#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/10/4021026.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_4021026
loop_
_publ_author_name
'Christopher J. Cobley'
'Kelli Gardner'
'Jerzy Klosin'
'Céline Praquin'
'Catherine Hill'
'Gregory T. Whiteker'
'Antonio Zanotti-Gerosa'
'Jeffrey L. Petersen'
'Khalil A. Abboud'
_publ_section_title
;
 Synthesis and Application of a New Bisphosphite Ligand
 Collection for Asymmetric Hydroformylation of Allyl Cyanide
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4031
_journal_page_last               4040
_journal_paper_doi               10.1021/jo040128p
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C65 H79 O8 P2 Rh, 1/4(C7 H8), C2 H3 N'
_chemical_formula_sum            'C68.75 H84 N O8 P2 Rh'
_chemical_formula_weight         1217.22
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   18.2670(13)
_cell_length_b                   22.2381(16)
_cell_length_c                   65.457(5)
_cell_measurement_temperature    173(2)
_cell_volume                     26590(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.216
_cod_duplicate_entry             4021024
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_database_code               4021026
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -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
Rh1 Rh 0.66741(3) 0.78027(3) 0.084247(9) 0.03345(17) Uani 1 1 d . . .
P2 P 0.62835(11) 0.69492(8) 0.07358(3) 0.0318(5) Uani 1 1 d . . .
P1 P 0.63134(10) 0.83367(8) 0.05880(3) 0.0305(5) Uani 1 1 d . . .
O1 O 0.5796(2) 0.81109(18) 0.04060(6) 0.0280(12) Uani 1 1 d . . .
O2 O 0.5850(2) 0.89048(18) 0.06686(7) 0.0322(13) Uani 1 1 d . . .
O3 O 0.6939(2) 0.8646(2) 0.04434(7) 0.0319(13) Uani 1 1 d . . .
O4 O 0.5789(3) 0.68512(18) 0.05352(6) 0.0359(13) Uani 1 1 d . . .
O5 O 0.5809(2) 0.65346(19) 0.08930(6) 0.0310(12) Uani 1 1 d . . .
O6 O 0.6972(2) 0.6522(2) 0.06797(6) 0.0280(12) Uani 1 1 d . . .
O7 O 0.7176(3) 0.7308(2) 0.10722(8) 0.0513(16) Uani 1 1 d . . .
O8 O 0.7070(3) 0.8586(2) 0.09781(8) 0.0397(14) Uani 1 1 d . . .
C1 C 0.7372(4) 0.9116(3) 0.05240(10) 0.0299(19) Uani 1 1 d . . .
C2 C 0.8126(4) 0.9034(3) 0.05568(10) 0.0319(19) Uani 1 1 d . . .
C3 C 0.8461(4) 0.9491(3) 0.06593(12) 0.043(2) Uani 1 1 d . . .
H3A H 0.8964 0.9443 0.0692 0.052 Uiso 1 1 calc R . .
C4 C 0.8123(4) 1.0018(3) 0.07192(11) 0.039(2) Uani 1 1 d . . .
C5 C 0.7393(4) 1.0124(3) 0.06599(11) 0.037(2) Uani 1 1 d . . .
C6 C 0.7030(4) 0.9661(3) 0.05583(11) 0.034(2) Uani 1 1 d . . .
C7 C 0.6270(4) 0.9756(3) 0.04769(11) 0.030(2) Uani 1 1 d . . .
C8 C 0.6122(4) 1.0219(3) 0.03292(12) 0.035(2) Uani 1 1 d . . .
C9 C 0.5392(5) 1.0320(3) 0.02720(11) 0.039(2) Uani 1 1 d . . .
C10 C 0.4839(4) 0.9999(3) 0.03619(11) 0.0289(19) Uani 1 1 d . . .
H10A H 0.4351 1.0116 0.0331 0.035 Uiso 1 1 calc R . .
C11 C 0.4933(4) 0.9517(3) 0.04942(10) 0.030(2) Uani 1 1 d . A .
C12 C 0.5683(5) 0.9394(3) 0.05390(10) 0.035(2) Uani 1 1 d . . .
C13 C 0.8530(4) 0.8470(4) 0.04759(12) 0.044(2) Uani 1 1 d . . .
C14 C 0.9376(4) 0.8583(3) 0.04950(11) 0.050(2) Uani 1 1 d . . .
H14A H 0.9508 0.8626 0.0639 0.074 Uiso 1 1 calc R . .
H14B H 0.9507 0.8951 0.0421 0.074 Uiso 1 1 calc R . .
H14C H 0.9642 0.8241 0.0436 0.074 Uiso 1 1 calc R . .
C15 C 0.8348(4) 0.7913(3) 0.06013(12) 0.061(2) Uani 1 1 d . . .
H15A H 0.7825 0.7823 0.0589 0.092 Uiso 1 1 calc R . .
H15B H 0.8469 0.7986 0.0745 0.092 Uiso 1 1 calc R . .
H15C H 0.8634 0.7571 0.0551 0.092 Uiso 1 1 calc R . .
C16 C 0.8378(4) 0.8373(5) 0.02461(12) 0.089(4) Uani 1 1 d . . .
H16A H 0.8695 0.8051 0.0194 0.134 Uiso 1 1 calc R . .
H16B H 0.8480 0.8746 0.0171 0.134 Uiso 1 1 calc R . .
H16C H 0.7864 0.8260 0.0227 0.134 Uiso 1 1 calc R . .
C17 C 0.8546(4) 1.0471(3) 0.08500(13) 0.061(2) Uani 1 1 d . . .
H17A H 0.9022 1.0300 0.0888 0.092 Uiso 1 1 calc R . .
H17B H 0.8266 1.0562 0.0974 0.092 Uiso 1 1 calc R . .
H17C H 0.8623 1.0842 0.0772 0.092 Uiso 1 1 calc R . .
