#------------------------------------------------------------------------------
#$Date: 2018-08-19 13:12:00 +0300 (Sun, 19 Aug 2018) $
#$Revision: 209927 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/10/4061067.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_4061067
loop_
_publ_author_name
'Guo, Rongwei'
'Lough, Alan J.'
'Morris, Robert H.'
'Song, Datong'
_publ_section_title
;
 Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes
 of a Beta-aminophosphine Ligand Derived from Norephedrine
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5524
_journal_page_last               5529
_journal_paper_doi               10.1021/om049460h
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C52 H70 Cl0.8 N0.8 O0.8 P2.4 Ru0.8'
_chemical_formula_weight         902.63
_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                90.00
_cell_angle_beta                 90.35(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            5
_cell_length_a                   17.667(4)
_cell_length_b                   11.113(2)
_cell_length_c                   33.147(7)
_cell_measurement_temperature    293(2)
_cell_volume                     6508(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.152
_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_original_formula_sum        'C52 H70 Cl0.80 N0.80 O0.80 P2.40 Ru0.80'
_cod_database_code               4061067
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
Ru1 Ru -0.18407(3) 0.68105(5) 0.431629(15) 0.02603(14) Uani 1 1 d . . .
H1RU H -0.145(6) 0.843(12) 0.442(3) 0.11(4) Uiso 1 1 d . . .
Ru2 Ru 0.22417(3) -1.49059(5) 0.999117(16) 0.02691(14) Uani 1 1 d . . .
H2RU H 0.187(3) -1.619(6) 0.9947(16) 0.008(14) Uiso 1 1 d . . .
Cl1 Cl -0.21371(10) 0.45429(18) 0.42863(6) 0.0362(4) Uani 1 1 d . . .
Cl2 Cl 0.26391(10) -1.26981(18) 1.00647(5) 0.0355(4) Uani 1 1 d . . .
P1 P -0.29206(10) 0.73822(19) 0.46698(5) 0.0281(4) Uani 1 1 d . . .
P2 P -0.22351(10) 0.73640(18) 0.36933(5) 0.0261(4) Uani 1 1 d . . .
P3 P -0.05976(9) 0.67993(19) 0.40936(5) 0.0266(4) Uani 1 1 d . . .
P4 P 0.27072(10) -1.55683(19) 1.06171(5) 0.0292(4) Uani 1 1 d . . .
P5 P 0.14678(10) -1.47525(18) 0.94216(5) 0.0282(4) Uani 1 1 d . . .
P6 P 0.31851(10) -1.55865(18) 0.95931(5) 0.0256(4) Uani 1 1 d . . .
N1 N -0.1487(3) 0.6331(6) 0.49262(15) 0.0290(14) Uani 1 1 d . . .
H1A H -0.1636 0.5571 0.4975 0.035 Uiso 1 1 calc R . .
H1E H -0.0978 0.6340 0.4936 0.035 Uiso 1 1 calc R . .
N2 N 0.1320(3) -1.4319(6) 1.03851(17) 0.0321(14) Uani 1 1 d . . .
H2A H 0.1438 -1.3588 1.0484 0.038 Uiso 1 1 calc R . .
H2C H 0.0898 -1.4236 1.0234 0.038 Uiso 1 1 calc R . .
C1 C -0.1501(4) 0.6659(9) 0.5672(2) 0.046(2) Uani 1 1 d . . .
H1B H -0.0958 0.6685 0.5684 0.069 Uiso 1 1 calc R . .
H1C H -0.1670 0.5848 0.5713 0.069 Uiso 1 1 calc R . .
H1D H -0.1706 0.7168 0.5878 0.069 Uiso 1 1 calc R . .
C2 C -0.1773(4) 0.7105(7) 0.52556(19) 0.0347(18) Uani 1 1 d . . .
H2B H -0.1582 0.7923 0.5214 0.042 Uiso 1 1 calc R . .
C3 C -0.2639(4) 0.7124(7) 0.52169(18) 0.0313(18) Uani 1 1 d . . .
H3A H -0.2788 0.6289 0.5269 0.038 Uiso 1 1 calc R . .
C4 C -0.3059(4) 0.7837(8) 0.5535(2) 0.038(2) Uani 1 1 d . . .
C5 C -0.3740(4) 0.7375(11) 0.5674(2) 0.056(3) Uani 1 1 d . . .
H5A H -0.3923 0.6657 0.5566 0.068 Uiso 1 1 calc R . .
C6 C -0.4149(5) 0.7957(12) 0.5966(3) 0.066(3) Uani 1 1 d . . .
H6A H -0.4610 0.7649 0.6053 0.079 Uiso 1 1 calc R . .
C7 C -0.3865(6) 0.9005(13) 0.6127(3) 0.081(4) Uani 1 1 d . . .
H7A H -0.4137 0.9404 0.6326 0.097 Uiso 1 1 calc R . .
C8 C -0.3178(6) 0.9481(12) 0.6000(3) 0.081(4) Uani 1 1 d . . .
H8A H -0.2993 1.0196 0.6109 0.097 Uiso 1 1 calc R . .
C9 C -0.2772(5) 0.8856(9) 0.5705(2) 0.052(2) Uani 1 1 d . . .
H9A H -0.2301 0.9141 0.5624 0.063 Uiso 1 1 calc R . .
C10 C -0.3846(4) 0.6653(8) 0.4690(2) 0.0332(18) Uani 1 1 d . . .
