#------------------------------------------------------------------------------
#$Date: 2016-03-21 02:27:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178390 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/12/4021282.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_4021282
loop_
_publ_author_name
'Mohamed Aghmiz'
'Ali Aghmiz'
'Yolanda Díaz'
'Anna Masdeu-Bultó'
'Carmen Claver'
'Sergio Castillón'
_publ_section_title
;
 C₂-Symmetric Diphosphinite Ligands Derived from Carbohydrates.
 The Strong Influence of Remote Stereocenters
 on Asymmetric Rhodium-Catalyzed Hydrogenation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7502
_journal_page_last               7510
_journal_paper_doi               10.1021/jo0496502
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C80 H92 B2 Cl8 F8 O6 P4 Rh2'
_chemical_formula_sum            'C80 H92 B2 Cl8 F8 O6 P4 Rh2'
_chemical_formula_weight         968.23
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.683(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.0767(19)
_cell_length_b                   20.018(4)
_cell_length_c                   19.139(3)
_cell_measurement_temperature    125.0(1)
_cell_volume                     4229.6(13)
_diffrn_ambient_temperature      125.0(1)
_exptl_crystal_density_diffrn    1.521
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021282
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Rh Rh 0.77227(5) 0.50211(2) 0.04350(3) 0.01765(14) Uani 1 1 d . B .
P1 P 0.7399(2) 0.61606(11) 0.04137(11) 0.0199(4) Uani 1 1 d . . .
O2 O 0.6320(5) 0.6497(3) -0.0081(3) 0.0263(13) Uani 1 1 d . . .
C3 C 0.6040(6) 0.6332(4) -0.0798(3) 0.0251(14) Uani 1 1 d . . .
H3 H 0.6745 0.6447 -0.1069 0.03 Uiso 1 1 calc R . .
C4 C 0.5704(5) 0.5606(3) -0.0924(3) 0.0209(13) Uani 1 1 d . . .
H4 H 0.5524 0.5387 -0.0474 0.025 Uiso 1 1 calc R . .
O5 O 0.6647(5) 0.5252(4) -0.1240(3) 0.0284(16) Uani 1 1 d . . .
P6 P 0.77789(17) 0.49431(13) -0.07548(10) 0.0195(4) Uani 1 1 d . . .
C7 C 0.7668(9) 0.3905(5) 0.0561(5) 0.029(2) Uani 1 1 d . B .
H7 H 0.7389 0.3657 0.0123 0.034 Uiso 1 1 calc R . .
C8 C 0.7026(11) 0.3707(5) 0.1200(6) 0.043(3) Uani 1 1 d . . .
H8A H 0.6181 0.3584 0.1044 0.052 Uiso 0.4 1 calc PR A 1
H8B H 0.7426 0.3303 0.1408 0.052 Uiso 0.4 1 calc PR A 1
H8C H 0.6476 0.3342 0.1073 0.052 Uiso 0.6 1 d PR A 2
H8D H 0.7626 0.3543 0.1557 0.052 Uiso 0.6 1 d PR A 2
C9A C 0.700(2) 0.4187(13) 0.1720(13) 0.035(6) Uiso 0.4 1 d P B 1
H9C H 0.7674 0.4093 0.2077 0.042 Uiso 0.4 1 calc PR B 1
H9D H 0.6236 0.4126 0.195 0.042 Uiso 0.4 1 calc PR B 1
C9B C 0.6358(12) 0.4261(7) 0.1512(7) 0.024(3) Uiso 0.6 1 d P B 2
H9E H 0.6197 0.4143 0.1998 0.029 Uiso 0.6 1 calc PR B 2
H9F H 0.5569 0.4326 0.1238 0.029 Uiso 0.6 1 calc PR B 2
C10 C 0.7078(9) 0.4911(5) 0.1517(4) 0.035(2) Uani 1 1 d . . .
H10A H 0.646 0.5231 0.1672 0.042 Uiso 0.4 1 calc PR B 1
H10B H 0.6569 0.5289 0.1631 0.042 Uiso 0.6 1 d PR B 2
C11 C 0.8879(8) 0.4105(5) 0.0597(4) 0.0268(19) Uani 1 1 d . . .
H11 H 0.9314 0.3975 0.018 0.032 Uiso 1 1 calc R B .
C12 C 0.9693(9) 0.4193(7) 0.1261(5) 0.044(3) Uani 1 1 d . B .