C18 C 0.7044(4) 1.0725(3) 0.07076(12) 0.048(2) Uani 1 1 d . . .
H18A H 0.7258 1.1036 0.0620 0.072 Uiso 1 1 calc R . .
H18B H 0.7133 1.0828 0.0851 0.072 Uiso 1 1 calc R . .
H18C H 0.6516 1.0702 0.0683 0.072 Uiso 1 1 calc R . .
C19 C 0.6727(4) 1.0565(3) 0.02279(11) 0.052(2) Uani 1 1 d . . .
H19A H 0.6731 1.0475 0.0081 0.078 Uiso 1 1 calc R . .
H19B H 0.7197 1.0449 0.0288 0.078 Uiso 1 1 calc R . .
H19C H 0.6647 1.0997 0.0248 0.078 Uiso 1 1 calc R . .
C20 C 0.5211(4) 1.0811(3) 0.01170(10) 0.041(2) Uani 1 1 d . . .
H20A H 0.4679 1.0841 0.0101 0.061 Uiso 1 1 calc R . .
H20B H 0.5432 1.0709 -0.0015 0.061 Uiso 1 1 calc R . .
H20C H 0.5406 1.1196 0.0165 0.061 Uiso 1 1 calc R . .
C21 C 0.4285(4) 0.9174(3) 0.05829(11) 0.0325(19) Uani 1 1 d . . .
C22 C 0.4331(6) 0.9120(6) 0.08211(19) 0.063(5) Uani 0.682(15) 1 d P A 1
H22A H 0.4442 0.9515 0.0880 0.094 Uiso 0.682(15) 1 calc PR A 1
H22B H 0.4718 0.8836 0.0858 0.094 Uiso 0.682(15) 1 calc PR A 1
H22C H 0.3861 0.8977 0.0875 0.094 Uiso 0.682(15) 1 calc PR A 1
C23 C 0.4175(6) 0.8561(6) 0.0487(2) 0.054(5) Uani 0.682(15) 1 d P A 1
H23A H 0.3718 0.8385 0.0538 0.081 Uiso 0.682(15) 1 calc PR A 1
H23B H 0.4587 0.8300 0.0523 0.081 Uiso 0.682(15) 1 calc PR A 1
H23C H 0.4150 0.8603 0.0338 0.081 Uiso 0.682(15) 1 calc PR A 1
C24 C 0.3539(7) 0.9524(6) 0.0555(3) 0.053(5) Uani 0.682(15) 1 d P A 1
H24A H 0.3137 0.9284 0.0612 0.080 Uiso 0.682(15) 1 calc PR A 1
H24B H 0.3449 0.9595 0.0410 0.080 Uiso 0.682(15) 1 calc PR A 1
H24C H 0.3566 0.9910 0.0627 0.080 Uiso 0.682(15) 1 calc PR A 1
C22A C 0.4430(15) 0.8605(13) 0.0724(4) 0.058(10) Uiso 0.318(15) 1 d P A 2
H22D H 0.4563 0.8739 0.0862 0.087 Uiso 0.318(15) 1 calc PR A 2
H22E H 0.4831 0.8365 0.0667 0.087 Uiso 0.318(15) 1 calc PR A 2
H22F H 0.3986 0.8359 0.0731 0.087 Uiso 0.318(15) 1 calc PR A 2
C23A C 0.3973(15) 0.8838(12) 0.0357(4) 0.042(9) Uiso 0.318(15) 1 d P A 2
H23D H 0.3469 0.8698 0.0377 0.063 Uiso 0.318(15) 1 calc PR A 2
H23E H 0.4288 0.8495 0.0323 0.063 Uiso 0.318(15) 1 calc PR A 2
H23F H 0.3988 0.9132 0.0246 0.063 Uiso 0.318(15) 1 calc PR A 2
C24A C 0.3774(19) 0.9517(15) 0.0657(5) 0.048(11) Uiso 0.318(15) 1 d P A 2
H24D H 0.3633 0.9817 0.0555 0.072 Uiso 0.318(15) 1 calc PR A 2
H24E H 0.3957 0.9722 0.0780 0.072 Uiso 0.318(15) 1 calc PR A 2
H24F H 0.3348 0.9272 0.0693 0.072 Uiso 0.318(15) 1 calc PR A 2
C25 C 0.5912(4) 0.7843(3) 0.02145(10) 0.0310(18) Uani 1 1 d . . .
C26 C 0.6436(4) 0.8059(3) 0.00770(11) 0.0284(19) Uani 1 1 d . . .
H26A H 0.6758 0.8377 0.0114 0.034 Uiso 1 1 calc R . .
C27 C 0.6470(4) 0.7793(3) -0.01162(11) 0.040(2) Uani 1 1 d . . .
H27A H 0.6822 0.7930 -0.0213 0.047 Uiso 1 1 calc R . .
C28 C 0.6003(5) 0.7336(3) -0.01681(11) 0.043(2) Uani 1 1 d . . .
H28A H 0.6034 0.7158 -0.0300 0.052 Uiso 1 1 calc R . .
C29 C 0.5489(4) 0.7133(3) -0.00309(11) 0.036(2) Uani 1 1 d . . .
H29A H 0.5162 0.6821 -0.0070 0.043 Uiso 1 1 calc R . .
C30 C 0.5442(4) 0.7377(3) 0.01642(11) 0.035(2) Uani 1 1 d . . .
C31 C 0.4853(4) 0.7188(3) 0.03110(10) 0.0266(18) Uani 1 1 d . . .
C32 C 0.4106(4) 0.7246(3) 0.02634(11) 0.047(2) Uani 1 1 d . . .
H32A H 0.3968 0.7373 0.0130 0.056 Uiso 1 1 calc R . .
C33 C 0.3577(4) 0.7126(4) 0.04037(13) 0.048(2) Uani 1 1 d . . .
H33A H 0.3075 0.7179 0.0371 0.057 Uiso 1 1 calc R . .