C11 C -0.4525(4) 0.7227(8) 0.4765(2) 0.0378(18) Uani 1 1 d . . .
H11A H -0.4527 0.8058 0.4797 0.045 Uiso 1 1 calc R . .
C12 C -0.5210(4) 0.6596(9) 0.4793(2) 0.049(2) Uani 1 1 d . . .
H12A H -0.5658 0.7007 0.4843 0.059 Uiso 1 1 calc R . .
C13 C -0.5214(4) 0.5359(8) 0.4748(2) 0.044(2) Uani 1 1 d . . .
H13A H -0.5666 0.4932 0.4761 0.053 Uiso 1 1 calc R . .
C14 C -0.4550(4) 0.4774(8) 0.4682(2) 0.041(2) Uani 1 1 d . . .
H14A H -0.4556 0.3941 0.4655 0.049 Uiso 1 1 calc R . .
C15 C -0.3864(4) 0.5376(8) 0.4655(2) 0.040(2) Uani 1 1 d . . .
H15A H -0.3418 0.4948 0.4615 0.048 Uiso 1 1 calc R . .
C16 C -0.3179(4) 0.8970(8) 0.4596(2) 0.0352(18) Uani 1 1 d . . .
C17 C -0.3725(4) 0.9273(8) 0.4297(2) 0.041(2) Uani 1 1 d . . .
H17A H -0.4003 0.8672 0.4170 0.050 Uiso 1 1 calc R . .
C18 C -0.3842(5) 1.0468(8) 0.4196(3) 0.051(2) Uani 1 1 d . . .
H18A H -0.4198 1.0674 0.4000 0.061 Uiso 1 1 calc R . .
C19 C -0.3416(5) 1.1369(9) 0.4392(3) 0.058(3) Uani 1 1 d . . .
H19A H -0.3500 1.2172 0.4327 0.070 Uiso 1 1 calc R . .
C20 C -0.2879(5) 1.1087(10) 0.4678(3) 0.055(2) Uani 1 1 d . . .
H20A H -0.2598 1.1688 0.4804 0.066 Uiso 1 1 calc R . .
C21 C -0.2766(4) 0.9890(8) 0.4774(2) 0.0404(19) Uani 1 1 d . . .
H21A H -0.2399 0.9695 0.4966 0.048 Uiso 1 1 calc R . .
C22 C -0.1737(4) 0.6474(6) 0.32957(19) 0.0265(16) Uani 1 1 d . . .
C23 C -0.2079(4) 0.5402(7) 0.31552(19) 0.0301(17) Uani 1 1 d . . .
H23A H -0.2563 0.5203 0.3243 0.036 Uiso 1 1 calc R . .
C24 C -0.1721(4) 0.4665(7) 0.2898(2) 0.0308(17) Uani 1 1 d . . .
H24A H -0.1966 0.3973 0.2808 0.037 Uiso 1 1 calc R . .
C25 C -0.0992(4) 0.4912(7) 0.2763(2) 0.0327(17) Uani 1 1 d . . .
C26 C -0.0607(5) 0.4156(8) 0.2484(2) 0.042(2) Uani 1 1 d . . .
H26A H -0.0849 0.3471 0.2387 0.050 Uiso 1 1 calc R . .
C27 C 0.0107(5) 0.4411(9) 0.2356(3) 0.051(2) Uani 1 1 d . . .
H27A H 0.0343 0.3917 0.2169 0.061 Uiso 1 1 calc R . .
C28 C 0.0484(5) 0.5422(8) 0.2510(2) 0.049(2) Uani 1 1 d . . .
H28A H 0.0976 0.5588 0.2429 0.058 Uiso 1 1 calc R . .
C29 C 0.0130(4) 0.6171(7) 0.2779(2) 0.0359(18) Uani 1 1 d . . .
H29A H 0.0391 0.6833 0.2880 0.043 Uiso 1 1 calc R . .
C30 C -0.0626(4) 0.5960(7) 0.29065(19) 0.0281(16) Uani 1 1 d . . .
C31 C -0.1008(4) 0.6742(7) 0.31825(18) 0.0253(14) Uani 1 1 d . . .
C32 C -0.0594(4) 0.7840(7) 0.3328(2) 0.0287(16) Uani 1 1 d . . .
C33 C -0.0358(4) 0.7982(7) 0.3716(2) 0.0296(16) Uani 1 1 d . . .
C34 C 0.0018(4) 0.9047(7) 0.3832(2) 0.0334(17) Uani 1 1 d . . .
H34A H 0.0182 0.9129 0.4097 0.040 Uiso 1 1 calc R . .
C35 C 0.0150(4) 0.9956(8) 0.3568(2) 0.0387(18) Uani 1 1 d . . .
H35A H 0.0406 1.0641 0.3654 0.046 Uiso 1 1 calc R . .
C36 C -0.0102(4) 0.9868(7) 0.3159(2) 0.0344(18) Uani 1 1 d . . .
C37 C 0.0013(5) 1.0797(8) 0.2875(2) 0.045(2) Uani 1 1 d . . .
H37A H 0.0260 1.1498 0.2955 0.054 Uiso 1 1 calc R . .
C38 C -0.0238(5) 1.0678(9) 0.2481(2) 0.049(2) Uani 1 1 d . . .
H38A H -0.0160 1.1296 0.2297 0.058 Uiso 1 1 calc R . .
C39 C -0.0612(4) 0.9619(8) 0.2360(2) 0.0389(19) Uani 1 1 d . . .