H12A H 0.9584 0.3794 0.1555 0.053 Uiso 0.4 1 calc PR C 1
H12B H 1.0538 0.4181 0.1128 0.053 Uiso 0.4 1 calc PR C 1
H12C H 1.0415 0.4432 0.1151 0.053 Uiso 0.6 1 d PR C 2
H12D H 0.9945 0.3752 0.1425 0.053 Uiso 0.6 1 d PR C 2
C13A C 0.9594(17) 0.4724(11) 0.1665(10) 0.022(4) Uiso 0.4 1 d P B 1
H13A H 1.022 0.5052 0.1556 0.026 Uiso 0.4 1 calc PR B 1
H13B H 0.977 0.4586 0.216 0.026 Uiso 0.4 1 calc PR B 1
C13B C 0.9143(11) 0.4548(8) 0.1837(7) 0.023(3) Uiso 0.6 1 d P B 2
H13C H 0.9798 0.4742 0.2157 0.027 Uiso 0.6 1 calc PR B 2
H13D H 0.8702 0.4221 0.2108 0.027 Uiso 0.6 1 calc PR B 2
C14 C 0.8292(9) 0.5091(6) 0.1590(4) 0.037(2) Uani 1 1 d . B .
H14A H 0.8378 0.5569 0.1737 0.044 Uiso 0.4 1 calc PR D 1
H14B H 0.8471 0.554 0.1776 0.044 Uiso 0.6 1 d PR D 2
C15 C 0.4915(7) 0.6733(4) -0.1094(4) 0.0321(16) Uani 1 1 d . . .
H15 H 0.5182 0.7174 -0.1275 0.038 Uiso 1 1 calc R . .
O16 O 0.4479(5) 0.6318(3) -0.1679(3) 0.0359(14) Uani 1 1 d . . .
C17 C 0.4553(6) 0.5628(4) -0.1438(4) 0.0267(14) Uani 1 1 d . . .
H17 H 0.3836 0.5536 -0.1167 0.032 Uiso 1 1 calc R . .
C18 C 0.4016(7) 0.6848(5) -0.0569(5) 0.042(2) Uani 1 1 d . . .
H18A H 0.3298 0.7068 -0.0796 0.063 Uiso 1 1 calc R . .
H18B H 0.4377 0.7132 -0.0191 0.063 Uiso 1 1 calc R . .
H18C H 0.3783 0.6419 -0.0374 0.063 Uiso 1 1 calc R . .
C19 C 0.4503(7) 0.5168(5) -0.2051(4) 0.042(2) Uani 1 1 d . . .
H19A H 0.3761 0.5252 -0.2353 0.063 Uiso 1 1 calc R . .
H19B H 0.4505 0.4704 -0.1886 0.063 Uiso 1 1 calc R . .
H19C H 0.5209 0.5244 -0.2317 0.063 Uiso 1 1 calc R . .
C20 C 0.7005(8) 0.6550(5) 0.1234(5) 0.0277(19) Uani 1 1 d . . .
C21 C 0.5809(8) 0.6478(5) 0.1402(5) 0.037(2) Uani 1 1 d . . .
H21 H 0.5229 0.6251 0.1095 0.044 Uiso 1 1 calc R . .
C22 C 0.5486(11) 0.6752(6) 0.2041(6) 0.054(3) Uani 1 1 d . . .
H22 H 0.4671 0.672 0.2158 0.064 Uiso 1 1 calc R . .
C23 C 0.6327(13) 0.7062(6) 0.2495(6) 0.058(3) Uani 1 1 d . . .
H23 H 0.6092 0.7229 0.2928 0.07 Uiso 1 1 calc R . .
C24 C 0.7516(12) 0.7136(5) 0.2330(5) 0.052(3) Uani 1 1 d . . .
H24 H 0.8099 0.7351 0.2645 0.062 Uiso 1 1 calc R . .
C25 C 0.7846(9) 0.6879(5) 0.1672(4) 0.035(2) Uani 1 1 d . . .
H25 H 0.8648 0.6938 0.154 0.042 Uiso 1 1 calc R . .
C27 C 0.8760(7) 0.6603(4) 0.0225(4) 0.0244(17) Uani 1 1 d . . .
C28 C 0.8635(9) 0.7206(5) -0.0175(5) 0.038(2) Uani 1 1 d . . .
H28 H 0.7856 0.7369 -0.0336 0.046 Uiso 1 1 calc R . .
