.806(11) no .
C39 C46 3.333(10) no .
C40 C43 2.773(11) no .
C41 C44 2.765(11) no .
C44 C45 3.249(11) no .
C44 C46 3.240(11) no .
C45 C48 2.778(11) no .
C46 C49 2.786(12) no .
C47 C50 2.783(11) no .
C51 C54 2.784(10) no .
C51 C58 3.083(10) no .
C51 C68 3.540(10) no .
C52 C55 2.770(10) no .
C52 C57 3.242(10) no .
C52 C58 3.446(10) no .
C53 C56 2.777(11) no .
C56 C63 3.032(9) no .
C56 C68 3.438(10) no .
C57 C60 2.793(10) no .
C57 C64 3.252(10) no .
C58 C61 2.765(11) no .
C58 C63 3.510(10) no .
C58 C64 3.349(10) no .
C59 C62 2.778(11) no .
C63 C66 2.800(11) no .
C64 C67 2.782(11) no .
C65 C68 2.774(11) no .
Cl1 C69 3.541(9) no 1_545
Cl3 C65 3.599(8) no 1_565
Cl5 Cl8 3.382(6) no .
Cl7A Cl9 3.066(14) no 2_665
Cl7A C7 3.35(3) no .
Cl7A C8 3.381(19) no .
Cl8 Cl5 3.382(6) no .
Cl9 Cl7A 3.066(14) no 2_665
Cl9 C8 3.598(17) no 1_655
O2 C71 3.221(15) no .
C6 C48 3.521(15) no 1_565
C7 Cl7A 3.35(3) no .
C7 C48 3.546(17) no 1_565
C8 Cl7A 3.381(19) no .
C8 Cl9 3.598(17) no 1_455
C8 C71 3.49(2) no .
C22 C22 3.494(12) no 2_566
C26 C60 3.548(10) no 1_565
C43 C60 3.522(12) no 1_455
C46 C47 3.472(12) no 2_555
C47 C46 3.472(12) no 2_555
C48 C6 3.521(15) no 1_545
C48 C7 3.546(17) no 1_545
C58 C65 3.576(10) no 2_656
C60 C26 3.548(10) no 1_545
C60 C43 3.522(12) no 1_655
C65 Cl3 3.599(8) no 1_545
C65 C58 3.576(10) no 2_656
C69 Cl1 3.541(9) no 1_565
C71 O2 3.221(15) no .
C71 C8 3.49(2) no .
Rh1 H24C 3.4475 no .
Rh1 H31A 2.9530 no .
Rh1 H50 3.0909 no .
Rh1 H62 2.9983 no .
Rh1 H68 3.1164 no .
Cl1 H44 3.3330 no .
Cl1 H50 3.1208 no .
Cl1 H62 2.8291 no .
P1 H24C 2.9131 no .
P1 H31A 2.9452 no .
P1 H34 3.4559 no .
P2 H52 2.8594 no .
P2 H56 2.9553 no .
P2 H58 2.9087 no .
P2 H62 2.8952 no .
P2 H64 2.9938 no .
P2 H68 2.8078 no .
P3 H34 2.8199 no .
P3 H38 2.9753 no .
P3 H40 2.8220 no .
P3 H44 2.9678 no .
P3 H46 2.9269 no .
P3 H50 2.8707 no .
O1 H2A 2.4998 no .
O1 H2B 2.5634 no .
O1 H24A 3.1108 no .
O1 H24C 2.7309 no .
O1 H34 3.4473 no .
O1 H40 2.7405 no .
O2 H2A 3.0648 no .
O2 H2B 3.0081 no .
O2 H8 2.7080 no .
O2 H26C 3.4414 no .
O2 H30B 3.3592 no .
O2 H35 3.5930 no .
O3 H23B 3.3956 no .
O3 H23C 2.4073 no .
O3 H24C 2.5134 no .
O3 H52 3.4404 no .
O3 H68 3.5051 no .
O4 H30A 3.5792 no .
O4 H30B 2.3398 no .
O4 H31A 2.3615 no .
O4 H31B 3.5402 no .
O4 H34 3.0708 no .
O4 H52 3.4756 no .
C1 H8 2.9268 no .
C1 H40 3.5918 no .
C2 H4 2.6206 no .
C2 H8 2.7221 no .
C2 H24A 3.1571 no .
C2 H40 3.3481 no .
C3 H5 3.2567 no .
C3 H7 3.2803 no .
C4 H2A 2.5253 no .
C4 H2B 3.1243 no .
C4 H6 3.1857 no .
C4 H8 3.2048 no .
C4 H25A 3.0790 no .
C5 H7 3.2026 no .
C5 H25A 3.1402 no .
C6 H4 3.1770 no .
C6 H8 3.2235 no .
C7 H5 3.2065 no .
C8 H2A 3.3382 no .
C8 H2B 2.8594 no .
C8 H4 3.2042 no .
C8 H6 3.2225 no .
C9 H2A 3.5196 no .
C9 H11 3.2222 no .
C9 H23B 3.1700 no .
C9 H23C 2.8498 no .
C9 H24A 3.5201 no .
C9 H24C 3.0087 no .
C9 H27C 3.2904 no .
C10 H2A 3.0693 no .
C10 H22A 2.7683 no .
C10 H22B 2.7062 no .
C10 H22C 3.3845 no .
C10 H23A 3.3582 no .
C10 H23B 2.6378 no .
C10 H23C 2.7553 no .
C10 H24A 2.7479 no .
C10 H24B 3.3976 no .
C10 H24C 2.7646 no .
C11 H2A 3.1925 no .
C11 H4 3.1732 no .
C11 H22A 2.7892 no .
C11 H22B 2.7279 no .
C11 H23B 3.5132 no .
C11 H24A 3.5323 no .
C11 H25A 3.0876 no .
C11 H25B 3.1934 no .
C11 H25C 2.5530 no .
C12 H4 3.3662 no .
C12 H26A 2.8868 no .
C12 H26B 2.6502 no .
C12 H26C 3.2899 no .
C12 H27C 3.2651 no .
C13 H11 3.2541 no .
C13 H25A 2.8534 no .
C13 H25B 2.7186 no .
C13 H25C 3.3132 no .
C13 H27A 3.4109 no .
C13 H27C 2.5297 no .
C14 H26A 3.0679 no .
C14 H26B 3.2542 no .
C14 H26C 2.6135 no .
C14 H27A 3.5478 no .
C14 H27C 2.4601 no .
C15 H17 3.2258 no .
C15 H26C 3.2987 no .
C15 H30A 3.3783 no .
C15 H30B 2.7388 no .
C15 H31A 2.8880 no .
C15 H31B 3.4770 no .
C15 H52 3.0339 no .
C16 H30A 2.7060 no .
C16 H30B 2.6296 no .
C16 H30C 3.3403 no .
C16 H31A 2.7152 no .
C16 H31B 2.7601 no .
C16 H31C 3.3831 no .
C16 H32A 2.7809 no .
C16 H32B 2.6877 no .
C16 H32C 3.3777 no .
C16 H52 3.0465 no .
C17 H28A 2.5480 no .
C17 H28B 3.1361 no .
C17 H28C 3.1323 no .
C17 H30A 3.4936 no .
C17 H31B 3.5668 no .
C17 H32A 2.8266 no .
C17 H32B 2.6655 no .
C17 H52 3.3918 no .
C17 H53 3.2336 no .
C18 H27A 2.7733 no .
C18 H27B 2.7118 no .
C18 H27C 3.3018 no .
C18 H53 2.7742 no .
C19 H17 3.2477 no .