C34 C 0.3779(4) 0.6926(3) 0.05922(14) 0.052(2) Uani 1 1 d . . .
H34A H 0.3411 0.6837 0.0690 0.063 Uiso 1 1 calc R . .
C35 C 0.4518(4) 0.6850(3) 0.06452(13) 0.051(2) Uani 1 1 d . . .
H35A H 0.4652 0.6720 0.0778 0.061 Uiso 1 1 calc R . .
C36 C 0.5043(4) 0.6967(3) 0.05010(12) 0.034(2) Uani 1 1 d . . .
C37 C 0.6146(4) 0.6177(3) 0.10510(13) 0.037(2) Uani 1 1 d . . .
C38 C 0.5981(4) 0.6293(3) 0.12563(13) 0.047(2) Uani 1 1 d . . .
C39 C 0.6370(4) 0.5949(3) 0.13947(12) 0.045(2) Uani 1 1 d . . .
H39A H 0.6291 0.6017 0.1536 0.054 Uiso 1 1 calc R . .
C40 C 0.6865(5) 0.5511(3) 0.13393(12) 0.044(2) Uani 1 1 d . . .
C41 C 0.6959(4) 0.5387(3) 0.11303(13) 0.042(2) Uani 1 1 d . . .
C42 C 0.6565(4) 0.5705(3) 0.09846(11) 0.032(2) Uani 1 1 d . . .
C43 C 0.6597(4) 0.5528(3) 0.07631(11) 0.0305(19) Uani 1 1 d . . .
C44 C 0.6400(4) 0.4948(3) 0.06965(13) 0.042(2) Uani 1 1 d . . .
C45 C 0.6575(4) 0.4769(3) 0.04986(12) 0.033(2) Uani 1 1 d . . .
C46 C 0.6938(4) 0.5159(3) 0.03727(11) 0.035(2) Uani 1 1 d . . .
H46A H 0.7077 0.5020 0.0241 0.042 Uiso 1 1 calc R . .
C47 C 0.7117(4) 0.5742(3) 0.04251(11) 0.029(2) Uani 1 1 d . . .
C48 C 0.6880(4) 0.5920(3) 0.06199(11) 0.0256(19) Uani 1 1 d . . .
C49 C 0.5382(5) 0.6722(4) 0.13297(13) 0.055(3) Uani 1 1 d . . .
C50 C 0.5489(6) 0.7364(4) 0.12680(15) 0.112(5) Uani 1 1 d . . .
H50A H 0.5061 0.7600 0.1309 0.168 Uiso 1 1 calc R . .
H50B H 0.5549 0.7387 0.1119 0.168 Uiso 1 1 calc R . .
H50C H 0.5927 0.7524 0.1335 0.168 Uiso 1 1 calc R . .
C51 C 0.4646(5) 0.6499(5) 0.12427(14) 0.100(4) Uani 1 1 d . . .
H51A H 0.4245 0.6733 0.1303 0.150 Uiso 1 1 calc R . .
H51B H 0.4581 0.6073 0.1276 0.150 Uiso 1 1 calc R . .
H51C H 0.4643 0.6551 0.1094 0.150 Uiso 1 1 calc R . .
C52 C 0.5262(5) 0.6686(4) 0.15604(13) 0.092(4) Uani 1 1 d . . .
H52A H 0.5709 0.6814 0.1631 0.139 Uiso 1 1 calc R . .
H52B H 0.5145 0.6271 0.1599 0.139 Uiso 1 1 calc R . .
H52C H 0.4856 0.6951 0.1599 0.139 Uiso 1 1 calc R . .
C53 C 0.7269(6) 0.5158(4) 0.15043(12) 0.085(3) Uani 1 1 d . . .
H53A H 0.7117 0.5302 0.1639 0.128 Uiso 1 1 calc R . .
H53B H 0.7798 0.5216 0.1488 0.128 Uiso 1 1 calc R . .
H53C H 0.7152 0.4730 0.1491 0.128 Uiso 1 1 calc R . .
C54 C 0.7507(4) 0.4899(3) 0.10722(13) 0.059(3) Uani 1 1 d . . .
H54A H 0.7541 0.4872 0.0923 0.088 Uiso 1 1 calc R . .
H54B H 0.7343 0.4512 0.1128 0.088 Uiso 1 1 calc R . .
H54C H 0.7988 0.4998 0.1129 0.088 Uiso 1 1 calc R . .
C55 C 0.5979(4) 0.4530(3) 0.08427(12) 0.052(2) Uani 1 1 d . . .
H55A H 0.5554 0.4361 0.0772 0.077 Uiso 1 1 calc R . .
H55B H 0.5814 0.4760 0.0962 0.077 Uiso 1 1 calc R . .
H55C H 0.6302 0.4204 0.0888 0.077 Uiso 1 1 calc R . .
C56 C 0.6348(4) 0.4143(3) 0.04232(11) 0.054(2) Uani 1 1 d . . .
H56A H 0.5816 0.4098 0.0435 0.081 Uiso 1 1 calc R . .
H56B H 0.6591 0.3835 0.0506 0.081 Uiso 1 1 calc R . .
H56C H 0.6492 0.4095 0.0280 0.081 Uiso 1 1 calc R . .
C57 C 0.7594(4) 0.6159(4) 0.02886(10) 0.038(2) Uani 1 1 d . . .
C58 C 0.7214(4) 0.6744(3) 0.02209(11) 0.047(2) Uani 1 1 d . . .
H58A H 0.7080 0.6980 0.0342 0.070 Uiso 1 1 calc R . .
H58B H 0.6773 0.6645 0.0143 0.070 Uiso 1 1 calc R . .
H58C H 0.7549 0.6978 0.0135 0.070 Uiso 1 1 calc R . .
C59 C 0.8292(4) 0.6310(3) 0.04051(11) 0.038(2) Uani 1 1 d . . .