H39A H -0.0777 0.9538 0.2095 0.047 Uiso 1 1 calc R . .
C40 C -0.0733(4) 0.8710(7) 0.2629(2) 0.0332(17) Uani 1 1 d . . .
H40A H -0.0994 0.8028 0.2544 0.040 Uiso 1 1 calc R . .
C41 C -0.0469(4) 0.8781(7) 0.3034(2) 0.0326(17) Uani 1 1 d . . .
C42 C -0.2121(4) 0.8907(7) 0.3514(2) 0.0300(17) Uani 1 1 d . . .
C43 C -0.2216(4) 0.9172(8) 0.3106(2) 0.0387(19) Uani 1 1 d . . .
H43A H -0.2300 0.8559 0.2921 0.046 Uiso 1 1 calc R . .
C44 C -0.2182(5) 1.0374(9) 0.2979(3) 0.055(3) Uani 1 1 d . . .
H44A H -0.2257 1.0559 0.2708 0.067 Uiso 1 1 calc R . .
C45 C -0.2042(5) 1.1264(8) 0.3246(3) 0.054(2) Uani 1 1 d . . .
H45A H -0.2017 1.2055 0.3156 0.064 Uiso 1 1 calc R . .
C46 C -0.1938(5) 1.1034(8) 0.3635(3) 0.043(2) Uani 1 1 d . . .
H46A H -0.1845 1.1658 0.3815 0.052 Uiso 1 1 calc R . .
C47 C -0.1970(4) 0.9853(7) 0.3771(2) 0.0333(18) Uani 1 1 d . . .
H47A H -0.1886 0.9697 0.4043 0.040 Uiso 1 1 calc R . .
C48 C -0.3251(4) 0.7118(7) 0.3574(2) 0.0349(19) Uani 1 1 d . . .
C49 C -0.3714(4) 0.7926(8) 0.3380(2) 0.045(2) Uani 1 1 d . . .
H49A H -0.3507 0.8629 0.3276 0.053 Uiso 1 1 calc R . .
C50 C -0.4491(5) 0.7718(10) 0.3335(3) 0.062(3) Uani 1 1 d . . .
H50A H -0.4791 0.8281 0.3202 0.075 Uiso 1 1 calc R . .
C51 C -0.4802(5) 0.6726(12) 0.3481(3) 0.067(3) Uani 1 1 d . . .
H51A H -0.5322 0.6611 0.3457 0.080 Uiso 1 1 calc R . .
C52 C -0.4353(4) 0.5840(10) 0.3674(3) 0.056(3) Uani 1 1 d . . .
H52A H -0.4564 0.5123 0.3764 0.067 Uiso 1 1 calc R . .
C53 C -0.3581(4) 0.6075(9) 0.3724(2) 0.043(2) Uani 1 1 d . . .
H53A H -0.3280 0.5520 0.3861 0.051 Uiso 1 1 calc R . .
C54 C -0.0100(4) 0.5516(7) 0.3861(2) 0.0299(17) Uani 1 1 d . . .
C55 C 0.0660(4) 0.5653(8) 0.3742(2) 0.0386(18) Uani 1 1 d . . .
H55A H 0.0907 0.6386 0.3774 0.046 Uiso 1 1 calc R . .
C56 C 0.1032(4) 0.4676(8) 0.3575(2) 0.043(2) Uani 1 1 d . . .
H56A H 0.1539 0.4748 0.3504 0.051 Uiso 1 1 calc R . .
C57 C 0.0665(4) 0.3609(8) 0.3513(2) 0.042(2) Uani 1 1 d . . .
H57A H 0.0922 0.2961 0.3401 0.050 Uiso 1 1 calc R . .
C58 C -0.0078(4) 0.3492(8) 0.3614(2) 0.0387(19) Uani 1 1 d . . .
H58A H -0.0330 0.2775 0.3561 0.046 Uiso 1 1 calc R . .
C59 C -0.0462(4) 0.4438(7) 0.3797(2) 0.0313(17) Uani 1 1 d . . .
H59A H -0.0963 0.4340 0.3876 0.038 Uiso 1 1 calc R . .
C60 C 0.0032(4) 0.7079(6) 0.4534(2) 0.0286(16) Uani 1 1 d . . .
C61 C -0.0053(4) 0.8142(8) 0.4765(2) 0.0352(18) Uani 1 1 d . . .
H61A H -0.0377 0.8748 0.4676 0.042 Uiso 1 1 calc R . .
C62 C 0.0348(4) 0.8284(8) 0.5128(2) 0.0388(19) Uani 1 1 d . . .
H62A H 0.0297 0.8993 0.5274 0.047 Uiso 1 1 calc R . .
C63 C 0.0818(4) 0.7382(8) 0.5270(2) 0.041(2) Uani 1 1 d . . .
H63A H 0.1073 0.7480 0.5514 0.049 Uiso 1 1 calc R . .
C64 C 0.0908(4) 0.6353(8) 0.5055(2) 0.042(2) Uani 1 1 d . . .
H64A H 0.1223 0.5748 0.5152 0.050 Uiso 1 1 calc R . .
C65 C 0.0522(4) 0.6197(7) 0.4679(2) 0.0302(17) Uani 1 1 d . . .
H65A H 0.0598 0.5499 0.4530 0.036 Uiso 1 1 calc R . .
C66 C 0.0516(4) -1.4608(8) 1.0987(2) 0.043(2) Uani 1 1 d . . .
H66A H 0.0062 -1.4543 1.0828 0.065 Uiso 1 1 calc R . .