C19 H26A 3.1682 no .
C19 H26C 2.8112 no .
C19 H28A 3.3259 no .
C19 H28B 2.7645 no .
C19 H28C 2.8014 no .
C19 H53 2.9380 no .
C20 H26A 3.3501 no .
C20 H26C 2.5560 no .
C20 H27A 3.1669 no .
C20 H27B 3.1787 no .
C20 H27C 2.5978 no .
C20 H52 3.5253 no .
C20 H53 3.5151 no .
C21 H2A 3.5366 no .
C21 H11 2.7060 no .
C22 H11 2.4526 no .
C22 H23A 2.5906 no .
C22 H23B 2.7282 no .
C22 H23C 3.3294 no .
C22 H24A 2.6703 no .
C22 H24B 2.6089 no .
C22 H24C 3.3215 no .
C23 H22A 3.3351 no .
C23 H22B 2.6848 no .
C23 H22C 2.6262 no .
C23 H24A 3.3618 no .
C23 H24B 2.6942 no .
C23 H24C 2.6976 no .
C23 H56 3.3098 no .
C23 H68 3.2727 no .
C24 H2A 3.1041 no .
C24 H22A 2.6313 no .
C24 H22B 3.3232 no .
C24 H22C 2.6453 no .
C24 H23A 2.7301 no .
C24 H23B 3.3597 no .
C24 H23C 2.6648 no .
C24 H40 3.0297 no .
C24 H41 3.5807 no .
C24 H68 2.9979 no .
C25 H4 3.3774 no .
C25 H11 2.6407 no .
C25 H26A 3.0831 no .
C25 H26B 2.6557 no .
C26 H25A 2.9787 no .
C26 H25B 2.7557 no .
C26 H27A 3.1023 no .
C26 H27C 2.9874 no .
C27 H26A 2.8495 no .
C27 H26C 3.2878 no .
C27 H28B 2.7931 no .
C27 H28C 2.8771 no .
C27 H53 3.4074 no .
C28 H17 2.6310 no .
C28 H27A 2.8814 no .
C28 H27B 2.7660 no .
C28 H53 3.1391 no .
C29 H17 2.6902 no .
C30 H31A 2.7697 no .
C30 H31B 3.3933 no .
C30 H31C 2.7186 no .
C30 H32A 3.3445 no .
C30 H32B 2.7003 no .
C30 H32C 2.6329 no .
C30 H34 3.0861 no .
C30 H35 3.5056 no .
C31 H30A 3.3896 no .
C31 H30B 2.8024 no .
C31 H30C 2.6907 no .
C31 H32A 2.6133 no .
C31 H32B 3.3295 no .
C31 H32C 2.6791 no .
C31 H34 3.5720 no .
C31 H50 3.3734 no .
C31 H52 3.2366 no .
C31 H62 3.1824 no .
C32 H17 2.4282 no .
C32 H30A 2.6348 no .
C32 H30B 3.3423 no .
C32 H30C 2.7036 no .
C32 H31A 3.3293 no .
C32 H31B 2.6405 no .
C32 H31C 2.6537 no .
C33 H2B 3.3748 no .
C33 H35 3.2939 no .
C33 H37 3.2614 no .
C33 H40 3.1303 no .
C33 H46 3.1354 no .
C34 H30B 3.0387 no .
C34 H36 3.2522 no .
C34 H38 3.2544 no .
C35 H8 3.4451 no .
C35 H30B 3.2886 no .
C35 H37 3.2288 no .
C36 H8 2.8700 no .
C36 H34 3.2444 no .
C36 H38 3.2709 no .
C37 H2B 3.0965 no .
C37 H8 3.2015 no .
C37 H35 3.2333 no .
C38 H2B 2.8714 no .
C38 H34 3.2479 no .
C38 H36 3.2752 no .
C38 H40 3.1155 no .
C38 H46 3.2735 no .
C39 H38 2.6784 no .
C39 H41 3.2677 no .
C39 H43 3.2726 no .
C39 H46 2.9874 no .
C40 H24A 3.3840 no .
C40 H24C 3.2462 no .
C40 H38 2.7232 no .
C40 H42 3.2713 no .
C40 H44 3.2683 no .
C41 H43 3.2409 no .
C42 H40 3.2678 no .
C42 H44 3.2703 no .
C43 H41 3.2389 no .
C44 H38 3.5504 no .
C44 H40 3.2678 no .
C44 H42 3.2767 no .
C44 H46 2.8387 no .
C45 H34 3.1563 no .
C45 H44 2.8104 no .
C45 H47 3.2806 no .
C45 H49 3.2690 no .
C46 H44 2.6626 no .
C46 H48 3.2528 no .
C46 H50 3.2741 no .
C47 H49 3.2728 no .
C48 H46 3.2546 no .
C48 H50 3.2536 no .
C49 H47 3.2737 no .
C50 H34 3.3136 no .
C50 H46 3.2741 no .
C50 H48 3.2510 no .
C50 H62 3.3182 no .
C51 H23C 3.1303 no .
C51 H53 3.2716 no .
C51 H55 3.2741 no .
C51 H58 2.7470 no .
C51 H68 3.5453 no .
C52 H54 3.2566 no .
C52 H56 3.2679 no .
C52 H58 3.2652 no .
C53 H27B 3.3061 no .
C53 H28B 3.5448 no .
C53 H55 3.2489 no .
C54 H27B 3.3913 no .
C54 H52 3.2561 no .
C54 H56 3.2523 no .
C55 H23B 3.4188 no .
C55 H23C 3.1921 no .
C55 H53 3.2486 no .
C56 H23B 3.5228 no .
C56 H23C 2.6648 no .
C56 H52 3.2673 no .
C56 H54 3.2536 no .
C56 H58 3.1921 no .
C56 H68 3.5695 no .
C57 H31B 3.4808 no .
C57 H52 3.0326 no .
C57 H59 3.2808 no .
C57 H61 3.2551 no .
C57 H64 2.8119 no .
C58 H52 3.4377 no .
C58 H60 3.2607 no .
C58 H62 3.2708 no .
C58 H64 2.6594 no .
C59 H61 3.2582 no .
C59 H64 3.5849 no .
C60 H58 3.2603 no .
C60 H62 3.2545 no .
C61 H31B 3.4430 no .
C61 H59 3.2588 no .
C62 H31A 3.4289 no .
C62 H31B 3.0028 no .
C62 H50 3.4166 no .
C62 H58 3.2670 no .
C62 H60 3.2575 no .
C63 H56 2.5453 no .
C63 H58 3.3118 no .
C63 H65 3.2804 no .
C63 H67 3.2739 no .
C64 H56 3.0772 no .
C64 H58 3.0667 no .
C64 H66 3.2753 no .
C64 H68 3.2653 no .
C65 H67 3.2557 no .
C66 H64 3.2727 no .
C66 H68 3.2612 no .
C67 H56 3.4331 no .
C67 H65 3.2555 no .
C68 H23A 3.5675 no .
C68 H23C 3.1556 no .
C68 H24B 3.5904 no .
C68 H24C 3.3208 no .
C68 H56 2.7901 no .
C68 H64 3.2670 no .
C68 H66 3.2645 no .
H2A H4 2.2793 no .
H2A H11 3.4310 no .
H2A H22A 3.5116 no .
H2A H24A 2.3180 no .
H2A H24C 3.2879 no .
H2A H40 3.2237 no .
H2B H4 3.2997 no .
H2B H8 2.8584 no .
H2B H24A 3.3032 no .
H2B H37 3.3051 no .