C29 C 0.9678(11) 0.7550(6) -0.0324(6) 0.053(3) Uani 1 1 d . . .
H29 H 0.9602 0.7954 -0.0585 0.064 Uiso 1 1 calc R . .
C30 C 1.0788(9) 0.7325(5) -0.0107(5) 0.045(2) Uani 1 1 d . . .
H30 H 1.1484 0.7565 -0.0223 0.053 Uiso 1 1 calc R . .
C31 C 1.0923(8) 0.6724(5) 0.0297(6) 0.044(2) Uani 1 1 d . . .
H31 H 1.1705 0.6566 0.046 0.052 Uiso 1 1 calc R . .
C32 C 0.9875(8) 0.6371(5) 0.0450(5) 0.034(2) Uani 1 1 d . . .
H32 H 0.9951 0.5968 0.0712 0.041 Uiso 1 1 calc R . .
C33 C 0.9092(7) 0.5304(5) -0.1101(4) 0.0241(18) Uani 1 1 d . . .
C34 C 0.9039(7) 0.5590(5) -0.1765(4) 0.0278(19) Uani 1 1 d . . .
H34 H 0.8287 0.5615 -0.2039 0.033 Uiso 1 1 calc R . .
C35 C 1.0088(7) 0.5840(6) -0.2031(5) 0.036(2) Uani 1 1 d . . .
H35 H 1.0045 0.6037 -0.2484 0.043 Uiso 1 1 calc R . .
C36 C 1.1203(7) 0.5801(5) -0.1629(4) 0.032(2) Uani 1 1 d . . .
H36 H 1.1918 0.5972 -0.1805 0.039 Uiso 1 1 calc R . .
C37 C 1.1243(7) 0.5510(6) -0.0974(4) 0.037(2) Uani 1 1 d . . .
H37 H 1.1994 0.5482 -0.0698 0.044 Uiso 1 1 calc R . .
C38 C 1.0203(7) 0.5258(5) -0.0711(4) 0.030(2) Uani 1 1 d . . .
H38 H 1.0252 0.5052 -0.0262 0.037 Uiso 1 1 calc R . .
C39 C 0.7736(9) 0.4100(5) -0.1111(4) 0.0285(19) Uani 1 1 d . . .
C40 C 0.8783(11) 0.3758(5) -0.1259(5) 0.042(2) Uani 1 1 d . . .
H40 H 0.9555 0.3968 -0.121 0.051 Uiso 1 1 calc R . .
C41 C 0.8652(12) 0.3079(5) -0.1485(5) 0.057(3) Uani 1 1 d . . .
H41 H 0.9344 0.2827 -0.1586 0.069 Uiso 1 1 calc R . .
C42 C 0.7514(13) 0.2793(7) -0.1558(6) 0.061(3) Uani 1 1 d . . .
H42 H 0.7442 0.2348 -0.1728 0.073 Uiso 1 1 calc R . .
C43 C 0.6522(12) 0.3104(6) -0.1403(6) 0.052(3) Uani 1 1 d . . .
H43 H 0.5763 0.2881 -0.1437 0.063 Uiso 1 1 calc R . .
C44 C 0.6615(12) 0.3776(6) -0.1186(6) 0.044(3) Uani 1 1 d . . .
H44 H 0.5904 0.4013 -0.1088 0.052 Uiso 1 1 calc R . .
Rh50 Rh 0.73603(5) 0.45989(2) 0.45474(3) 0.01775(14) Uani 1 1 d . E .
P51 P 0.77244(18) 0.34724(11) 0.45188(11) 0.0192(4) Uani 1 1 d . . .
O52 O 0.8844(5) 0.3174(3) 0.5022(3) 0.0263(13) Uani 1 1 d . . .
C53 C 0.9470(5) 0.3609(4) 0.5527(3) 0.0251(14) Uani 1 1 d . . .
H53 H 0.9602 0.4057 0.5316 0.03 Uiso 1 1 calc R . .
C54 C 0.8808(6) 0.3678(4) 0.6179(4) 0.0282(15) Uani 1 1 d . . .
H54 H 0.8124 0.335 0.6162 0.034 Uiso 1 1 calc R . .
O55 O 0.8344(5) 0.4347(3) 0.6275(3) 0.0223(13) Uani 1 1 d . . .
P56 P 0.72508(16) 0.46353(14) 0.57474(10) 0.0198(4) Uani 1 1 d . . .
