#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/8/8000035.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_8000035
_publ_section_title
;
 Meso and Racemic Isomers of a New S-Bridged Diruthenium(II) Complex
 with Pendant Aminoalkyl Groups
;
_chemical_formula_sum 'C50 H55 Cl4 N13 O16 Ru2 S2'
loop_
_publ_author_name
 'Noriyuki Matsuura'
 'Asako Igashira-Kamiyama'
 'Tatsuya Kawamoto'
 'Takumi Konno'
_journal_name_full             'Chemistry Letters'
_journal_year                  2005
_journal_volume                34
_journal_page_first            1252
_cell_measurement_temperature  200(2)
_diffrn_ambient_temperature    200(2)
_cell_length_a       19.153(6)
_cell_length_b       12.397(4)
_cell_length_c       25.539(4)
_cell_angle_alpha    90.00
_cell_angle_beta     90.742(11)
_cell_angle_gamma    90.00
_cell_volume          6063.47
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 1 0.57173(2) 0.09827(3) 0.015615(15) 1 0.02633(12) Uani d . . .
Ru2 1 0.94017(2) 0.38289(3) 0.014252(15) 1 0.02629(12) Uani d . . .
S1 1 0.46359(7) 0.08578(10) -0.03327(5) 1 0.0282(3) Uani d . . .
S2 1 1.04405(7) 0.42718(10) -0.03363(4) 1 0.0271(3) Uani d . . .
N1 1 0.6547(2) 0.0903(4) 0.06837(16) 1 0.0330(10) Uani d . . .
N2 1 0.5278(2) 0.1607(4) 0.08258(16) 1 0.0314(10) Uani d . . .
N3 1 0.6318(2) 0.0598(4) -0.04813(15) 1 0.0282(9) Uani d . . .
N4 1 0.5977(2) 0.2488(4) -0.01267(16) 1 0.0332(10) Uani d . . .
N5 1 0.3985(3) 0.2623(5) -0.1089(2) 1 0.0533(14) Uani d D . .
N6 1 0.8610(2) 0.3654(4) 0.06684(17) 1 0.0339(10) Uani d . . .
N7 1 0.9940(2) 0.3255(3) 0.07867(16) 1 0.0319(10) Uani d . . .
N8 1 0.8767(2) 0.4099(3) -0.05093(16) 1 0.0298(10) Uani d . . .
N9 1 0.9221(2) 0.2270(4) -0.01227(17) 1 0.0321(10) Uani d . . .
N10 1 1.1397(3) 0.2917(4) -0.10343(19) 1 0.0421(12) Uani d D . .
C1 1 0.7198(3) 0.0564(5) 0.0586(2) 1 0.0420(14) Uani d . . .
H1 1 0.7322 0.0436 0.0233 1 0.050 Uiso calc R . .
C2 1 0.7699(3) 0.0391(6) 0.0974(3) 1 0.0529(17) Uani d . . .
H2 1 0.8154 0.0149 0.0887 1 0.063 Uiso calc R . .
C3 1 0.7526(3) 0.0577(6) 0.1485(3) 1 0.0547(17) Uani d . . .
H3 1 0.7856 0.0454 0.1759 1 0.066 Uiso calc R . .
C4 1 0.6871(4) 0.0942(5) 0.1593(2) 1 0.0450(15) Uani d . . .
H4 1 0.6745 0.1068 0.1946 1 0.054 Uiso calc R . .
C5 1 0.6388(3) 0.1132(4) 0.1194(2) 1 0.0334(12) Uani d . . .
C6 1 0.5690(3) 0.1584(4) 0.1263(2) 1 0.0340(12) Uani d . . .
C7 1 0.5461(3) 0.1977(5) 0.1738(2) 1 0.0434(15) Uani d . . .
H5 1 0.5754 0.1937 0.2040 1 0.052 Uiso calc R . .
C8 1 0.4800(4) 0.2430(6) 0.1768(2) 1 0.0516(17) Uani d . . .