H2B H38 2.9504 no .
H2B H40 2.8042 no .
H4 H5 2.3327 no .
H4 H11 2.9920 no .
H4 H25A 3.0235 no .
H4 H25C 3.2565 no .
H5 H6 2.2509 no .
H5 H25A 3.1923 no .
H6 H7 2.3070 no .
H7 H8 2.3578 no .
H8 H36 2.7981 no .
H8 H37 3.3450 no .
H11 H22A 2.2267 no .
H11 H22B 2.2251 no .
H11 H22C 3.4187 no .
H11 H25A 3.2260 no .
H11 H25B 3.3727 no .
H11 H25C 2.3100 no .
H17 H28A 2.3005 no .
H17 H28B 3.3138 no .
H17 H28C 3.2728 no .
H17 H32A 2.2812 no .
H17 H32B 2.1249 no .
H17 H32C 3.3913 no .
H22A H23A 3.4924 no .
H22A H24A 2.4633 no .
H22A H24B 2.8591 no .
H22A H24C 3.5466 no .
H22B H23A 2.8756 no .
H22B H23B 2.5686 no .
H22B H24A 3.5609 no .
H22B H24B 3.5201 no .
H22C H23A 2.3583 no .
H22C H23B 2.9924 no .
H22C H23C 3.4938 no .
H22C H24A 2.9698 no .
H22C H24B 2.4123 no .
H22C H24C 3.5285 no .
H23A H24B 2.5461 no .
H23A H24C 3.0285 no .
H23A H56 3.3500 no .
H23A H67 3.4591 no .
H23A H68 3.1866 no .
H23B H24C 3.5740 no .
H23B H55 3.3455 no .
H23B H56 3.5327 no .
H23C H24A 3.5682 no .
H23C H24B 2.9268 no .
H23C H24C 2.4796 no .
H23C H55 3.4429 no .
H23C H56 2.5923 no .
H23C H68 2.6565 no .
H24A H40 2.6652 no .
H24A H41 3.2040 no .
H24B H40 3.3384 no .
H24B H41 3.2819 no .
H24B H67 3.3230 no .
H24B H68 2.8229 no .
H24C H40 2.6434 no .
H24C H68 2.3812 no .
H25A H26A 3.3100 no .
H25A H26B 2.4047 no .
H25B H26A 2.6012 no .
H25B H26B 2.5633 no .
H26A H27A 2.4606 no .
H26A H27C 2.6520 no .
H26C H27A 3.1605 no .
H26C H27C 3.2601 no .
H27A H28B 2.9228 no .
H27A H28C 2.5252 no .
H27B H28B 2.3308 no .
H27B H28C 2.8898 no .
H27B H53 2.9074 no .
H27B H54 3.0455 no .
H28A H53 3.5125 no .
H28B H53 2.6609 no .
H30A H31C 3.5827 no .
H30A H32A 3.5556 no .
H30A H32B 2.4760 no .
H30A H32C 2.8436 no .
H30B H31A 2.6644 no .
H30B H31C 3.0765 no .
H30B H32B 3.5717 no .
H30B H32C 3.5526 no .
H30B H34 2.4049 no .
H30B H35 2.8989 no .
H30C H31A 2.9855 no .
H30C H31B 3.5817 no .
H30C H31C 2.4894 no .
H30C H32A 3.5768 no .
H30C H32B 3.0438 no .
H30C H32C 2.4775 no .
H30C H34 2.9607 no .
H30C H35 3.3591 no .
H31A H32A 3.5179 no .
H31A H32C 3.5748 no .
H31A H34 2.9768 no .
H31A H50 2.9422 no .
H31A H52 3.1046 no .
H31A H62 2.9324 no .
H31B H32A 2.4039 no .
H31B H32B 3.5263 no .
H31B H32C 2.9606 no .
H31B H52 2.6660 no .
H31B H62 2.9089 no .
H31C H32A 2.8838 no .
H31C H32B 3.5671 no .
H31C H32C 2.4885 no .
H31C H34 3.5134 no .
H31C H50 2.9516 no .
H31C H62 3.1721 no .
H34 H35 2.3426 no .
H34 H50 3.1894 no .
H35 H36 2.3145 no .
H36 H37 2.3241 no .
H37 H38 2.3465 no .
H38 H40 2.6978 no .
H38 H46 3.1631 no .
H40 H41 2.3249 no .
H41 H42 2.3321 no .
H42 H43 2.3364 no .
H43 H44 2.3394 no .
H44 H46 2.4259 no .
H46 H47 2.3400 no .
H47 H48 2.3311 no .
H48 H49 2.3427 no .
H49 H50 2.3277 no .
H50 H62 2.4783 no .
H52 H53 2.3361 no .
H52 H58 3.5154 no .
H53 H54 2.3341 no .
H54 H55 2.3160 no .
H55 H56 2.3386 no .
H56 H58 3.3929 no .
H56 H64 3.5056 no .
H56 H68 3.0809 no .
H58 H59 2.3241 no .
H58 H64 2.4623 no .
H59 H60 2.3527 no .
H60 H61 2.3289 no .
H61 H62 2.3192 no .
H64 H65 2.3478 no .
H65 H66 2.3356 no .
H66 H67 2.3370 no .
H67 H68 2.3322 no .
Cl1 H5 3.0383 no 1_545
Cl1 H25A 3.3889 no 1_545
Cl1 H69A 2.8297 no 1_545
Cl1 H69B 3.4181 no 1_545
Cl2 H5 2.9423 no .
Cl2 H43 3.2674 no 1_565
Cl2 H59 3.1819 no 1_465
Cl2 H60 3.1126 no 1_465
Cl2 H66 3.5362 no 2_566
Cl2 H67 3.2775 no 2_566
Cl3 H11 3.0056 no .
Cl3 H22A 3.2641 no .
Cl3 H22C 3.1562 no 2_566
Cl3 H23A 3.5783 no 2_566
Cl3 H24B 3.2512 no 2_566
Cl3 H25C 3.1533 no .
Cl3 H65 3.4434 no 1_565
Cl3 H67 3.1361 no 2_566
Cl4 H30C 3.1209 no 2_665
Cl4 H31C 3.1177 no 1_565
Cl4 H32C 3.4519 no 1_565
Cl4 H49 3.4495 no 1_565
Cl5 H35 3.3694 no 2_665
Cl5 H43 3.2497 no 1_665
Cl5 H44 3.2905 no 1_665
Cl5 H61 3.4602 no 1_565
Cl5 H72B 3.4958 no .
Cl6 H26B 3.1993 no .
Cl6 H26C 3.5219 no .
Cl6 H30A 3.5642 no 2_665
Cl6 H30C 3.4461 no 2_665
Cl6 H49 3.2715 no 1_565
Cl6 H61 3.3995 no 1_565
Cl6 H72B 3.0073 no .
Cl7A H7 2.8592 no .
Cl7A H8 2.8752 no .
Cl7A H30A 3.0064 no 2_665
Cl7A H36 3.4261 no .
Cl7A H72B 3.3071 no 2_665
Cl7B H30A 3.2978 no .
Cl7B H30A 3.4966 no 2_665
Cl7B H30B 3.5749 no .
Cl7B H35 3.2460 no .
Cl7B H72B 3.4148 no .
Cl7B H72B 3.3633 no 2_665
Cl8 H26A 3.3255 no .
Cl8 H26C 3.2237 no .
Cl8 H27A 3.4230 no .
Cl8 H28C 3.0060 no .
Cl8 H60 3.1126 no 1_565
Cl9 H2B 3.5763 no 1_655
Cl9 H17 3.3806 no .