H66B H 0.0662 -1.3826 1.1082 0.065 Uiso 1 1 calc R . .
H66C H 0.0426 -1.5128 1.1213 0.065 Uiso 1 1 calc R . .
C67 C 0.1142(4) -1.5127(8) 1.0731(2) 0.0352(18) Uani 1 1 d . . .
H67A H 0.0982 -1.5912 1.0627 0.042 Uiso 1 1 calc R . .
C68 C 0.1886(4) -1.5284(8) 1.0971(2) 0.0352(18) Uani 1 1 d . . .
H68A H 0.1988 -1.4482 1.1082 0.042 Uiso 1 1 calc R . .
C69 C 0.1815(4) -1.6084(9) 1.1342(2) 0.044(2) Uani 1 1 d . . .
C70 C 0.1366(5) -1.7099(9) 1.1353(3) 0.054(2) Uani 1 1 d . . .
H70A H 0.1068 -1.7291 1.1130 0.064 Uiso 1 1 calc R . .
C71 C 0.1347(7) -1.7837(11) 1.1689(4) 0.083(4) Uani 1 1 d . . .
H71A H 0.1049 -1.8527 1.1685 0.100 Uiso 1 1 calc R . .
C72 C 0.1763(7) -1.7564(16) 1.2031(4) 0.105(6) Uani 1 1 d . . .
H72A H 0.1751 -1.8062 1.2256 0.126 Uiso 1 1 calc R . .
C73 C 0.2201(7) -1.6531(17) 1.2030(3) 0.102(5) Uani 1 1 d . . .
H73A H 0.2473 -1.6311 1.2259 0.122 Uiso 1 1 calc R . .
C74 C 0.2231(5) -1.5829(12) 1.1687(3) 0.069(3) Uani 1 1 d . . .
H74A H 0.2543 -1.5156 1.1687 0.083 Uiso 1 1 calc R . .
C75 C 0.3454(4) -1.4876(10) 1.0938(2) 0.043(2) Uani 1 1 d . . .
C76 C 0.3861(4) -1.5538(10) 1.1226(2) 0.049(2) Uani 1 1 d . . .
H76A H 0.3785 -1.6363 1.1250 0.059 Uiso 1 1 calc R . .
C77 C 0.4382(5) -1.4956(12) 1.1475(2) 0.059(3) Uani 1 1 d . . .
H77A H 0.4651 -1.5391 1.1668 0.071 Uiso 1 1 calc R . .
C78 C 0.4501(5) -1.3717(12) 1.1437(3) 0.063(3) Uani 1 1 d . . .
H78A H 0.4856 -1.3330 1.1599 0.076 Uiso 1 1 calc R . .
C79 C 0.4094(5) -1.3084(11) 1.1161(2) 0.055(3) Uani 1 1 d . . .
H79A H 0.4168 -1.2259 1.1136 0.066 Uiso 1 1 calc R . .
C80 C 0.3573(4) -1.3654(9) 1.0916(2) 0.042(2) Uani 1 1 d . . .
H80A H 0.3294 -1.3201 1.0732 0.051 Uiso 1 1 calc R . .
C81 C 0.2959(4) -1.7164(7) 1.0628(2) 0.0305(17) Uani 1 1 d . . .
C82 C 0.3712(4) -1.7515(8) 1.0568(2) 0.0378(19) Uani 1 1 d . . .
H82A H 0.4094 -1.6944 1.0546 0.045 Uiso 1 1 calc R . .
C83 C 0.3871(4) -1.8732(9) 1.0542(2) 0.043(2) Uani 1 1 d . . .
H83A H 0.4372 -1.8969 1.0510 0.052 Uiso 1 1 calc R . .
C84 C 0.3325(4) -1.9600(9) 1.0561(2) 0.048(2) Uani 1 1 d . . .
H84A H 0.3451 -2.0410 1.0540 0.058 Uiso 1 1 calc R . .
C85 C 0.2584(5) -1.9252(8) 1.0610(2) 0.044(2) Uani 1 1 d . . .
H85A H 0.2204 -1.9830 1.0622 0.053 Uiso 1 1 calc R . .
C86 C 0.2405(4) -1.8052(8) 1.0642(2) 0.0349(18) Uani 1 1 d . . .
H86A H 0.1901 -1.7829 1.0673 0.042 Uiso 1 1 calc R . .
C87 C 0.1641(4) -1.5795(7) 0.8998(2) 0.0314(17) Uani 1 1 d . . .
C88 C 0.1158(4) -1.6782(7) 0.8918(2) 0.0369(18) Uani 1 1 d . . .
H88A H 0.0745 -1.6906 0.9085 0.044 Uiso 1 1 calc R . .
C89 C 0.1271(4) -1.7556(7) 0.8607(2) 0.0384(19) Uani 1 1 d . . .
H89A H 0.0935 -1.8189 0.8564 0.046 Uiso 1 1 calc R . .
C90 C 0.1889(5) -1.7409(8) 0.8350(2) 0.041(2) Uani 1 1 d . . .
C91 C 0.2032(5) -1.8225(8) 0.8027(2) 0.0412(18) Uani 1 1 d . . .
H91A H 0.1703 -1.8864 0.7980 0.049 Uiso 1 1 calc R . .
C92 C 0.2642(5) -1.8076(8) 0.7788(2) 0.048(2) Uani 1 1 d . . .
H92A H 0.2737 -1.8627 0.7583 0.058 Uiso 1 1 calc R . .