H59A H 0.8616 0.6549 0.0318 0.057 Uiso 1 1 calc R . .
H59B H 0.8541 0.5937 0.0444 0.057 Uiso 1 1 calc R . .
H59C H 0.8169 0.6540 0.0528 0.057 Uiso 1 1 calc R . .
C60 C 0.7838(4) 0.5814(3) 0.00907(11) 0.047(2) Uani 1 1 d . . .
H60A H 0.8134 0.6080 0.0005 0.071 Uiso 1 1 calc R . .
H60B H 0.7404 0.5684 0.0015 0.071 Uiso 1 1 calc R . .
H60C H 0.8128 0.5461 0.0129 0.071 Uiso 1 1 calc R . .
C61 C 0.7593(5) 0.7499(4) 0.12046(14) 0.057(3) Uani 1 1 d . . .
C62 C 0.7723(5) 0.8115(4) 0.12477(12) 0.057(3) Uani 1 1 d . . .
H62A H 0.8015 0.8201 0.1364 0.068 Uiso 1 1 calc R . .
C63 C 0.7472(4) 0.8601(4) 0.11383(13) 0.046(2) Uani 1 1 d . . .
C64 C 0.7948(5) 0.7031(4) 0.13428(14) 0.100(4) Uani 1 1 d . . .
H64A H 0.7690 0.6647 0.1328 0.150 Uiso 1 1 calc R . .
H64B H 0.7919 0.7165 0.1485 0.150 Uiso 1 1 calc R . .
H64C H 0.8462 0.6979 0.1304 0.150 Uiso 1 1 calc R . .
C65 C 0.7691(4) 0.9230(3) 0.12071(12) 0.061(3) Uani 1 1 d . . .
H65A H 0.7792 0.9480 0.1087 0.091 Uiso 1 1 calc R . .
H65B H 0.8132 0.9206 0.1292 0.091 Uiso 1 1 calc R . .
H65C H 0.7292 0.9409 0.1286 0.091 Uiso 1 1 calc R . .
Rh1' Rh 0.57122(3) 0.29162(3) 0.162665(9) 0.03433(17) Uani 1 1 d . . .
P2' P 0.63773(11) 0.30456(9) 0.18935(3) 0.0339(5) Uani 1 1 d . . .
P1' P 0.59264(10) 0.19792(8) 0.15820(3) 0.0326(5) Uani 1 1 d . . .
O1' O 0.6333(3) 0.1542(2) 0.17429(6) 0.0353(13) Uani 1 1 d . . .
O2' O 0.5161(2) 0.1618(2) 0.15511(7) 0.0317(13) Uani 1 1 d . . .
O3' O 0.6393(2) 0.17986(18) 0.13803(7) 0.0307(13) Uani 1 1 d . . .
O4' O 0.6830(3) 0.2521(2) 0.20064(7) 0.0360(13) Uani 1 1 d . . .
O5' O 0.6049(2) 0.3357(2) 0.20967(7) 0.0350(13) Uani 1 1 d . . .
O6' O 0.7028(3) 0.3504(2) 0.18310(7) 0.0385(14) Uani 1 1 d . . .
O7' O 0.5504(3) 0.3837(2) 0.16324(8) 0.0461(14) Uani 1 1 d . . .
O8' O 0.5109(2) 0.2857(2) 0.13627(7) 0.0382(12) Uani 1 1 d . . .
C1' C 0.6097(4) 0.1760(3) 0.11839(11) 0.031(2) Uani 1 1 d . . .
C2' C 0.6369(4) 0.2149(3) 0.10306(10) 0.0287(18) Uani 1 1 d . . .
C3' C 0.5987(4) 0.2083(3) 0.08418(11) 0.0358(18) Uani 1 1 d . . .
H3'A H 0.6151 0.2315 0.0729 0.043 Uiso 1 1 calc R . .
C4' C 0.5405(4) 0.1711(3) 0.08120(11) 0.0320(19) Uani 1 1 d . . .
C5' C 0.5167(4) 0.1324(3) 0.09676(10) 0.0272(18) Uani 1 1 d . . .
C6' C 0.5560(4) 0.1330(3) 0.11542(11) 0.0291(19) Uani 1 1 d . . .
C7' C 0.5416(4) 0.0850(3) 0.13108(11) 0.031(2) Uani 1 1 d . . .
C8' C 0.5512(4) 0.0243(3) 0.12660(10) 0.032(2) Uani 1 1 d . . .
C9' C 0.5286(4) -0.0181(3) 0.14138(13) 0.044(2) Uani 1 1 d . . .
C10' C 0.4968(4) -0.0004(4) 0.15942(11) 0.041(2) Uani 1 1 d . . .
H10B H 0.4796 -0.0304 0.1686 0.049 Uiso 1 1 calc R . .
C11' C 0.4888(4) 0.0600(3) 0.16487(11) 0.0318(19) Uani 1 1 d . . .
C12' C 0.5159(4) 0.1002(3) 0.15032(12) 0.031(2) Uani 1 1 d . . .
C13' C 0.7044(4) 0.2563(3) 0.10537(11) 0.033(2) Uani 1 1 d . . .
C14' C 0.6877(4) 0.3091(3) 0.12013(11) 0.044(2) Uani 1 1 d . . .
H14D H 0.6754 0.2931 0.1337 0.066 Uiso 1 1 calc R . .
H14E H 0.6462 0.3324 0.1149 0.066 Uiso 1 1 calc R . .
H14F H 0.7308 0.3351 0.1212 0.066 Uiso 1 1 calc R . .
C15' C 0.7262(4) 0.2839(4) 0.08496(11) 0.054(2) Uani 1 1 d . . .
H15D H 0.7702 0.3085 0.0868 0.082 Uiso 1 1 calc R . .
H15E H 0.6862 0.3091 0.0799 0.082 Uiso 1 1 calc R . .