C57 C 0.6261(7) 0.5534(5) 0.4431(4) 0.0252(19) Uani 1 1 d . E .
H57 H 0.5834 0.5646 0.4857 0.03 Uiso 1 1 calc R . .
C58 C 0.5416(9) 0.5481(7) 0.3768(5) 0.044(3) Uani 1 1 d . . .
H58A H 0.5192 0.5938 0.3609 0.053 Uiso 0.522(18) 1 calc PR E 1
H58B H 0.4664 0.5254 0.3886 0.053 Uiso 0.522(18) 1 calc PR E 1
H58C H 0.4601 0.5527 0.3913 0.053 Uiso 0.478(18) 1 d PR E 2
H58D H 0.5559 0.5868 0.3482 0.053 Uiso 0.478(18) 1 d PR E 2
C59A C 0.5919(14) 0.5108(10) 0.3158(8) 0.028(4) Uiso 0.522(18) 1 d P E 1
H59A H 0.5235 0.4915 0.2859 0.033 Uiso 0.522(18) 1 calc PR E 1
H59B H 0.6339 0.5431 0.287 0.033 Uiso 0.522(18) 1 calc PR E 1
C59B C 0.5418(16) 0.4872(10) 0.3329(10) 0.029(5) Uiso 0.478(18) 1 d P E 2
H59C H 0.5167 0.4985 0.2835 0.035 Uiso 0.478(18) 1 calc PR E 2
H59D H 0.4837 0.4542 0.3492 0.035 Uiso 0.478(18) 1 calc PR E 2
C60 C 0.6792(9) 0.4553(6) 0.3388(4) 0.039(2) Uani 1 1 d . . .
H60A H 0.6618 0.41 0.3183 0.046 Uiso 0.522(18) 1 calc PR E 1
H60B H 0.6746 0.4074 0.3238 0.046 Uiso 0.478(18) 1 d PR E 2
C61 C 0.7973(12) 0.4745(6) 0.3467(5) 0.046(3) Uani 1 1 d . E .
H61A H 0.8502 0.4363 0.3349 0.055 Uiso 0.522(18) 1 calc PR E 1
H61B H 0.858 0.4434 0.3312 0.055 Uiso 0.478(18) 1 d PR E 2
C62A C 0.8744(14) 0.5418(8) 0.3507(8) 0.024(4) Uiso 0.522(18) 1 d P E 1
H62A H 0.9559 0.5326 0.3739 0.029 Uiso 0.522(18) 1 calc PR E 1
H62B H 0.8846 0.5578 0.3026 0.029 Uiso 0.522(18) 1 calc PR E 1
C62B C 0.8077(16) 0.5470(9) 0.3283(9) 0.023(4) Uiso 0.478(18) 1 d P E 2
H62C H 0.8801 0.553 0.3019 0.027 Uiso 0.478(18) 1 calc PR E 2
H62D H 0.736 0.5597 0.2969 0.027 Uiso 0.478(18) 1 calc PR E 2
C63 C 0.8170(11) 0.5929(6) 0.3888(6) 0.048(3) Uani 1 1 d . . .
H63A H 0.7645 0.619 0.3545 0.057 Uiso 0.522(18) 1 calc PR E 1
H63B H 0.8813 0.6235 0.4085 0.057 Uiso 0.522(18) 1 calc PR E 1
H63C H 0.7907 0.6369 0.3725 0.057 Uiso 0.478(18) 1 d PR E 2
H63D H 0.9014 0.5965 0.4064 0.057 Uiso 0.478(18) 1 d PR E 2
C64 C 0.7419(9) 0.5737(5) 0.4473(5) 0.029(2) Uani 1 1 d . E .
H64 H 0.7683 0.5959 0.4929 0.035 Uiso 1 1 calc R . .
C65 C 1.0681(6) 0.3290(4) 0.5782(4) 0.0306(16) Uani 1 1 d . . .
H65 H 1.1299 0.3654 0.5841 0.037 Uiso 1 1 calc R . .
O66 O 1.0499(6) 0.3029(4) 0.6466(3) 0.0494(19) Uani 1 1 d . . .
C67 C 0.9730(8) 0.3502(5) 0.6784(4) 0.049(2) Uani 1 1 d . . .
H67 H 0.9296 0.326 0.7145 0.059 Uiso 1 1 calc R . .
C68 C 1.1189(8) 0.2746(5) 0.5361(5) 0.043(2) Uani 1 1 d . . .