C93 C 0.3140(5) -1.7080(8) 0.7847(2) 0.046(2) Uani 1 1 d . . .
H93A H 0.3550 -1.6977 0.7676 0.055 Uiso 1 1 calc R . .
C94 C 0.3022(4) -1.6270(7) 0.8154(2) 0.0375(19) Uani 1 1 d . . .
H94A H 0.3356 -1.5634 0.8192 0.045 Uiso 1 1 calc R . .
C95 C 0.2385(4) -1.6404(7) 0.8414(2) 0.0330(17) Uani 1 1 d . . .
C96 C 0.2260(4) -1.5610(7) 0.8750(2) 0.0287(16) Uani 1 1 d . . .
C97 C 0.2803(3) -1.4591(6) 0.88234(19) 0.0238(15) Uani 1 1 d . . .
C98 C 0.3284(4) -1.4579(6) 0.9153(2) 0.0280(16) Uani 1 1 d . . .
C99 C 0.3807(4) -1.3605(7) 0.9196(2) 0.0306(17) Uani 1 1 d . . .
H99A H 0.4121 -1.3577 0.9422 0.037 Uiso 1 1 calc R . .
C100 C 0.3860(4) -1.2719(7) 0.8915(2) 0.0347(17) Uani 1 1 d . . .
H10A H 0.4221 -1.2117 0.8947 0.042 Uiso 1 1 calc R . .
C101 C 0.3382(4) -1.2701(7) 0.8583(2) 0.0294(16) Uani 1 1 d . . .
C102 C 0.3410(4) -1.1750(8) 0.8291(2) 0.0396(19) Uani 1 1 d . . .
H10B H 0.3759 -1.1132 0.8325 0.048 Uiso 1 1 calc R . .
C103 C 0.2933(4) -1.1735(8) 0.7966(2) 0.0402(19) Uani 1 1 d . . .
H10C H 0.2968 -1.1119 0.7777 0.048 Uiso 1 1 calc R . .
C104 C 0.2390(4) -1.2644(8) 0.7915(2) 0.0381(18) Uani 1 1 d . . .
H10D H 0.2055 -1.2616 0.7698 0.046 Uiso 1 1 calc R . .
C105 C 0.2352(4) -1.3585(7) 0.8189(2) 0.0318(17) Uani 1 1 d . . .
H10E H 0.1998 -1.4193 0.8149 0.038 Uiso 1 1 calc R . .
C106 C 0.2847(4) -1.3638(7) 0.8530(2) 0.0297(16) Uani 1 1 d . . .
C107 C 0.0485(4) -1.5072(8) 0.9587(2) 0.0337(18) Uani 1 1 d . . .
C108 C 0.0315(4) -1.6182(8) 0.9778(2) 0.0369(18) Uani 1 1 d . . .
H10F H 0.0680 -1.6784 0.9791 0.044 Uiso 1 1 calc R . .
C109 C -0.0388(4) -1.6369(8) 0.9942(2) 0.042(2) Uani 1 1 d . . .
H10G H -0.0506 -1.7118 1.0049 0.050 Uiso 1 1 calc R . .
C110 C -0.0916(4) -1.5466(9) 0.9950(2) 0.043(2) Uani 1 1 d . . .
H11B H -0.1384 -1.5599 1.0069 0.052 Uiso 1 1 calc R . .
C111 C -0.0757(4) -1.4375(8) 0.9783(2) 0.041(2) Uani 1 1 d . . .
H11C H -0.1109 -1.3754 0.9794 0.050 Uiso 1 1 calc R . .
C112 C -0.0065(4) -1.4199(7) 0.9597(2) 0.0320(17) Uani 1 1 d . . .
H11D H 0.0030 -1.3462 0.9474 0.038 Uiso 1 1 calc R . .
C113 C 0.1290(4) -1.3396(7) 0.9109(2) 0.0301(17) Uani 1 1 d . . .
C114 C 0.0791(4) -1.3492(7) 0.8786(2) 0.0359(18) Uani 1 1 d . . .
H11E H 0.0554 -1.4223 0.8734 0.043 Uiso 1 1 calc R . .
C115 C 0.0641(4) -1.2500(7) 0.8540(2) 0.0355(18) Uani 1 1 d . . .
H11F H 0.0303 -1.2567 0.8325 0.043 Uiso 1 1 calc R . .
C116 C 0.1008(4) -1.1394(7) 0.8619(2) 0.0359(18) Uani 1 1 d . . .
H11G H 0.0920 -1.0727 0.8456 0.043 Uiso 1 1 calc R . .
C117 C 0.1504(4) -1.1327(8) 0.8947(2) 0.042(2) Uani 1 1 d . . .
H11H H 0.1746 -1.0605 0.9008 0.051 Uiso 1 1 calc R . .
C118 C 0.1636(4) -1.2329(7) 0.9182(2) 0.0356(18) Uani 1 1 d . . .
H11I H 0.1974 -1.2271 0.9398 0.043 Uiso 1 1 calc R . .
C119 C 0.4163(4) -1.5637(7) 0.9807(2) 0.0276(16) Uani 1 1 d . . .
C120 C 0.4688(4) -1.6519(7) 0.9710(2) 0.0288(16) Uani 1 1 d . . .
H12B H 0.4579 -1.7073 0.9507 0.035 Uiso 1 1 calc R . .
C121 C 0.5367(4) -1.6578(7) 0.9911(2) 0.0345(18) Uani 1 1 d . . .