Cl9 H32B 3.3188 no .
Cl9 H36 3.1756 no 2_665
Cl9 H37 3.0130 no 1_655
C2 H28A 3.0063 no 1_455
C4 H28C 3.4272 no 1_455
C4 H69A 3.4048 no .
C5 H69A 3.0505 no .
C7 H36 3.5134 no 2_565
C7 H37 3.5924 no 2_565
C7 H48 3.4925 no 1_565
C11 H54 3.0143 no 2_666
C12 H54 3.5355 no 2_666
C12 H55 3.1988 no 2_666
C15 H72A 3.4548 no .
C16 H72A 3.1960 no .
C17 H41 3.2628 no 1_655
C17 H72A 2.9561 no .
C18 H41 3.4835 no 1_655
C18 H72A 3.0375 no .
C19 H72A 3.2792 no .
C20 H72A 3.4412 no .
C22 H22A 3.1902 no 2_566
C22 H22C 3.0060 no 2_566
C22 H27B 3.4973 no 2_666
C22 H54 3.5179 no 2_666
C23 H27B 3.2127 no 2_666
C25 H55 3.0586 no 2_666
C25 H64 3.4673 no 1_565
C25 H69A 3.1969 no .
C26 H60 3.3252 no 1_565
C26 H61 3.4454 no 1_565
C26 H72A 3.3893 no .
C27 H23A 3.5575 no 2_666
C27 H23B 3.0147 no 2_666
C28 H2A 3.2713 no 1_655
C28 H2B 3.4834 no 1_655
C28 H24A 3.2846 no 1_655
C28 H41 3.3037 no 1_655
C32 H38 3.1722 no 1_655
C32 H48 3.0073 no 2_655
C32 H70B 3.2135 no 1_545
C33 H47 3.3693 no 2_555
C34 H70A 3.1031 no 2_665
C35 H70A 3.2770 no 2_665
C36 H7 3.5123 no 2_565
C36 H47 3.3448 no 2_555
C37 H7 3.3061 no 2_565
C37 H47 2.9747 no 2_555
C37 H48 3.1060 no 2_555
C38 H32B 3.4988 no 1_455
C38 H47 2.9884 no 2_555
C38 H48 3.3727 no 2_555
C40 H17 3.5073 no 1_455
C40 H28A 3.5836 no 1_455
C40 H32A 3.4358 no 1_455
C41 H17 3.1757 no 1_455
C41 H28A 3.4784 no 1_455
C41 H32A 3.1903 no 1_455
C41 H53 3.4891 no 1_455
C42 H31B 3.3573 no 1_455
C42 H32A 3.1780 no 1_455
C42 H52 3.4513 no 1_455
C42 H66 3.3526 no 2_556
C43 H32A 3.4104 no 1_455
C43 H60 3.4766 no 1_455
C44 H70B 3.4957 no 1_445
C45 H6 3.1607 no 1_545
C45 H70A 3.3825 no 2_665
C46 H6 2.9517 no 1_545
C46 H47 2.9644 no 2_555
C46 H70A 3.2711 no 2_665
C47 H6 2.7907 no 1_545
C47 H7 3.4981 no 1_545
C47 H46 3.0188 no 2_555
C47 H47 3.3603 no 2_555
C47 H70A 3.5584 no 1_445
C47 H70A 3.2245 no 2_665
C47 H70B 3.5881 no 2_665
C48 H6 2.8899 no 1_545
C48 H7 2.9606 no 1_545
C48 H32C 3.0322 no 2_655
C48 H37 3.4403 no 2_555
C48 H70A 3.2336 no 2_665
C48 H70B 3.2835 no 2_665
C49 H6 3.1385 no 1_545
C49 H7 3.5302 no 1_545
C49 H32C 3.4253 no 2_655
C49 H70A 3.3124 no 2_665
C50 H6 3.2545 no 1_545
C50 H70A 3.3839 no 2_665
C51 H65 3.5943 no 2_656
C52 H42 3.1898 no 1_655
C52 H65 3.2265 no 2_656
C53 H41 3.3625 no 1_655
C53 H42 3.5869 no 1_655
C53 H65 2.8568 no 2_656
C54 H11 3.5131 no 2_666
C54 H22B 3.4950 no 2_666
C54 H64 3.5598 no 2_656
C54 H65 2.9071 no 2_656
C55 H25B 3.3502 no 2_666
C55 H25C 3.5541 no 2_666
C55 H64 2.9950 no 2_656
C55 H65 3.2783 no 2_656
C56 H58 3.4420 no 2_656
C56 H59 3.4391 no 2_656
C56 H64 3.1821 no 2_656
C56 H65 3.5983 no 2_656
C57 H25B 3.3295 no 1_545
C57 H42 3.5539 no 1_655
C58 H25B 3.3974 no 1_545
C58 H42 3.1966 no 1_655
C58 H56 3.2841 no 2_656
C58 H65 3.5541 no 2_656
C59 H25B 3.3224 no 1_545
C59 H26A 3.5949 no 1_545
C59 H42 3.1295 no 1_655
C59 H43 3.3212 no 1_655
C59 H55 3.5210 no 2_656
C59 H56 3.1531 no 2_656
C60 H25B 3.2032 no 1_545
C60 H26A 2.7652 no 1_545
C60 H26B 3.4727 no 1_545
C60 H42 3.3832 no 1_655
C60 H43 2.7124 no 1_655
C61 H25B 3.1485 no 1_545
C61 H26A 3.1350 no 1_545
C61 H26B 3.1566 no 1_545
C61 H43 3.1472 no 1_655
C62 H25B 3.1901 no 1_545
C63 H69B 3.3962 no 1_545
C64 H25C 3.3932 no 1_545
C64 H58 3.0102 no 2_656
C64 H69B 3.2962 no 1_545
C65 H58 2.9500 no 2_656
C65 H59 3.3868 no 2_656
C65 H69B 3.0291 no 1_545
C66 H59 3.1187 no 2_656
C66 H67 3.0785 no 2_556
C66 H69B 2.8609 no 1_545
C67 H59 3.3349 no 2_656
C67 H66 3.2094 no 2_556
C67 H67 3.4083 no 2_556
C67 H69B 2.9380 no 1_545
C67 H69B 3.3810 no 2_566
C68 H69B 3.1938 no 1_545
C69 H4 3.5199 no .
C69 H5 2.9899 no .
C69 H25C 3.1538 no .
C69 H67 3.0551 no 2_566
C70 H32C 3.3488 no 1_565
C70 H46 3.2392 no 1_665
C70 H47 3.5959 no 1_665
C71 H7 3.5467 no .
C71 H8 3.1990 no .
C71 H26B 3.3472 no .
C71 H26C 3.4968 no .
C72 H26C 3.0793 no .
H2A C28 3.2713 no 1_455
H2A H28A 2.5755 no 1_455
H2A H28B 3.5889 no 1_455
H2A H28C 3.2161 no 1_455
H2B Cl9 3.5763 no 1_455
H2B C28 3.4834 no 1_455
H2B H17 3.5433 no 1_455
H2B H28A 2.6085 no 1_455
H2B H28C 3.5667 no 1_455
H4 C69 3.5199 no .
H4 H28A 3.5655 no 1_455
H4 H28C 3.0526 no 1_455
H4 H69A 2.9935 no .
H5 Cl1 3.0383 no 1_565
H5 Cl2 2.9423 no .
H5 C69 2.9899 no .
H5 H44 3.1231 no 1_565
H5 H69A 2.3045 no .