H68A H 1.1944 0.2582 0.5604 0.064 Uiso 1 1 calc R . .
H68B H 1.1354 0.292 0.49 0.064 Uiso 1 1 calc R . .
H68C H 1.0604 0.2379 0.5302 0.064 Uiso 1 1 calc R . .
C69 C 1.0396(10) 0.4048(7) 0.7126(5) 0.068(3) Uani 1 1 d . . .
H69A H 1.1054 0.3869 0.7446 0.102 Uiso 1 1 calc R . .
H69B H 0.985 0.4314 0.7392 0.102 Uiso 1 1 calc R . .
H69C H 1.0736 0.433 0.6773 0.102 Uiso 1 1 calc R . .
C70 C 0.6425(7) 0.2971(5) 0.4735(5) 0.0261(18) Uani 1 1 d . . .
C71 C 0.6548(9) 0.2411(5) 0.5120(5) 0.035(2) Uani 1 1 d . . .
H71 H 0.7326 0.2273 0.5313 0.042 Uiso 1 1 calc R . .
C72 C 0.5525(10) 0.2033(6) 0.5234(5) 0.044(3) Uani 1 1 d . . .
H72 H 0.5604 0.1645 0.552 0.052 Uiso 1 1 calc R . .
C73 C 0.4389(9) 0.2221(6) 0.4932(5) 0.045(3) Uani 1 1 d . . .
H73 H 0.3698 0.1953 0.4997 0.054 Uiso 1 1 calc R . .
C74 C 0.4278(8) 0.2775(5) 0.4554(6) 0.043(2) Uani 1 1 d . . .
H74 H 0.3501 0.2905 0.4352 0.051 Uiso 1 1 calc R . .
C75 C 0.5272(7) 0.3169(5) 0.4448(5) 0.032(2) Uani 1 1 d . . .
H75 H 0.5176 0.357 0.4184 0.038 Uiso 1 1 calc R . .
C76 C 0.8132(7) 0.3097(5) 0.3714(4) 0.0238(18) Uani 1 1 d . . .
C77 C 0.9302(7) 0.3194(5) 0.3490(5) 0.031(2) Uani 1 1 d . . .
H77 H 0.9871 0.3457 0.3768 0.038 Uiso 1 1 calc R . .
C78 C 0.9627(10) 0.2919(6) 0.2886(6) 0.047(3) Uani 1 1 d . . .
H78 H 1.0414 0.3003 0.2742 0.057 Uiso 1 1 calc R . .
C79 C 0.8848(11) 0.2526(6) 0.2480(5) 0.047(3) Uani 1 1 d . . .
H79 H 0.9089 0.2343 0.2056 0.056 Uiso 1 1 calc R . .
C80 C 0.7718(11) 0.2397(6) 0.2687(5) 0.045(3) Uani 1 1 d . . .
H80 H 0.7192 0.2102 0.242 0.055 Uiso 1 1 calc R . .
C81 C 0.7346(9) 0.2689(5) 0.3276(5) 0.036(2) Uani 1 1 d . . .
H81 H 0.654 0.2618 0.3396 0.043 Uiso 1 1 calc R . .
C82 C 0.7235(9) 0.5456(5) 0.6147(4) 0.031(2) Uani 1 1 d . . .
C83 C 0.6199(12) 0.5742(5) 0.6376(5) 0.048(3) Uani 1 1 d . . .
H83 H 0.5454 0.5505 0.6333 0.058 Uiso 1 1 calc R . .
C85 C 0.6251(15) 0.6371(6) 0.6665(6) 0.073(4) Uani 1 1 d . . .
H85 H 0.5548 0.6559 0.684 0.088 Uiso 1 1 calc R . .
C86 C 0.7319(19) 0.6733(7) 0.6703(6) 0.091(6) Uani 1 1 d . . .
H86 H 0.7346 0.7174 0.6887 0.11 Uiso 1 1 calc R . .
C87 C 0.8377(16) 0.6436(7) 0.6462(7) 0.073(5) Uani 1 1 d . . .
H87 H 0.9117 0.6678 0.6487 0.088 Uiso 1 1 calc R . .
C88 C 0.8329(12) 0.5822(6) 0.6204(6) 0.048(3) Uani 1 1 d . . .
H88 H 0.9043 0.5624 0.6053 0.057 Uiso 1 1 calc R . .
C89 C 0.5900(7) 0.4250(5) 0.6047(4) 0.0220(17) Uani 1 1 d . . .