H12C H 0.5717 -1.7169 0.9846 0.041 Uiso 1 1 calc R . .
C122 C 0.5529(4) -1.5744(8) 1.0215(2) 0.041(2) Uani 1 1 d . . .
H12D H 0.5989 -1.5786 1.0353 0.050 Uiso 1 1 calc R . .
C123 C 0.5018(4) -1.4864(8) 1.0314(2) 0.0354(17) Uani 1 1 d . . .
H12E H 0.5130 -1.4313 1.0516 0.042 Uiso 1 1 calc R . .
C124 C 0.4335(4) -1.4804(7) 1.01089(19) 0.0290(15) Uani 1 1 d . . .
H12F H 0.3989 -1.4204 1.0173 0.035 Uiso 1 1 calc R . .
C125 C 0.3142(4) -1.7096(7) 0.9376(2) 0.0280(16) Uani 1 1 d . . .
C126 C 0.2785(4) -1.8004(7) 0.9584(2) 0.0321(17) Uani 1 1 d . . .
H12G H 0.2534 -1.7826 0.9823 0.039 Uiso 1 1 calc R . .
C127 C 0.2794(4) -1.9183(7) 0.9443(2) 0.0363(18) Uani 1 1 d . . .
H12H H 0.2558 -1.9786 0.9591 0.044 Uiso 1 1 calc R . .
C128 C 0.3152(4) -1.9464(7) 0.9084(2) 0.0387(19) Uani 1 1 d . . .
H12I H 0.3138 -2.0247 0.8985 0.046 Uiso 1 1 calc R . .
C129 C 0.3532(4) -1.8570(7) 0.8871(2) 0.0329(17) Uani 1 1 d . . .
H12J H 0.3781 -1.8752 0.8632 0.039 Uiso 1 1 calc R . .
C130 C 0.3535(4) -1.7413(8) 0.9020(2) 0.0324(18) Uani 1 1 d . . .
H13B H 0.3803 -1.6822 0.8883 0.039 Uiso 1 1 calc R . .
C131 C 0.2164(6) 0.7758(13) 1.1565(4) 0.087(4) Uani 1 1 d . . .
H13K H 0.2656 0.7460 1.1574 0.105 Uiso 1 1 calc R . .
C132 C 0.1898(7) 0.8256(11) 1.1218(4) 0.087(4) Uani 1 1 d . . .
H13J H 0.2194 0.8286 1.0988 0.104 Uiso 1 1 calc R . .
C133 C 0.1185(6) 0.8708(10) 1.1221(3) 0.069(3) Uani 1 1 d . . .
H13I H 0.0988 0.9056 1.0988 0.083 Uiso 1 1 calc R . .
C134 C 0.0757(5) 0.8663(9) 1.1555(3) 0.057(3) Uani 1 1 d . . .
H13H H 0.0270 0.8981 1.1553 0.068 Uiso 1 1 calc R . .
C135 C 0.1037(6) 0.8160(11) 1.1888(3) 0.074(3) Uiso 1 1 d . . .
H13G H 0.0742 0.8138 1.2119 0.089 Uiso 1 1 calc R . .
C136 C 0.1727(7) 0.7687(12) 1.1898(4) 0.087(4) Uiso 1 1 d . . .
H13F H 0.1907 0.7313 1.2131 0.105 Uiso 1 1 calc R . .
C137 C -0.2073(8) -0.4859(15) 0.7111(4) 0.112(5) Uiso 1 1 d . . .
H13E H -0.1627 -0.5267 0.7172 0.135 Uiso 1 1 calc R . .
C138 C -0.2650(10) -0.4933(19) 0.7366(5) 0.139(6) Uiso 1 1 d . . .
H13C H -0.2619 -0.5389 0.7601 0.167 Uiso 1 1 calc R . .
C139 C -0.3280(12) -0.432(2) 0.7267(6) 0.170(8) Uiso 1 1 d . . .
H13D H -0.3709 -0.4411 0.7425 0.203 Uiso 1 1 calc R . .
C140 C -0.3313(11) -0.3514(19) 0.6926(5) 0.149(7) Uiso 1 1 d . . .
H14D H -0.3746 -0.3069 0.6869 0.179 Uiso 1 1 calc R . .
C141 C -0.2703(9) -0.3432(19) 0.6693(5) 0.134(6) Uiso 1 1 d . . .
H14E H -0.2674 -0.2868 0.6487 0.161 Uiso 1 1 calc R . .
C142 C -0.2112(10) -0.4222(18) 0.6773(5) 0.136(6) Uiso 1 1 d . . .
H14B H -0.1731 -0.4309 0.6582 0.164 Uiso 1 1 calc R . .
C143 C -0.2285(10) 0.3182(17) 0.6079(5) 0.133(6) Uiso 1 1 d . . .
H14J H -0.1888 0.3022 0.6257 0.160 Uiso 1 1 calc R . .
C144 C -0.3037(9) 0.3334(17) 0.6238(5) 0.131(6) Uiso 1 1 d . . .
H14C H -0.3162 0.3121 0.6500 0.158 Uiso 1 1 calc R . .
C145 C -0.3561(9) 0.3821(16) 0.5969(5) 0.127(6) Uiso 1 1 d . . .
H14I H -0.4012 0.4140 0.6065 0.153 Uiso 1 1 calc R . .
C146 C -0.3424(9) 0.3833(16) 0.5586(5) 0.114(5) Uiso 1 1 d . . .