H6 C45 3.1607 no 1_565
H6 C46 2.9517 no 1_565
H6 C47 2.7907 no 1_565
H6 C48 2.8899 no 1_565
H6 C49 3.1385 no 1_565
H6 C50 3.2545 no 1_565
H6 H44 2.8962 no 1_565
H6 H46 3.4706 no 1_565
H6 H47 3.2086 no 1_565
H6 H48 3.3597 no 1_565
H7 Cl7A 2.8592 no .
H7 C36 3.5123 no 2_565
H7 C37 3.3061 no 2_565
H7 C47 3.4981 no 1_565
H7 C48 2.9606 no 1_565
H7 C49 3.5302 no 1_565
H7 C71 3.5467 no .
H7 H36 3.1340 no 2_565
H7 H37 2.7273 no 2_565
H7 H48 2.7167 no 1_565
H8 Cl7A 2.8752 no .
H8 C71 3.1990 no .
H11 Cl3 3.0056 no .
H11 C54 3.5131 no 2_666
H11 H54 2.6540 no 2_666
H17 Cl9 3.3806 no .
H17 C40 3.5073 no 1_655
H17 C41 3.1757 no 1_655
H17 H2B 3.5433 no 1_655
H17 H38 3.2588 no 1_655
H17 H40 3.5088 no 1_655
H17 H41 2.9396 no 1_655
H17 H72A 3.3201 no .
H22A Cl3 3.2641 no .
H22A C22 3.1902 no 2_566
H22A H22A 3.1732 no 2_566
H22A H22B 3.4192 no 2_566
H22A H22C 2.5233 no 2_566
H22A H28B 3.3507 no 1_455
H22B C54 3.4950 no 2_666
H22B H22A 3.4192 no 2_566
H22B H22C 3.2480 no 2_566
H22B H27B 2.8129 no 2_666
H22B H28B 3.2092 no 2_666
H22B H54 2.5974 no 2_666
H22C Cl3 3.1562 no 2_566
H22C C22 3.0060 no 2_566
H22C H22A 2.5233 no 2_566
H22C H22B 3.2480 no 2_566
H22C H22C 2.7906 no 2_566
H22C H27B 3.4820 no 2_666
H22C H28B 3.4955 no 2_666
H23A Cl3 3.5783 no 2_566
H23A C27 3.5575 no 2_666
H23A H27A 3.2953 no 2_666
H23A H27B 3.1257 no 2_666
H23B C27 3.0147 no 2_666
H23B H27A 3.1918 no 2_666
H23B H27B 2.5070 no 2_666
H23B H27C 2.8759 no 2_666
H24A C28 3.2846 no 1_455
H24A H28A 2.7417 no 1_455
H24A H28B 2.9919 no 1_455
H24B Cl3 3.2512 no 2_566
H25A Cl1 3.3889 no 1_565
H25A H69A 3.0514 no .
H25B C55 3.3502 no 2_666
H25B C57 3.3295 no 1_565
H25B C58 3.3974 no 1_565
H25B C59 3.3224 no 1_565
H25B C60 3.2032 no 1_565
H25B C61 3.1485 no 1_565
H25B C62 3.1901 no 1_565
H25B H55 2.5625 no 2_666
H25B H64 3.0306 no 1_565
H25C Cl3 3.1533 no .
H25C C55 3.5541 no 2_666
H25C C64 3.3932 no 1_565
H25C C69 3.1538 no .
H25C H54 3.2811 no 2_666
H25C H55 3.0532 no 2_666
H25C H64 3.0025 no 1_565
H25C H69A 2.4829 no .
H25C H69B 3.5544 no .
H26A Cl8 3.3255 no .
H26A C59 3.5949 no 1_565
H26A C60 2.7652 no 1_565
H26A C61 3.1350 no 1_565
H26A H60 2.4746 no 1_565
H26A H61 3.1443 no 1_565
H26B Cl6 3.1993 no .
H26B C60 3.4727 no 1_565
H26B C61 3.1566 no 1_565
H26B C71 3.3472 no .
H26B H60 3.4405 no 1_565
H26B H61 2.8993 no 1_565
H26C Cl6 3.5219 no .
H26C Cl8 3.2237 no .
H26C C71 3.4968 no .
H26C C72 3.0793 no .
H26C H72A 2.4611 no .
H26C H72B 3.2822 no .
H27A Cl8 3.4230 no .
H27A H23A 3.2953 no 2_666
H27A H23B 3.1918 no 2_666
H27A H60 3.3731 no 1_565
H27B C22 3.4973 no 2_666
H27B C23 3.2127 no 2_666
H27B H22B 2.8129 no 2_666
H27B H22C 3.4820 no 2_666
H27B H23A 3.1257 no 2_666
H27B H23B 2.5070 no 2_666
H27C H23B 2.8759 no 2_666
H27C H55 3.1846 no 2_666
H28A C2 3.0063 no 1_655
H28A C40 3.5836 no 1_655
H28A C41 3.4784 no 1_655
H28A H2A 2.5755 no 1_655
H28A H2B 2.6085 no 1_655
H28A H4 3.5655 no 1_655
H28A H24A 2.7417 no 1_655
H28A H40 3.0809 no 1_655
H28A H41 2.8692 no 1_655
H28B H2A 3.5889 no 1_655
H28B H22A 3.3507 no 1_655
H28B H22B 3.2092 no 2_666
H28B H22C 3.4955 no 2_666
H28B H24A 2.9919 no 1_655
H28B H41 3.1624 no 1_655
H28C Cl8 3.0060 no .
H28C C4 3.4272 no 1_655
H28C H2A 3.2161 no 1_655
H28C H2B 3.5667 no 1_655
H28C H4 3.0526 no 1_655
H30A Cl6 3.5642 no 2_665
H30A Cl7A 3.0064 no 2_665
H30A Cl7B 3.2978 no .
H30A Cl7B 3.4966 no 2_665
H30A H72A 3.1276 no .
H30B Cl7B 3.5749 no .
H30C Cl4 3.1209 no 2_665
H30C Cl6 3.4461 no 2_665
H30C H49 3.5307 no 2_655
H31B C42 3.3573 no 1_655
H31B H42 3.0567 no 1_655
H31C Cl4 3.1177 no 1_545
H31C H70B 3.4866 no 1_545
H32A C40 3.4358 no 1_655
H32A C41 3.1903 no 1_655
H32A C42 3.1780 no 1_655
H32A C43 3.4104 no 1_655
H32A H38 2.8010 no 1_655
H32A H41 3.5614 no 1_655
H32A H42 3.5355 no 1_655
H32A H48 3.4497 no 2_655
H32A H70B 2.9640 no 1_545
H32B Cl9 3.3188 no .
H32B C38 3.4988 no 1_655
H32B H37 3.0527 no 1_655
H32B H38 2.7888 no 1_655
H32B H48 2.7623 no 2_655
H32C Cl4 3.4519 no 1_545
H32C C48 3.0322 no 2_655
H32C C49 3.4253 no 2_655
H32C C70 3.3488 no 1_545
H32C H38 3.4594 no 1_655
H32C H48 2.4375 no 2_655
H32C H49 3.1939 no 2_655
H32C H70B 2.5828 no 1_545
H34 H70A 3.0977 no 2_665
H35 Cl5 3.3694 no 2_665
H35 Cl7B 3.2460 no .
H35 H70A 3.4040 no 2_665
H35 H72B 3.2198 no 2_665
H36 Cl7A 3.4261 no .