H15F H 0.7362 0.2518 0.0751 0.082 Uiso 1 1 calc R . .
C16' C 0.7682(4) 0.2204(3) 0.11331(11) 0.050(2) Uani 1 1 d . . .
H16D H 0.7772 0.1861 0.1042 0.074 Uiso 1 1 calc R . .
H16E H 0.7572 0.2058 0.1271 0.074 Uiso 1 1 calc R . .
H16F H 0.8119 0.2459 0.1137 0.074 Uiso 1 1 calc R . .
C17' C 0.5014(4) 0.1711(3) 0.06070(11) 0.046(2) Uani 1 1 d . . .
H17D H 0.5256 0.1995 0.0515 0.069 Uiso 1 1 calc R . .
H17E H 0.4503 0.1831 0.0626 0.069 Uiso 1 1 calc R . .
H17F H 0.5032 0.1306 0.0548 0.069 Uiso 1 1 calc R . .
C18' C 0.4510(4) 0.0950(3) 0.09324(10) 0.046(2) Uani 1 1 d . . .
H18D H 0.4117 0.1200 0.0876 0.069 Uiso 1 1 calc R . .
H18E H 0.4349 0.0774 0.1062 0.069 Uiso 1 1 calc R . .
H18F H 0.4628 0.0628 0.0836 0.069 Uiso 1 1 calc R . .
C19' C 0.5853(4) 0.0041(3) 0.10666(11) 0.047(2) Uani 1 1 d . . .
H19D H 0.5522 0.0136 0.0953 0.070 Uiso 1 1 calc R . .
H19E H 0.5938 -0.0394 0.1071 0.070 Uiso 1 1 calc R . .
H19F H 0.6320 0.0250 0.1047 0.070 Uiso 1 1 calc R . .
C20' C 0.5382(5) -0.0849(3) 0.13671(12) 0.062(3) Uani 1 1 d . . .
H20D H 0.5882 -0.0973 0.1402 0.094 Uiso 1 1 calc R . .
H20E H 0.5292 -0.0921 0.1221 0.094 Uiso 1 1 calc R . .
H20F H 0.5032 -0.1083 0.1448 0.094 Uiso 1 1 calc R . .
C21' C 0.4478(5) 0.0784(4) 0.18436(12) 0.048(2) Uani 1 1 d . . .
C22' C 0.4962(4) 0.1084(4) 0.19944(12) 0.068(3) Uani 1 1 d . . .
H22G H 0.4693 0.1149 0.2122 0.101 Uiso 1 1 calc R . .
H22H H 0.5124 0.1473 0.1940 0.101 Uiso 1 1 calc R . .
H22I H 0.5390 0.0830 0.2021 0.101 Uiso 1 1 calc R . .
C23' C 0.4132(5) 0.0244(3) 0.19427(12) 0.068(3) Uani 1 1 d . . .
H23G H 0.4515 -0.0019 0.1998 0.102 Uiso 1 1 calc R . .
H23H H 0.3845 0.0022 0.1841 0.102 Uiso 1 1 calc R . .
H23I H 0.3810 0.0375 0.2054 0.102 Uiso 1 1 calc R . .
C24' C 0.3838(5) 0.1217(4) 0.17836(13) 0.075(3) Uani 1 1 d . . .
H24G H 0.3532 0.1294 0.1904 0.113 Uiso 1 1 calc R . .
H24H H 0.3541 0.1030 0.1676 0.113 Uiso 1 1 calc R . .
H24I H 0.4041 0.1597 0.1733 0.113 Uiso 1 1 calc R . .
C25' C 0.7054(4) 0.1320(3) 0.17646(12) 0.0309(19) Uani 1 1 d . . .
C26' C 0.7410(4) 0.1066(3) 0.15971(12) 0.045(2) Uani 1 1 d . . .
H26B H 0.7195 0.1052 0.1465 0.054 Uiso 1 1 calc R . .
C27' C 0.8104(5) 0.0834(3) 0.16367(16) 0.066(3) Uani 1 1 d . . .
H27B H 0.8380 0.0675 0.1526 0.079 Uiso 1 1 calc R . .
C28' C 0.8401(5) 0.0826(4) 0.18261(14) 0.059(3) Uani 1 1 d . . .
H28B H 0.8865 0.0645 0.1848 0.071 Uiso 1 1 calc R . .
C29' C 0.8025(5) 0.1082(4) 0.19858(14) 0.058(3) Uani 1 1 d . . .
H29B H 0.8242 0.1097 0.2117 0.069 Uiso 1 1 calc R . .
C30' C 0.7343(5) 0.1314(3) 0.19572(11) 0.033(2) Uani 1 1 d . . .
C31' C 0.6898(4) 0.1518(3) 0.21321(12) 0.039(2) Uani 1 1 d . . .
C32' C 0.6768(5) 0.1098(4) 0.22845(12) 0.053(2) Uani 1 1 d . . .
H32B H 0.6953 0.0700 0.2273 0.064 Uiso 1 1 calc R . .
C33' C 0.6366(5) 0.1266(4) 0.24540(14) 0.072(3) Uani 1 1 d . . .
H33B H 0.6260 0.0977 0.2557 0.087 Uiso 1 1 calc R . .
C34' C 0.6113(5) 0.1862(4) 0.24757(13) 0.080(3) Uani 1 1 d . . .
H34B H 0.5853 0.1973 0.2596 0.095 Uiso 1 1 calc R . .
C35' C 0.6232(5) 0.2273(3) 0.23305(12) 0.058(3) Uani 1 1 d . . .
H35B H 0.6050 0.2671 0.2345 0.070 Uiso 1 1 calc R . .
C36' C 0.6632(4) 0.2105(4) 0.21552(10) 0.0382(19) Uani 1 1 d . . .
C37' C 0.5864(4) 0.3974(3) 0.21000(10) 0.034(2) Uani 1 1 d . . .