H14H H -0.3814 0.4020 0.5406 0.137 Uiso 1 1 calc R . .
C147 C -0.2754(9) 0.3588(16) 0.5445(5) 0.119(5) Uiso 1 1 d . . .
H14G H -0.2678 0.3632 0.5168 0.143 Uiso 1 1 calc R . .
C148 C -0.2143(9) 0.3262(14) 0.5692(5) 0.119(6) Uani 1 1 d . . .
H14F H -0.1664 0.3112 0.5588 0.143 Uiso 1 1 calc R . .
C149 C -0.5004(8) -0.446(3) 0.8259(7) 0.163(15) Uiso 0.50 1 d PG . .
C150 C -0.4744(12) -0.561(2) 0.8167(6) 0.109(9) Uiso 0.50 1 d PG . .
C151 C -0.3973(13) -0.5852(17) 0.8177(6) 0.133(12) Uiso 0.50 1 d PG . .
C152 C -0.3461(8) -0.495(2) 0.8278(6) 0.125(10) Uiso 0.50 1 d PG . .
C153 C -0.3720(12) -0.3801(19) 0.8369(6) 0.096(8) Uiso 0.50 1 d PG . .
C184 C -0.4492(14) -0.3555(18) 0.8359(7) 0.21(2) Uiso 0.50 1 d PG . .
C155 C -0.3549(15) -0.0222(18) 0.7228(7) 0.115(10) Uiso 0.50 1 d PG . .
C156 C -0.4164(11) 0.038(3) 0.7393(7) 0.154(14) Uiso 0.50 1 d PG . .
C157 C -0.4137(12) 0.162(3) 0.7448(6) 0.138(12) Uiso 0.50 1 d PG . .
C158 C -0.3494(17) 0.2256(18) 0.7338(7) 0.139(12) Uiso 0.50 1 d PG . .
C159 C -0.2878(12) 0.166(3) 0.7174(7) 0.176(16) Uiso 0.50 1 d PG . .
C160 C -0.2906(11) 0.042(3) 0.7119(6) 0.131(11) Uiso 0.50 1 d PG . .
C166 C -0.5316(12) -0.318(3) 0.7390(6) 0.121(10) Uiso 0.50 1 d PG . .
C164 C -0.5753(14) -0.3631(19) 0.7073(8) 0.119(10) Uiso 0.50 1 d PG . .
C165 C -0.6114(12) -0.284(3) 0.6810(6) 0.146(13) Uiso 0.50 1 d PG . .
C163 C -0.6039(14) -0.161(2) 0.6863(7) 0.142(12) Uiso 0.50 1 d PG . .
C162 C -0.5602(17) -0.1161(19) 0.7180(9) 0.157(14) Uiso 0.50 1 d PG . .
C161 C -0.5241(14) -0.195(3) 0.7443(7) 0.35(4) Uiso 0.50 1 d PG . .
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
Ru1 N1 2.179(5) . ?
Ru1 P2 2.2605(18) . ?
Ru1 P3 2.3214(18) . ?
Ru1 P1 2.333(2) . ?
Ru1 Cl1 2.576(2) . ?
Ru2 N2 2.193(6) . ?
Ru2 P6 2.262(2) . ?
Ru2 P5 2.3305(18) . ?
Ru2 P4 2.3456(19) . ?
Ru2 Cl2 2.563(2) . ?
P1 C10 1.826(7) . ?
P1 C16 1.839(8) . ?
P1 C3 1.899(6) . ?
P2 C42 1.826(8) . ?
P2 C48 1.856(7) . ?
P2 C22 1.872(7) . ?
P3 C54 1.846(8) . ?
P3 C60 1.856(7) . ?
P3 C33 1.865(8) . ?
P4 C81 1.828(8) . ?
P4 C75 1.856(8) . ?
P4 C68 1.897(7) . ?
P5 C87 1.848(8) . ?
P5 C113 1.855(8) . ?
P5 C107 1.859(7) . ?
P6 C125 1.827(8) . ?
P6 C98 1.848(7) . ?
P6 C119 1.863(7) . ?
N1 C2 1.481(9) . ?
N2 C67 1.491(9) . ?
C1 C2 1.540(9) . ?
C2 C3 1.535(9) . ?
C3 C4 1.516(10) . ?
C4 C9 1.362(12) . ?
C4 C5 1.391(12) . ?
C5 C6 1.374(13) . ?
C6 C7 1.375(16) . ?
C7 C8 1.391(17) . ?
C8 C9 1.401(12) . ?
C10 C11 1.382(10) . ?
C10 C15 1.424(12) . ?
C11 C12 1.403(11) . ?
C12 C13 1.383(13) . ?
C13 C14 1.360(11) . ?
C14 C15 1.389(11) . ?
C16 C21 1.387(11) . ?
C16 C17 1.418(10) . ?
C17 C18 1.385(12) . ?
C18 C19 1.409(13) . ?
C19 C20 1.373(13) . ?
C20 C21 1.382(13) . ?
C22 C31 1.376(10) . ?
C22 C23 1.414(10) . ?
C23 C24 1.343(10) . ?
C24 C25 1.394(10) . ?
C25 C30 1.413(10) . ?
C25 C26 1.425(11) . ?
C26 C27 1.364(12) . ?
C27 C28 1.399(12) . ?
C28 C29 1.374(11) . ?
C29 C30 1.424(10) . ?
C30 C31 1.434(10) . ?
C31 C32 1.500(10) . ?
C32 C33 1.362(10) . ?