H36 Cl9 3.1756 no 2_665
H36 C7 3.5134 no 2_565
H36 H7 3.1340 no 2_565
H36 H72B 3.4455 no 2_665
H37 Cl9 3.0130 no 1_455
H37 C7 3.5924 no 2_565
H37 C48 3.4403 no 2_555
H37 H7 2.7273 no 2_565
H37 H32B 3.0527 no 1_455
H37 H47 3.2770 no 2_555
H37 H48 2.7117 no 2_555
H38 C32 3.1722 no 1_455
H38 H17 3.2588 no 1_455
H38 H32A 2.8010 no 1_455
H38 H32B 2.7888 no 1_455
H38 H32C 3.4594 no 1_455
H38 H47 3.2955 no 2_555
H38 H48 3.2002 no 2_555
H40 H17 3.5088 no 1_455
H40 H28A 3.0809 no 1_455
H41 C17 3.2628 no 1_455
H41 C18 3.4835 no 1_455
H41 C28 3.3037 no 1_455
H41 C53 3.3625 no 1_455
H41 H17 2.9396 no 1_455
H41 H28A 2.8692 no 1_455
H41 H28B 3.1624 no 1_455
H41 H32A 3.5614 no 1_455
H41 H52 3.4815 no 1_455
H41 H53 2.6571 no 1_455
H42 C52 3.1898 no 1_455
H42 C53 3.5869 no 1_455
H42 C57 3.5539 no 1_455
H42 C58 3.1966 no 1_455
H42 C59 3.1295 no 1_455
H42 C60 3.3832 no 1_455
H42 H31B 3.0567 no 1_455
H42 H32A 3.5355 no 1_455
H42 H52 2.7256 no 1_455
H42 H53 3.4526 no 1_455
H42 H58 3.5289 no 1_455
H42 H59 3.4520 no 1_455
H42 H65 3.2568 no 2_556
H42 H66 3.2108 no 2_556
H43 Cl2 3.2674 no 1_545
H43 Cl5 3.2497 no 1_445
H43 C59 3.3212 no 1_455
H43 C60 2.7124 no 1_455
H43 C61 3.1472 no 1_455
H43 H59 3.5891 no 1_455
H43 H60 2.5817 no 1_455
H43 H61 3.2881 no 1_455
H43 H70B 3.5773 no 1_445
H44 Cl5 3.2905 no 1_445
H44 H5 3.1231 no 1_545
H44 H6 2.8962 no 1_545
H44 H70B 3.3859 no 1_445
H46 C47 3.0188 no 2_555
H46 C70 3.2392 no 1_445
H46 H6 3.4706 no 1_545
H46 H47 2.5966 no 2_555
H46 H70A 3.0196 no 1_445
H46 H70B 2.7901 no 1_445
H47 C33 3.3693 no 2_555
H47 C36 3.3448 no 2_555
H47 C37 2.9747 no 2_555
H47 C38 2.9884 no 2_555
H47 C46 2.9644 no 2_555
H47 C47 3.3603 no 2_555
H47 C70 3.5959 no 1_445
H47 H6 3.2086 no 1_545
H47 H37 3.2770 no 2_555
H47 H38 3.2955 no 2_555
H47 H46 2.5966 no 2_555
H47 H47 3.3397 no 2_555
H47 H70A 2.8889 no 1_445
H48 C7 3.4925 no 1_545
H48 C32 3.0073 no 2_655
H48 C37 3.1060 no 2_555
H48 C38 3.3727 no 2_555
H48 H6 3.3597 no 1_545
H48 H7 2.7167 no 1_545
H48 H32A 3.4497 no 2_655
H48 H32B 2.7623 no 2_655
H48 H32C 2.4375 no 2_655
H48 H37 2.7117 no 2_555
H48 H38 3.2002 no 2_555
H48 H70B 3.3235 no 2_665
H49 Cl4 3.4495 no 1_545
H49 Cl6 3.2715 no 1_545
H49 H30C 3.5307 no 2_655
H49 H32C 3.1939 no 2_655
H52 C42 3.4513 no 1_655
H52 H41 3.4815 no 1_655
H52 H42 2.7256 no 1_655
H53 C41 3.4891 no 1_655
H53 H41 2.6571 no 1_655
H53 H42 3.4526 no 1_655
H53 H65 3.1555 no 2_656
H54 C11 3.0143 no 2_666
H54 C12 3.5355 no 2_666
H54 C22 3.5179 no 2_666
H54 H11 2.6540 no 2_666
H54 H22B 2.5974 no 2_666
H54 H25C 3.2811 no 2_666
H54 H65 3.2541 no 2_656
H55 C12 3.1988 no 2_666
H55 C25 3.0586 no 2_666
H55 C59 3.5210 no 2_656
H55 H25B 2.5625 no 2_666
H55 H25C 3.0532 no 2_666
H55 H27C 3.1846 no 2_666
H55 H59 3.4044 no 2_656
H55 H64 3.0232 no 2_656
H56 C58 3.2841 no 2_656
H56 C59 3.1531 no 2_656
H56 H58 2.8886 no 2_656
H56 H59 2.6157 no 2_656
H56 H64 3.3215 no 2_656
H58 C56 3.4420 no 2_656
H58 C64 3.0102 no 2_656
H58 C65 2.9500 no 2_656
H58 H42 3.5289 no 1_655
H58 H56 2.8886 no 2_656
H58 H58 3.4700 no 2_656
H58 H64 3.0730 no 2_656
H58 H65 2.9749 no 2_656
H59 Cl2 3.1819 no 1_645
H59 C56 3.4391 no 2_656
H59 C65 3.3868 no 2_656
H59 C66 3.1187 no 2_656
H59 C67 3.3349 no 2_656
H59 H42 3.4520 no 1_655
H59 H43 3.5891 no 1_655
H59 H55 3.4044 no 2_656
H59 H56 2.6157 no 2_656
H59 H66 3.3334 no 2_656
H60 Cl2 3.1126 no 1_645
H60 Cl8 3.1126 no 1_545
H60 C26 3.3252 no 1_545
H60 C43 3.4766 no 1_655
H60 H26A 2.4746 no 1_545
H60 H26B 3.4405 no 1_545
H60 H27A 3.3731 no 1_545
H60 H43 2.5817 no 1_655
H61 Cl5 3.4602 no 1_545
H61 Cl6 3.3995 no 1_545
H61 C26 3.4454 no 1_545
H61 H26A 3.1443 no 1_545
H61 H26B 2.8993 no 1_545
H61 H43 3.2881 no 1_655
H64 C25 3.4673 no 1_545
H64 C54 3.5598 no 2_656
H64 C55 2.9950 no 2_656
H64 C56 3.1821 no 2_656
H64 H25B 3.0306 no 1_545
H64 H25C 3.0025 no 1_545
H64 H55 3.0232 no 2_656
H64 H56 3.3215 no 2_656
H64 H58 3.0730 no 2_656
H65 Cl3 3.4434 no 1_545
H65 C51 3.5943 no 2_656
H65 C52 3.2265 no 2_656
H65 C53 2.8568 no 2_656
H65 C54 2.9071 no 2_656
H65 C55 3.2783 no 2_656
H65 C56 3.5983 no 2_656
H65 C58 3.5541 no 2_656
H65 H42 3.2568 no 2_556
H65 H53 3.1555 no 2_656
H65 H54 3.2541 no 2_656
H65 H58 2.9749 no 2_656
H65 H69B 3.5028 no 1_545
H66 Cl2 3.5362 no 2_566
H66 C42 3.3526 no 2_556
H66 C67 3.2094 no 2_556
H66 H42 3.2108 no 2_556
H66 H59 3.3334 no 2_656
H66 H67 2.6940 no 2_556
H66 H69B 3.2754 no 1_545
H66 H69B 3.0879 no 2_566
H67 Cl2 3.2775 no 2_566
H67 Cl3 3.1361 no 2_566
H67 C66 3.0785 no 2_556
H67 C67 3.4083 no 2_556
H67 C69 3.0551 no 2_566
H67 H66 2.6940 no 2_556
H67 H67 3.2847 no 2_556
H67 H69B 3.3783 no 1_545
H67 H69B 2.6307 no 2_566
H69A Cl1 2.8297 no 1_565
H69A C4 3.4048 no .