C38' C 0.5132(5) 0.4169(4) 0.21085(11) 0.050(2) Uani 1 1 d . . .
C39' C 0.5048(5) 0.4794(4) 0.21219(13) 0.059(3) Uani 1 1 d . . .
H39B H 0.4568 0.4947 0.2143 0.071 Uiso 1 1 calc R . .
C40' C 0.5608(6) 0.5201(4) 0.21067(13) 0.057(3) Uani 1 1 d . . .
C41' C 0.6319(5) 0.4990(3) 0.20995(12) 0.046(2) Uani 1 1 d . . .
C42' C 0.6466(4) 0.4362(3) 0.21089(10) 0.037(2) Uani 1 1 d . . .
C43' C 0.7239(4) 0.4133(3) 0.21273(12) 0.034(2) Uani 1 1 d . . .
C44' C 0.7698(5) 0.4308(3) 0.22906(12) 0.047(2) Uani 1 1 d . . .
C45' C 0.8427(5) 0.4125(4) 0.22816(14) 0.054(2) Uani 1 1 d . . .
C46' C 0.8687(4) 0.3791(4) 0.21156(14) 0.047(2) Uani 1 1 d . . .
H46B H 0.9197 0.3705 0.2111 0.057 Uiso 1 1 calc R . .
C47' C 0.8270(5) 0.3584(3) 0.19640(12) 0.038(2) Uani 1 1 d . . .
C48' C 0.7531(5) 0.3732(3) 0.19752(11) 0.036(2) Uani 1 1 d . . .
C49' C 0.4424(5) 0.3789(4) 0.21182(14) 0.059(3) Uani 1 1 d . . .
C50' C 0.4056(6) 0.3864(6) 0.23342(18) 0.164(6) Uani 1 1 d . . .
H50D H 0.3968 0.4292 0.2361 0.246 Uiso 1 1 calc R . .
H50E H 0.4382 0.3702 0.2440 0.246 Uiso 1 1 calc R . .
H50F H 0.3590 0.3646 0.2337 0.246 Uiso 1 1 calc R . .
C51' C 0.4540(4) 0.3107(4) 0.21001(13) 0.082(3) Uani 1 1 d . . .
H51D H 0.4067 0.2902 0.2111 0.122 Uiso 1 1 calc R . .
H51E H 0.4864 0.2970 0.2210 0.122 Uiso 1 1 calc R . .
H51F H 0.4762 0.3014 0.1967 0.122 Uiso 1 1 calc R . .
C52' C 0.3910(6) 0.3957(6) 0.1954(2) 0.179(8) Uani 1 1 d . . .
H52D H 0.4151 0.3909 0.1821 0.269 Uiso 1 1 calc R . .
H52E H 0.3761 0.4377 0.1971 0.269 Uiso 1 1 calc R . .
H52F H 0.3478 0.3697 0.1960 0.269 Uiso 1 1 calc R . .
C53' C 0.5427(5) 0.5865(4) 0.21138(15) 0.090(3) Uani 1 1 d . . .
H53D H 0.5675 0.6050 0.2231 0.134 Uiso 1 1 calc R . .
H53E H 0.4897 0.5917 0.2128 0.134 Uiso 1 1 calc R . .
H53F H 0.5594 0.6058 0.1987 0.134 Uiso 1 1 calc R . .
C54' C 0.6958(4) 0.5456(3) 0.20836(12) 0.065(3) Uani 1 1 d . . .
H54D H 0.6851 0.5745 0.1975 0.098 Uiso 1 1 calc R . .
H54E H 0.7416 0.5245 0.2052 0.098 Uiso 1 1 calc R . .
H54F H 0.7010 0.5669 0.2214 0.098 Uiso 1 1 calc R . .
C55' C 0.7401(5) 0.4684(4) 0.24625(12) 0.060(3) Uani 1 1 d . . .
H55D H 0.7506 0.4487 0.2593 0.090 Uiso 1 1 calc R . .
H55E H 0.6871 0.4730 0.2446 0.090 Uiso 1 1 calc R . .
H55F H 0.7634 0.5082 0.2460 0.090 Uiso 1 1 calc R . .
C56' C 0.8944(5) 0.4301(4) 0.24484(14) 0.093(4) Uani 1 1 d . . .
H56D H 0.9431 0.4136 0.2420 0.139 Uiso 1 1 calc R . .
H56E H 0.8767 0.4143 0.2579 0.139 Uiso 1 1 calc R . .
H56F H 0.8974 0.4741 0.2456 0.139 Uiso 1 1 calc R . .
C57' C 0.8587(4) 0.3274(3) 0.17770(13) 0.047(2) Uani 1 1 d . . .
C58' C 0.8275(5) 0.2625(3) 0.17419(14) 0.078(3) Uani 1 1 d . . .
H58D H 0.8319 0.2392 0.1868 0.117 Uiso 1 1 calc R . .
H58E H 0.8553 0.2426 0.1633 0.117 Uiso 1 1 calc R . .
H58F H 0.7758 0.2651 0.1702 0.117 Uiso 1 1 calc R . .
C59' C 0.8430(4) 0.3643(3) 0.15828(12) 0.058(2) Uani 1 1 d . . .
H59D H 0.7901 0.3700 0.1568 0.088 Uiso 1 1 calc R . .
H59E H 0.8619 0.3428 0.1463 0.088 Uiso 1 1 calc R . .
H59F H 0.8670 0.4036 0.1593 0.088 Uiso 1 1 calc R . .
C60' C 0.9418(4) 0.3195(3) 0.17995(13) 0.061(3) Uani 1 1 d . . .
H60D H 0.9642 0.3583 0.1833 0.091 Uiso 1 1 calc R . .
H60E H 0.9622 0.3044 0.1671 0.091 Uiso 1 1 calc R . .
H60F H 0.9520 0.2907 0.1909 0.091 Uiso 1 1 calc R . .