C32 C41 1.445(10) . ?
C33 C34 1.409(10) . ?
C34 C35 1.358(11) . ?
C35 C36 1.427(10) . ?
C36 C37 1.411(11) . ?
C36 C41 1.431(10) . ?
C37 C38 1.383(11) . ?
C38 C39 1.406(12) . ?
C39 C40 1.364(11) . ?
C40 C41 1.423(10) . ?
C42 C47 1.378(10) . ?
C42 C43 1.392(10) . ?
C43 C44 1.402(12) . ?
C44 C45 1.350(13) . ?
C45 C46 1.324(11) . ?
C46 C47 1.388(11) . ?
C48 C49 1.371(11) . ?
C48 C53 1.390(11) . ?
C49 C50 1.398(11) . ?
C50 C51 1.325(15) . ?
C51 C52 1.415(14) . ?
C52 C53 1.397(10) . ?
C54 C59 1.374(10) . ?
C54 C55 1.411(10) . ?
C55 C56 1.386(11) . ?
C56 C57 1.367(12) . ?
C57 C58 1.362(11) . ?
C58 C59 1.392(10) . ?
C60 C65 1.391(10) . ?
C60 C61 1.416(10) . ?
C61 C62 1.400(9) . ?
C62 C63 1.383(11) . ?
C63 C64 1.358(11) . ?
C64 C65 1.427(10) . ?
C66 C67 1.512(10) . ?
C67 C68 1.541(9) . ?
C68 C69 1.523(11) . ?
C69 C74 1.383(12) . ?
C69 C70 1.381(13) . ?
C70 C71 1.383(14) . ?
C71 C72 1.381(18) . ?
C72 C73 1.38(2) . ?
C73 C74 1.381(16) . ?
C75 C80 1.376(14) . ?
C75 C76 1.401(12) . ?
C76 C77 1.392(12) . ?
C77 C78 1.398(16) . ?
C78 C79 1.357(14) . ?
C79 C80 1.376(11) . ?
C81 C86 1.391(11) . ?
C81 C82 1.402(10) . ?
C82 C83 1.384(12) . ?
C83 C84 1.366(12) . ?
C84 C85 1.375(11) . ?
C85 C86 1.375(12) . ?
C87 C96 1.388(10) . ?
C87 C88 1.413(10) . ?
C88 C89 1.359(11) . ?
C89 C90 1.396(11) . ?
C90 C91 1.429(11) . ?
C90 C95 1.435(11) . ?
C91 C92 1.351(11) . ?
C92 C93 1.427(12) . ?
C93 C94 1.374(10) . ?
C94 C95 1.431(11) . ?
C95 C96 1.438(10) . ?
C96 C97 1.503(10) . ?
C97 C98 1.380(9) . ?
C97 C106 1.440(10) . ?
C98 C99 1.430(10) . ?
C99 C100 1.358(10) . ?
C100 C101 1.385(10) . ?
C101 C106 1.416(10) . ?
C101 C102 1.433(10) . ?
C102 C103 1.365(11) . ?
C103 C104 1.402(11) . ?
C104 C105 1.386(10) . ?
C105 C106 1.427(9) . ?
C107 C112 1.374(10) . ?
C107 C108 1.419(11) . ?
C108 C109 1.374(10) . ?
C109 C110 1.371(12) . ?
C110 C111 1.362(12) . ?
C111 C112 1.387(11) . ?
C113 C118 1.356(11) . ?
C113 C114 1.385(9) . ?
C114 C115 1.397(10) . ?
C115 C116 1.413(11) . ?
C116 C117 1.396(11) . ?
C117 C118 1.377(11) . ?
C119 C120 1.389(10) . ?
C119 C124 1.397(10) . ?
C120 C121 1.369(9) . ?
C121 C122 1.398(11) . ?
C122 C123 1.372(11) . ?
C123 C124 1.382(9) . ?
C125 C126 1.377(10) . ?
C125 C130 1.419(10) . ?
C126 C127 1.391(11) . ?
C127 C128 1.388(11) . ?
C128 C129 1.393(11) . ?
C129 C130 1.377(11) . ?
C131 C132 1.355(16) . ?
C131 C136 1.354(15) . ?
C132 C133 1.357(15) . ?
C133 C134 1.345(13) . ?
C134 C135 1.329(13) . ?
C135 C136 1.327(15) . ?
C137 C138 1.330(19) . ?
C137 C142 1.33(2) . ?
C138 C139 1.35(2) . ?
C139 C140 1.44(2) . ?
C140 C141 1.33(2) . ?
C141 C142 1.39(2) . ?
C143 C148 1.312(19) . ?
C143 C144 1.44(2) . ?
C144 C145 1.39(2) . ?
C145 C146 1.296(18) . ?
C146 C147 1.305(19) . ?
C147 C148 1.40(2) . ?
C149 C150 1.3900 . ?
C149 C184 1.3900 . ?
C150 C151 1.3900 . ?
C151 C152 1.3900 . ?
C152 C153 1.3900 . ?
C153 C184 1.3900 . ?
C155 C156 1.3900 . ?
C155 C160 1.3900 . ?
C156 C157 1.3900 . ?
C157 C158 1.3900 . ?
C158 C159 1.3900 . ?
C159 C160 1.3900 . ?
C166 C164 1.3900 . ?
C166 C161 1.3900 . ?
C164 C165 1.3900 . ?
C165 C163 1.3900 . ?
C163 C162 1.3900 . ?
C162 C161 1.3900 . ?