H69A C5 3.0505 no .
H69A C25 3.1969 no .
H69A H4 2.9935 no .
H69A H5 2.3045 no .
H69A H25A 3.0514 no .
H69A H25C 2.4829 no .
H69B Cl1 3.4181 no 1_565
H69B C63 3.3962 no 1_565
H69B C64 3.2962 no 1_565
H69B C65 3.0291 no 1_565
H69B C66 2.8609 no 1_565
H69B C67 2.9380 no 1_565
H69B C67 3.3810 no 2_566
H69B C68 3.1938 no 1_565
H69B H25C 3.5544 no .
H69B H65 3.5028 no 1_565
H69B H66 3.2754 no 1_565
H69B H66 3.0879 no 2_566
H69B H67 3.3783 no 1_565
H69B H67 2.6307 no 2_566
H70A C34 3.1031 no 2_665
H70A C35 3.2770 no 2_665
H70A C45 3.3825 no 2_665
H70A C46 3.2711 no 2_665
H70A C47 3.5584 no 1_665
H70A C47 3.2245 no 2_665
H70A C48 3.2336 no 2_665
H70A C49 3.3124 no 2_665
H70A C50 3.3839 no 2_665
H70A H34 3.0977 no 2_665
H70A H35 3.4040 no 2_665
H70A H46 3.0196 no 1_665
H70A H47 2.8889 no 1_665
H70B C32 3.2135 no 1_565
H70B C44 3.4957 no 1_665
H70B C47 3.5881 no 2_665
H70B C48 3.2835 no 2_665
H70B H31C 3.4866 no 1_565
H70B H32A 2.9640 no 1_565
H70B H32C 2.5828 no 1_565
H70B H43 3.5773 no 1_665
H70B H44 3.3859 no 1_665
H70B H46 2.7901 no 1_665
H70B H48 3.3235 no 2_665
H72A C15 3.4548 no .
H72A C16 3.1960 no .
H72A C17 2.9561 no .
H72A C18 3.0375 no .
H72A C19 3.2792 no .
H72A C20 3.4412 no .
H72A C26 3.3893 no .
H72A H17 3.3201 no .
H72A H26C 2.4611 no .
H72A H30A 3.1276 no .
H72B Cl5 3.4958 no .
H72B Cl6 3.0073 no .
H72B Cl7A 3.3071 no 2_665
H72B Cl7B 3.4148 no .
H72B Cl7B 3.3633 no 2_665
H72B H26C 3.2822 no .
H72B H35 3.2198 no 2_665
H72B H36 3.4455 no 2_665
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cl1 Rh1 P2 C51 -174.39(11) no . . .
Cl1 Rh1 P2 C57 64.60(8) no . . .
Cl1 Rh1 P2 C63 -54.81(8) no . . .
Cl1 Rh1 P3 C33 -171.05(11) no . . .
Cl1 Rh1 P3 C39 66.77(8) no . . .
Cl1 Rh1 P3 C45 -52.46(9) no . . .
P1 Rh1 P2 C51 -0.44(11) no . . .
P1 Rh1 P2 C57 -121.46(9) no . . .
P1 Rh1 P2 C63 119.14(8) no . . .
P2 Rh1 P1 O1 -147.66(9) no . . .
P2 Rh1 P1 O3 -32.84(10) no . . .
P2 Rh1 P1 O4 94.13(11) no . . .
P1 Rh1 P3 C33 14.95(11) no . . .
P1 Rh1 P3 C39 -107.24(9) no . . .
P1 Rh1 P3 C45 133.54(9) no . . .
P3 Rh1 P1 O1 29.75(10) no . . .
P3 Rh1 P1 O3 144.57(9) no . . .
P3 Rh1 P1 O4 -88.46(11) no . . .
Cl7B Cl7A C71 Cl6 98.1(10) no . . .
Cl7B Cl7A C71 Cl7B -0.0(5) no . . .
C71 Cl7A Cl7B Cl7B -130.8(12) no . . 2_665
C71 Cl7A Cl7B C71 -0.0(6) no . . .
Cl7A Cl7B Cl7B Cl7A 180(638825) no . 2_665 2_665
Cl7A Cl7B Cl7B C71 -110.4(16) no . 2_665 2_665
Cl7A Cl7B C71 Cl6 -114.6(9) no . . .
Cl7A Cl7B C71 Cl7A -0.0(5) no . . .
Cl7B Cl7B C71 Cl6 -15(2) no 2_665 . .
Cl7B Cl7B C71 Cl7A 99.4(16) no 2_665 . .
C71 Cl7B Cl7B Cl7A 110.4(17) no . 2_665 2_665
C71 Cl7B Cl7B C71 180(702230) no . 2_665 2_665
Rh1 P1 O1 C1 -151.4(4) no . . .
Rh1 P1 O3 C9 -161.9(2) no . . .
Rh1 P1 O4 C15 -110.7(4) no . . .
O1 P1 O3 C9 -40.0(4) no . . .
O3 P1 O1 C1 85.5(5) no . . .
O1 P1 O4 C15 124.5(4) no . . .
O4 P1 O1 C1 -21.0(5) no . . .
O3 P1 O4 C15 21.0(5) no . . .
O4 P1 O3 C9 62.7(4) no . . .
Rh1 P2 C51 C52 -65.4(5) no . . .
Rh1 P2 C51 C56 115.1(5) no . . .
Rh1 P2 C57 C58 175.7(4) no . . .
Rh1 P2 C57 C62 -0.9(6) no . . .
Rh1 P2 C63 C64 136.7(4) no . . .
Rh1 P2 C63 C68 -47.1(5) no . . .
C51 P2 C57 C58 41.0(5) no . . .
C51 P2 C57 C62 -135.6(5) no . . .
C57 P2 C51 C52 61.6(5) no . . .
C57 P2 C51 C56 -117.8(5) no . . .
C51 P2 C63 C64 -89.9(5) no . . .
C51 P2 C63 C68 86.3(5) no . . .
C63 P2 C51 C52 172.0(5) no . . .
C63 P2 C51 C56 -7.4(6) no . . .
C57 P2 C63 C64 13.9(6) no . . .
C57 P2 C63 C68 -169.9(4) no . . .
C63 P2 C57 C58 -64.5(5) no . . .
C63 P2 C57 C62 118.8(5) no . . .
Rh1 P3 C33 C34 55.0(5) no . . .
Rh1 P3 C33 C38 -130.7(4) no . . .
Rh1 P3 C39 C40 68.8(5) no . . .
Rh1 P3 C39 C44 -104.4(5) no . . .
Rh1 P3 C45 C46 161.7(4) no . . .
Rh1 P3 C45 C50 -24.9(6) no . . .
C33 P3 C39 C40 -65.7(5) no . . .
C33 P3 C39 C44 121.1(6) no . . .
C39 P3 C33 C34 178.4(4) no . . .
C39 P3 C33 C38 -7.3(6) no . . .
C33 P3 C45 C46 -64.6(6) no . . .