C61' C 0.5157(5) 0.4141(4) 0.14960(15) 0.051(3) Uani 1 1 d . . .
C62' C 0.4876(5) 0.3907(4) 0.13185(13) 0.053(2) Uani 1 1 d . . .
H62B H 0.4685 0.4189 0.1223 0.063 Uiso 1 1 calc R . .
C63' C 0.4839(4) 0.3308(4) 0.12616(12) 0.047(2) Uani 1 1 d . . .
C64' C 0.5105(5) 0.4795(3) 0.15423(13) 0.068(3) Uani 1 1 d . . .
H64D H 0.4595 0.4925 0.1531 0.102 Uiso 1 1 calc R . .
H64E H 0.5407 0.5021 0.1445 0.102 Uiso 1 1 calc R . .
H64F H 0.5281 0.4870 0.1681 0.102 Uiso 1 1 calc R . .
C65' C 0.4543(5) 0.3143(4) 0.10569(11) 0.067(3) Uani 1 1 d . . .
H65D H 0.4946 0.3116 0.0959 0.101 Uiso 1 1 calc R . .
H65E H 0.4194 0.3451 0.1012 0.101 Uiso 1 1 calc R . .
H65F H 0.4293 0.2753 0.1066 0.101 Uiso 1 1 calc R . .
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 O7 2.077(5) . ?
Rh1 O8 2.085(5) . ?
Rh1 P2 2.145(2) . ?
Rh1 P1 2.149(2) . ?
P2 O4 1.608(5) . ?
P2 O6 1.619(4) . ?
P2 O5 1.631(4) . ?
P1 O1 1.601(5) . ?
P1 O2 1.610(4) . ?
P1 O3 1.636(5) . ?
O1 C25 1.404(7) . ?
O2 C12 1.413(7) . ?
O3 C1 1.413(8) . ?
O4 C36 1.406(8) . ?
O5 C37 1.442(8) . ?
O6 C48 1.404(7) . ?
O7 C61 1.230(9) . ?
O8 C63 1.280(8) . ?
C1 C6 1.382(9) . ?
C1 C2 1.406(9) . ?
C2 C3 1.362(9) . ?
C2 C13 1.548(10) . ?
C3 C4 1.382(9) . ?
C3 H3A 0.9500 . ?
C4 C5 1.409(10) . ?
C4 C17 1.531(9) . ?
C5 C6 1.394(9) . ?
C5 C18 1.513(9) . ?
C6 C7 1.502(9) . ?
C7 C12 1.401(9) . ?
C7 C8 1.439(9) . ?
C8 C9 1.403(10) . ?
C8 C19 1.501(9) . ?
C9 C10 1.369(9) . ?
C9 C20 1.526(9) . ?
C10 C11 1.389(9) . ?
C10 H10A 0.9500 . ?
C11 C12 1.427(10) . ?
C11 C21 1.523(9) . ?
C13 C15 1.524(10) . ?
C13 C16 1.544(10) . ?
C13 C14 1.572(10) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C24A 1.30(3) . ?
C21 C23 1.513(12) . ?
C21 C22 1.566(13) . ?
C21 C24 1.580(14) . ?
C21 C22A 1.59(3) . ?
C21 C23A 1.75(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C25 C30 1.386(9) . ?
C25 C26 1.399(9) . ?
C26 C27 1.398(9) . ?
C26 H26A 0.9500 . ?
C27 C28 1.370(9) . ?
C27 H27A 0.9500 . ?
C28 C29 1.376(9) . ?
C28 H28A 0.9500 . ?
C29 C30 1.390(9) . ?
C29 H29A 0.9500 . ?
C30 C31 1.503(9) . ?
C31 C36 1.381(9) . ?
C31 C32 1.405(9) . ?
C32 C33 1.359(9) . ?
C32 H32A 0.9500 . ?
C33 C34 1.362(10) . ?
C33 H33A 0.9500 . ?
C34 C35 1.405(10) . ?
C34 H34A 0.9500 . ?
C35 C36 1.369(9) . ?
C35 H35A 0.9500 . ?
C37 C42 1.371(9) . ?
C37 C38 1.401(10) . ?
C38 C39 1.383(10) . ?
C38 C49 1.529(10) . ?
C39 C40 1.377(9) . ?
C39 H39A 0.9500 . ?
C40 C41 1.406(10) . ?
C40 C53 1.526(10) . ?
C41 C42 1.388(9) . ?
C41 C54 1.525(9) . ?
C42 C43 1.504(9) . ?
C43 C48 1.382(9) . ?
C43 C44 1.407(9) . ?
C44 C45 1.392(9) . ?
C44 C55 1.539(9) . ?
C45 C46 1.369(9) . ?
C45 C56 1.535(9) . ?
C46 C47 1.380(9) . ?
C46 H46A 0.9500 . ?
C47 C48 1.403(9) . ?
C47 C57 1.555(9) . ?
C49 C50 1.495(10) . ?
C49 C52 1.528(11) . ?
C49 C51 1.543(11) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C59 1.524(9) . ?
C57 C58 1.537(9) . ?
C57 C60 1.571(9) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.418(11) . ?
C61 C64 1.524(10) . ?
C62 C63 1.375(10) . ?
C62 H62A 0.9500 . ?
C63 C65 1.523(10) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
Rh1' O8' 2.053(4) . ?
Rh1' O7' 2.084(5) . ?
Rh1' P1' 2.140(2) . ?
Rh1' P2' 2.147(2) . ?
P2' O4' 1.611(5) . ?
P2' O5' 1.615(5) . ?
P2' O6' 1.618(5) . ?
P1' O1' 1.614(5) . ?
P1' O3' 1.622(5) . ?
P1' O2' 1.625(4) . ?
O1' C25' 1.415(7) . ?
O2' C12' 1.406(8) . ?
O3' C1' 1.398(8) . ?
O4' C36' 1.391(8) . ?
O5' C37' 1.415(8) . ?