C90 C 0.4837(7) 0.4252(5) 0.5608(4) 0.0272(18) Uani 1 1 d . . .
H90 H 0.4841 0.444 0.5152 0.033 Uiso 1 1 calc R . .
C91 C 0.3770(7) 0.3987(6) 0.5820(5) 0.041(2) Uani 1 1 d . . .
H91 H 0.3043 0.3993 0.552 0.049 Uiso 1 1 calc R . .
C92 C 0.3801(8) 0.3711(6) 0.6486(5) 0.038(2) Uani 1 1 d . . .
H92 H 0.3074 0.3536 0.6644 0.046 Uiso 1 1 calc R . .
C93 C 0.4841(8) 0.3682(5) 0.6925(4) 0.0296(19) Uani 1 1 d . . .
H93 H 0.4834 0.3481 0.7374 0.036 Uiso 1 1 calc R . .
C94 C 0.5919(8) 0.3952(5) 0.6705(4) 0.0281(19) Uani 1 1 d . . .
H94 H 0.6649 0.3932 0.7001 0.034 Uiso 1 1 calc R . .
C100 C 0.8009(12) 0.1073(7) 0.7286(9) 0.091(5) Uani 1 1 d . . .
H10G H 0.754 0.092 0.7674 0.109 Uiso 1 1 calc R . .
H10H H 0.811 0.069 0.6968 0.109 Uiso 1 1 calc R . .
Cl1 Cl 0.7205(3) 0.1745(2) 0.68086(16) 0.0610(8) Uani 1 1 d . . .
Cl2 Cl 0.9391(4) 0.1355(3) 0.7611(2) 0.123(2) Uani 1 1 d . . .
C110 C 0.2988(15) 0.3846(9) -0.0288(8) 0.092(5) Uani 1 1 d . . .
H11G H 0.3153 0.4327 -0.0209 0.11 Uiso 1 1 calc R . .
H11H H 0.2258 0.3732 -0.0046 0.11 Uiso 1 1 calc R . .
Cl11 Cl 0.2665(6) 0.3720(3) -0.1170(3) 0.140(2) Uani 1 1 d . . .
Cl12 Cl 0.4168(3) 0.3406(2) 0.0087(2) 0.0923(12) Uani 1 1 d . . .
C120 C 0.6795(9) 0.8565(5) -0.2207(5) 0.042(2) Uani 1 1 d . . .
H12G H 0.7236 0.8731 -0.2602 0.05 Uiso 1 1 calc R . .
H12H H 0.6638 0.8949 -0.1901 0.05 Uiso 1 1 calc R . .
Cl21 Cl 0.7674(2) 0.79694(16) -0.17306(13) 0.0460(6) Uani 1 1 d . . .
Cl22 Cl 0.5388(2) 0.81961(17) -0.25367(15) 0.0559(7) Uani 1 1 d . . .
C130 C 0.2176(14) 0.5764(10) 0.5477(8) 0.091(5) Uani 1 1 d . . .
H13G H 0.2083 0.5325 0.5242 0.109 Uiso 1 1 calc R . .
H13H H 0.2936 0.597 0.5341 0.109 Uiso 1 1 calc R . .
Cl31 Cl 0.2265(7) 0.5657(4) 0.6342(2) 0.167(3) Uani 1 1 d . . .
Cl32 Cl 0.0945(4) 0.6278(3) 0.5196(4) 0.184(4) Uani 1 1 d . . .
B1 B 0.3246(12) 0.5294(9) 0.0983(7) 0.056(4) Uani 1 1 d . . .
F1 F 0.3936(7) 0.5306(4) 0.0402(4) 0.081(3) Uani 1 1 d . . .
F2 F 0.3901(10) 0.4941(6) 0.1463(5) 0.141(5) Uani 1 1 d . . .
F3 F 0.3059(7) 0.5934(5) 0.1191(4) 0.086(2) Uani 1 1 d . . .
F4 F 0.2188(7) 0.4959(8) 0.0739(4) 0.146(6) Uani 1 1 d . . .
B10 B 0.1901(10) 0.4438(9) 0.3973(8) 0.063(5) Uani 1 1 d . . .
F11 F 0.2418(12) 0.3855(8) 0.3792(6) 0.171(7) Uani 1 1 d . . .
F13 F 0.2718(9) 0.4908(7) 0.4131(4) 0.138(5) Uani 1 1 d . . .