C33 P3 C45 C50 108.9(5) no . . .
C45 P3 C33 C34 -71.3(5) no . . .
C45 P3 C33 C38 103.0(5) no . . .
C39 P3 C45 C46 42.9(6) no . . .
C39 P3 C45 C50 -143.7(5) no . . .
C45 P3 C39 C40 -167.8(5) no . . .
C45 P3 C39 C44 19.0(6) no . . .
P1 O1 C1 O2 21.6(9) no . . .
P1 O1 C1 C2 -160.6(4) no . . .
P1 O3 C9 C10 111.5(5) no . . .
P1 O3 C9 C14 -67.3(6) no . . .
P1 O4 C15 C16 128.7(5) no . . .
P1 O4 C15 C20 -53.6(8) no . . .
O1 C1 C2 C3 175.7(5) no . . .
O2 C1 C2 C3 -6.6(11) no . . .
C1 C2 C3 C4 -117.1(8) no . . .
C1 C2 C3 C8 52.9(10) no . . .
C2 C3 C4 C5 -179.8(8) no . . .
C2 C3 C8 C7 -179.2(9) no . . .
C4 C3 C8 C7 -9.0(18) no . . .
C8 C3 C4 C5 9.7(16) no . . .
C3 C4 C5 C6 -4.4(17) no . . .
C4 C5 C6 C7 -2(2) no . . .
C5 C6 C7 C8 3(3) no . . .
C6 C7 C8 C3 3(3) no . . .
O3 C9 C10 C11 -171.7(5) no . . .
O3 C9 C10 C21 12.2(9) no . . .
O3 C9 C14 C13 166.6(5) no . . .
O3 C9 C14 C20 -15.7(9) no . . .
C10 C9 C14 C13 -12.2(10) no . . .
C10 C9 C14 C20 165.5(6) no . . .
C14 C9 C10 C11 7.0(9) no . . .
C14 C9 C10 C21 -169.1(6) no . . .
C9 C10 C11 C12 1.5(9) no . . .
C9 C10 C21 C22 171.7(6) no . . .
C9 C10 C21 C23 53.2(8) no . . .
C9 C10 C21 C24 -68.3(8) no . . .
C11 C10 C21 C22 -4.1(8) no . . .
C11 C10 C21 C23 -122.6(6) no . . .
C11 C10 C21 C24 115.9(7) no . . .
C21 C10 C11 C12 177.6(5) no . . .
C10 C11 C12 C13 -4.5(10) no . . .
C10 C11 C12 C25 177.1(6) no . . .
C11 C12 C13 C14 -0.7(10) no . . .
C11 C12 C13 C26 177.3(6) no . . .
C25 C12 C13 C14 177.6(6) no . . .
C25 C12 C13 C26 -4.4(10) no . . .
C12 C13 C14 C9 8.6(9) no . . .
C12 C13 C14 C20 -169.1(6) no . . .
C26 C13 C14 C9 -169.4(6) no . . .
C26 C13 C14 C20 12.9(9) no . . .
C9 C14 C20 C15 60.7(9) no . . .
C9 C14 C20 C19 -119.3(7) no . . .
C13 C14 C20 C15 -121.6(7) no . . .
C13 C14 C20 C19 58.3(9) no . . .
O4 C15 C16 C17 -175.8(5) no . . .
O4 C15 C16 C29 5.9(10) no . . .
O4 C15 C20 C14 -6.2(10) no . . .
O4 C15 C20 C19 173.9(5) no . . .
C16 C15 C20 C14 171.3(6) no . . .
C16 C15 C20 C19 -8.6(10) no . . .
C20 C15 C16 C17 6.7(10) no . . .
C20 C15 C16 C29 -171.7(6) no . . .
C15 C16 C17 C18 -1.2(10) no . . .
C15 C16 C29 C30 59.9(8) no . . .
C15 C16 C29 C31 -62.7(9) no . . .
C15 C16 C29 C32 177.9(6) no . . .
C17 C16 C29 C30 -118.3(7) no . . .
C17 C16 C29 C31 119.0(7) no . . .
C17 C16 C29 C32 -0.4(9) no . . .
C29 C16 C17 C18 177.2(6) no . . .
C16 C17 C18 C19 -2.2(11) no . . .
C16 C17 C18 C28 175.1(6) no . . .
C17 C18 C19 C20 0.4(10) no . . .
C17 C18 C19 C27 176.7(6) no . . .
C28 C18 C19 C20 -176.9(6) no . . .
C28 C18 C19 C27 -0.7(10) no . . .
C18 C19 C20 C14 -175.2(6) no . . .
C18 C19 C20 C15 4.8(10) no . . .
C27 C19 C20 C14 8.7(10) no . . .
C27 C19 C20 C15 -171.4(6) no . . .
P3 C33 C34 C35 176.0(5) no . . .
P3 C33 C38 C37 -175.0(5) no . . .
C34 C33 C38 C37 -0.8(10) no . . .
C38 C33 C34 C35 1.3(10) no . . .
C33 C34 C35 C36 -1.4(11) no . . .
C34 C35 C36 C37 0.8(12) no . . .
C35 C36 C37 C38 -0.2(12) no . . .
C36 C37 C38 C33 0.2(11) no . . .
P3 C39 C40 C41 -173.6(5) no . . .
P3 C39 C44 C43 174.4(5) no . . .
C40 C39 C44 C43 1.4(11) no . . .
C44 C39 C40 C41 -0.1(11) no . . .
C39 C40 C41 C42 -1.0(12) no . . .
C40 C41 C42 C43 0.8(12) no . . .
C41 C42 C43 C44 0.6(13) no . . .
C42 C43 C44 C39 -1.6(13) no . . .
P3 C45 C46 C47 176.3(5) no . . .
P3 C45 C50 C49 -174.9(5) no . . .
C46 C45 C50 C49 -1.4(11) no . . .
C50 C45 C46 C47 2.9(11) no . . .
C45 C46 C47 C48 -2.5(11) no . . .
C46 C47 C48 C49 0.6(12) no . . .
C47 C48 C49 C50 0.9(12) no . . .
C48 C49 C50 C45 -0.5(12) no . . .
P2 C51 C52 C53 179.6(5) no . . .
P2 C51 C56 C55 -178.8(5) no . . .
C52 C51 C56 C55 1.7(10) no . . .
C56 C51 C52 C53 -1.0(10) no . . .
C51 C52 C53 C54 -0.8(11) no . . .
C52 C53 C54 C55 1.8(11) no . . .
C53 C54 C55 C56 -1.1(12) no . . .
C54 C55 C56 C51 -0.7(11) no . . .
P2 C57 C58 C59 -177.9(4) no . . .
P2 C57 C62 C61 175.7(4) no . . .
C58 C57 C62 C61 -1.0(10) no . . .
C62 C57 C58 C59 -1.2(10) no . . .
C57 C58 C59 C60 2.0(10) no . . .
C58 C59 C60 C61 -0.6(10) no . . .
C59 C60 C61 C62 -1.7(11) no . . .
C60 C61 C62 C57 2.5(11) no . . .
P2 C63 C64 C65 174.2(4) no . . .
P2 C63 C68 C67 -173.7(4) no . . .
C64 C63 C68 C67 2.7(10) no . . .
C68 C63 C64 C65 -2.0(9) no . . .
C63 C64 C65 C66 -0.2(10) no . . .
C64 C65 C66 C67 1.6(11) no . . .
C65 C66 C67 C68 -0.9(11) no . . .
C66 C67 C68 C63 -1.3(11) no . . .