O6' C48' 1.412(8) . ?
O7' C61' 1.287(9) . ?
O8' C63' 1.298(9) . ?
C1' C6' 1.382(9) . ?
C1' C2' 1.416(9) . ?
C2' C3' 1.427(9) . ?
C2' C13' 1.544(9) . ?
C3' C4' 1.361(9) . ?
C3' H3'A 0.9500 . ?
C4' C5' 1.402(9) . ?
C4' C17' 1.520(9) . ?
C5' C6' 1.418(9) . ?
C5' C18' 1.478(9) . ?
C6' C7' 1.503(9) . ?
C7' C12' 1.385(9) . ?
C7' C8' 1.393(9) . ?
C8' C9' 1.412(9) . ?
C8' C19' 1.515(9) . ?
C9' C10' 1.374(10) . ?
C9' C20' 1.528(10) . ?
C10' C11' 1.396(9) . ?
C10' H10B 0.9500 . ?
C11' C12' 1.397(9) . ?
C11' C21' 1.536(9) . ?
C13' C16' 1.506(9) . ?
C13' C15' 1.523(9) . ?
C13' C14' 1.550(9) . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15' H15D 0.9800 . ?
C15' H15E 0.9800 . ?
C15' H15F 0.9800 . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
C17' H17D 0.9800 . ?
C17' H17E 0.9800 . ?
C17' H17F 0.9800 . ?
C18' H18D 0.9800 . ?
C18' H18E 0.9800 . ?
C18' H18F 0.9800 . ?
C19' H19D 0.9800 . ?
C19' H19E 0.9800 . ?
C19' H19F 0.9800 . ?
C20' H20D 0.9800 . ?
C20' H20E 0.9800 . ?
C20' H20F 0.9800 . ?
C21' C22' 1.484(9) . ?
C21' C23' 1.505(9) . ?
C21' C24' 1.563(10) . ?
C22' H22G 0.9800 . ?
C22' H22H 0.9800 . ?
C22' H22I 0.9800 . ?
C23' H23G 0.9800 . ?
C23' H23H 0.9800 . ?
C23' H23I 0.9800 . ?
C24' H24G 0.9800 . ?
C24' H24H 0.9800 . ?
C24' H24I 0.9800 . ?
C25' C30' 1.366(9) . ?
C25' C26' 1.395(9) . ?
C26' C27' 1.392(10) . ?
C26' H26B 0.9500 . ?
C27' C28' 1.353(11) . ?
C27' H27B 0.9500 . ?
C28' C29' 1.375(10) . ?
C28' H28B 0.9500 . ?
C29' C30' 1.361(10) . ?
C29' H29B 0.9500 . ?
C30' C31' 1.476(9) . ?
C31' C32' 1.388(9) . ?
C31' C36' 1.401(10) . ?
C32' C33' 1.381(10) . ?
C32' H32B 0.9500 . ?
C33' C34' 1.412(11) . ?
C33' H33B 0.9500 . ?
C34' C35' 1.336(10) . ?
C34' H34B 0.9500 . ?
C35' C36' 1.411(10) . ?
C35' H35B 0.9500 . ?
C37' C42' 1.399(9) . ?
C37' C38' 1.405(10) . ?
C38' C39' 1.402(11) . ?
C38' C49' 1.546(11) . ?
C39' C40' 1.368(11) . ?
C39' H39B 0.9500 . ?
C40' C41' 1.382(10) . ?
C40' C53' 1.514(10) . ?
C41' C42' 1.423(10) . ?
C41' C54' 1.565(10) . ?
C42' C43' 1.507(10) . ?
C43' C44' 1.413(10) . ?
C43' C48' 1.438(10) . ?
C44' C45' 1.394(11) . ?
C44' C55' 1.504(10) . ?
C45' C46' 1.399(10) . ?
C45' C56' 1.497(10) . ?
C46' C47' 1.332(10) . ?
C46' H46B 0.9500 . ?
C47' C48' 1.392(10) . ?
C47' C57' 1.520(10) . ?
C49' C52' 1.478(12) . ?
C49' C51' 1.534(11) . ?
C49' C50' 1.574(12) . ?
C50' H50D 0.9800 . ?
C50' H50E 0.9800 . ?
C50' H50F 0.9800 . ?
C51' H51D 0.9800 . ?
C51' H51E 0.9800 . ?
C51' H51F 0.9800 . ?
C52' H52D 0.9800 . ?
C52' H52E 0.9800 . ?
C52' H52F 0.9800 . ?
C53' H53D 0.9800 . ?
C53' H53E 0.9800 . ?
C53' H53F 0.9800 . ?
C54' H54D 0.9800 . ?
C54' H54E 0.9800 . ?
C54' H54F 0.9800 . ?
C55' H55D 0.9800 . ?
C55' H55E 0.9800 . ?
C55' H55F 0.9800 . ?
C56' H56D 0.9800 . ?
C56' H56E 0.9800 . ?
C56' H56F 0.9800 . ?
C57' C60' 1.534(10) . ?
C57' C59' 1.540(10) . ?
C57' C58' 1.569(10) . ?
C58' H58D 0.9800 . ?
C58' H58E 0.9800 . ?
C58' H58F 0.9800 . ?
C59' H59D 0.9800 . ?
C59' H59E 0.9800 . ?
C59' H59F 0.9800 . ?
C60' H60D 0.9800 . ?
C60' H60E 0.9800 . ?
C60' H60F 0.9800 . ?
C61' C62' 1.373(11) . ?
C61' C64' 1.489(10) . ?
C62' C63' 1.385(11) . ?
C62' H62B 0.9500 . ?
C63' C65' 1.491(10) . ?
C64' H64D 0.9800 . ?
C64' H64E 0.9800 . ?
C64' H64F 0.9800 . ?
C65' H65D 0.9800 . ?
C65' H65E 0.9800 . ?
C65' H65F 0.9800 . ?