F12 F 0.1239(8) 0.4634(6) 0.3378(4) 0.093(3) Uani 1 1 d . . .
F14 F 0.1208(7) 0.4331(4) 0.4511(4) 0.070(2) Uani 1 1 d . . .
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
Rh C11 2.244(9) . ?
Rh C7 2.249(11) . ?
Rh C14 2.254(8) . ?
Rh C10 2.256(8) . ?
Rh P6 2.288(2) . ?
Rh P1 2.309(2) . ?
P1 O2 1.610(6) . ?
P1 C27 1.810(8) . ?
P1 C20 1.837(9) . ?
O2 C3 1.420(9) . ?
C3 C4 1.515(10) . ?
C3 C15 1.551(9) . ?
C3 H3 1 . ?
C4 O5 1.437(8) . ?
C4 C17 1.546(9) . ?
C4 H4 1 . ?
O5 P6 1.620(6) . ?
P6 C33 1.798(8) . ?
P6 C39 1.819(10) . ?
C7 C11 1.396(13) . ?
C7 C8 1.518(13) . ?
C7 H7 1 . ?
C8 C9A 1.38(3) . ?
C8 C9B 1.485(17) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C8 H8C 0.97 . ?
C8 H8D 0.97 . ?
C9A C10 1.50(3) . ?
C9A H8D 1.5089 . ?
C9A H9C 0.99 . ?
C9A H9D 0.99 . ?
C9B C10 1.524(17) . ?
C9B H9E 0.99 . ?
C9B H9F 0.99 . ?
C10 C14 1.388(14) . ?
C10 H10A 1 . ?
C10 H10B 0.98 . ?
C11 C12 1.507(13) . ?
C11 H11 1 . ?
C12 C13A 1.32(2) . ?
C12 C13B 1.484(16) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C12 H12C 0.97 . ?
C12 H12D 0.97 . ?
C13A C14 1.61(2) . ?
C13A H12C 1.5112 . ?
C13A H13A 0.99 . ?
C13A H13B 0.99 . ?
C13B C14 1.490(16) . ?
C13B H13C 0.99 . ?
C13B H13D 0.99 . ?
C14 H14A 1 . ?
C14 H14B 0.98 . ?
C15 O16 1.445(9) . ?
C15 C18 1.489(11) . ?
C15 H15 1 . ?
O16 C17 1.455(9) . ?
C17 C19 1.491(11) . ?
C17 H17 1 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C25 1.371(14) . ?
C20 C21 1.396(12) . ?
C21 C22 1.413(13) . ?
C21 H21 0.95 . ?
C22 C23 1.370(18) . ?
C22 H22 0.95 . ?
C23 C24 1.388(17) . ?
C23 H23 0.95 . ?
C24 C25 1.434(13) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C27 C32 1.356(12) . ?
C27 C28 1.432(13) . ?
C28 C29 1.394(13) . ?
C28 H28 0.95 . ?
C29 C30 1.343(16) . ?
C29 H29 0.95 . ?
C30 C31 1.431(15) . ?
C30 H30 0.95 . ?
C31 C32 1.410(12) . ?
C31 H31 0.95 . ?
C32 H32 0.95 . ?
C33 C34 1.389(11) . ?
C33 C38 1.390(11) . ?
C34 C35 1.399(11) . ?
C34 H34 0.95 . ?
C35 C36 1.402(12) . ?
C35 H35 0.95 . ?
C36 C37 1.380(12) . ?
C36 H36 0.95 . ?
C37 C38 1.390(11) . ?
C37 H37 0.95 . ?
C38 H38 0.95 . ?
C39 C40 1.396(13) . ?
C39 C44 1.398(15) . ?
C40 C41 1.429(15) . ?
C40 H40 0.95 . ?
C41 C42 1.382(18) . ?
C41 H41 0.95 . ?
C42 C43 1.317(18) . ?
C42 H42 0.95 . ?
C43 C44 1.409(16) . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
Rh50 C57 2.234(9) . ?
Rh50 C61 2.246(8) . ?
Rh50 C60 2.258(8) . ?
Rh50 C64 2.285(10) . ?
Rh50 P51 2.292(2) . ?
Rh50 P56 2.311(2) . ?
P51 O52 1.621(6) . ?
P51 C76 1.803(9) . ?
P51 C70 1.829(9) . ?
O52 C53 1.437(9) . ?
C53 C54 1.503(9) . ?
C53 C65 1.529(8) . ?
C53 H53 1 . ?
C54 O55 1.452(10) . ?
C54 C67 1.521(10) . ?
C54 H54 1 . ?
O55 P56 1.619(6) . ?
P56 C82 1.812(10) . ?
P56 C89 1.817(8) . ?
C57 C64 1.342(13) . ?
C57 C58 1.518(12) . ?
C57 H57 1 . ?
C58 C59B 1.48(2) . ?
C58 C59A 1.530(18) . ?
C58 H58A 0.99 . ?
C58 H58B 0.99 . ?
C58 H58C 0.97 . ?
C58 H58D 0.97 . ?
C59A C60 1.515(19) . ?
C59A H59A 0.99 . ?
C59A H59B 0.99 . ?
C59B C60 1.65(2) . ?
C59B H59C 0.99 . ?
C59B H59D 0.99 . ?
C60 C61 1.359(15) . ?
C60 H60A 1 . ?
C60 H60B 1 . ?
C61 C62B 1.50(2) . ?
C61 C62A 1.59(2) . ?
C61 H61A 1 . ?
C61 H61B 0.98 . ?
C62A C63 1.435(19) . ?
C62A H62A 0.99 . ?
C62A H62B 0.99 . ?
C62A H63D 1.54 . ?
C62B C63 1.48(2) . ?
C62B H62C 0.99 . ?
C62B H62D 0.99 . ?
C63 C64 1.498(12) . ?
C63 H63A 0.99 . ?
C63 H63B 0.99 . ?
C63 H63C 0.97 . ?
C63 H63D 0.97 . ?
C64 H64 1 . ?
C65 O66 1.439(9) . ?
C65 C68 1.492(12) . ?
C65 H65 1 . ?
O66 C67 1.441(11) . ?
C67 C69 1.445(15) . ?
C67 H67 1 . ?
C68 H68A 0.98 . ?
C68 H68B 0.98 . ?
C68 H68C 0.98 . ?
C69 H69A 0.98 . ?
C69 H69B 0.98 . ?
C69 H69C 0.98 . ?
C70 C71 1.342(13) . ?
C70 C75 1.406(11) . ?
C71 C72 1.395(13) . ?
C71 H71 0.95 . ?
C72 C73 1.393(14) . ?
C72 H72 0.95 . ?
C73 C74 1.326(15) . ?
C73 H73 0.95 . ?
C74 C75 1.382(12) . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 C77 1.411(11) . ?
C76 C81 1.416(13) . ?
C77 C78 1.357(14) . ?
C77 H77 0.95 . ?
C78 C79 1.363(17) . ?
C78 H78 0.95 . ?
C79 C80 1.368(15) . ?
C79 H79 0.95 . ?
C80 C81 1.364(13) . ?
C80 H80 0.95 . ?
C81 H81 0.95 . ?
C82 C83 1.386(14) . ?
C82 C88 1.413(15) . ?
C83 C85 1.374(15) . ?
C83 H83 0.95 . ?
C85 C86 1.38(2) . ?
C85 H85 0.95 . ?
C86 C87 1.42(2) . ?
C86 H86 0.95 . ?
C87 C88 1.325(18) . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.390(11) . ?
C89 C94 1.392(11) . ?
C90 C91 1.387(11) . ?
C90 H90 0.95 . ?
C91 C92 1.387(13) . ?
C91 H91 0.95 . ?
C92 C93 1.371(12) . ?
C92 H92 0.95 . ?
C93 C94 1.406(11) . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C100 Cl2 1.701(14) . ?
C100 Cl1 1.818(16) . ?
C100 H10G 0.99 . ?
C100 H10H 0.99 . ?
C110 Cl12 1.686(15) . ?
C110 Cl11 1.715(15) . ?
C110 H11G 0.99 . ?
C110 H11H 0.99 . ?
C120 Cl21 1.748(10) . ?
C120 Cl22 1.792(10) . ?
C120 H12G 0.99 . ?
C120 H12H 0.99 . ?
C130 Cl31 1.665(14) . ?
C130 Cl32 1.757(15) . ?
C130 H13G 0.99 . ?
C130 H13H 0.99 . ?
B1 F2 1.328(16) . ?
B1 F3 1.362(19) . ?
B1 F4 1.397(15) . ?
B1 F1 1.399(15) . ?
B10 F13 1.323(17) . ?
B10 F14 1.350(14) . ?
B10 F11 1.36(2) . ?
B10 F12 1.362(15) . ?