H6 1 0.4629 0.2687 0.2092 1 0.062 Uiso calc R . .
C9 1 0.4397(3) 0.2502(5) 0.1319(2) 1 0.0460(15) Uani d . . .
H7 1 0.3948 0.2825 0.1328 1 0.055 Uiso calc R . .
C10 1 0.4652(3) 0.2099(5) 0.0858(2) 1 0.0374(13) Uani d . . .
H8 1 0.4376 0.2170 0.0549 1 0.045 Uiso calc R . .
C11 1 0.6547(3) -0.0384(4) -0.0611(2) 1 0.0335(12) Uani d . . .
H9 1 0.6448 -0.0973 -0.0386 1 0.040 Uiso calc R . .
C12 1 0.6920(3) -0.0572(5) -0.1057(2) 1 0.0429(14) Uani d . . .
H10 1 0.7075 -0.1281 -0.1137 1 0.051 Uiso calc R . .
C13 1 0.7068(3) 0.0263(5) -0.1387(2) 1 0.0434(14) Uani d . . .
H11 1 0.7298 0.0139 -0.1708 1 0.052 Uiso calc R . .
C14 1 0.6874(3) 0.1290(5) -0.1242(2) 1 0.0435(14) Uani d . . .
H12 1 0.6990 0.1889 -0.1455 1 0.052 Uiso calc R . .
C15 1 0.6510(3) 0.1446(5) -0.0786(2) 1 0.0358(12) Uani d . . .
C16 1 0.6324(3) 0.2501(5) -0.0581(2) 1 0.0349(12) Uani d . . .
C17 1 0.6526(3) 0.3475(5) -0.0809(3) 1 0.0481(15) Uani d . . .
H13 1 0.6776 0.3469 -0.1128 1 0.058 Uiso calc R . .
C18 1 0.6368(4) 0.4434(6) -0.0577(3) 1 0.0566(18) Uani d . . .
H14 1 0.6506 0.5097 -0.0732 1 0.068 Uiso calc R . .
C19 1 0.6008(4) 0.4426(5) -0.0118(3) 1 0.0532(17) Uani d . . .
H15 1 0.5895 0.5081 0.0055 1 0.064 Uiso calc R . .
C20 1 0.5813(3) 0.3449(5) 0.0086(2) 1 0.0453(15) Uani d . . .
H16 1 0.5546 0.3450 0.0397 1 0.054 Uiso calc R . .
C21 1 0.4778(3) 0.1072(5) -0.1030(2) 1 0.0359(13) Uani d . . .
H17 1 0.5172 0.1579 -0.1075 1 0.043 Uiso calc R . .
H18 1 0.4906 0.0379 -0.1195 1 0.043 Uiso calc R . .
C22 1 0.4140(3) 0.1519(5) -0.1298(2) 1 0.0438(15) Uani d D . .
H19 1 0.3737 0.1036 -0.1237 1 0.053 Uiso calc R . .
H20 1 0.4217 0.1559 -0.1680 1 0.053 Uiso calc R . .
C23 1 0.7922(3) 0.3857(5) 0.0567(2) 1 0.0414(14) Uani d . . .
H24 1 0.7776 0.4022 0.0219 1 0.050 Uiso calc R . .
C24 1 0.7441(4) 0.3827(6) 0.0956(3) 1 0.0556(17) Uani d . . .
H25 1 0.6965 0.3987 0.0880 1 0.067 Uiso calc R . .
C25 1 0.7643(4) 0.3564(6) 0.1459(3) 1 0.064(2) Uani d . . .
H26 1 0.7310 0.3539 0.1731 1 0.077 Uiso calc R . .
C26 1 0.8337(4) 0.3339(5) 0.1563(2) 1 0.0474(15) Uani d . . .
H27 1 0.8487 0.3160 0.1908 1 0.057 Uiso calc R . .
C27 1 0.8809(3) 0.3375(4) 0.1163(2) 1 0.0361(13) Uani d . . .
C28 1 0.9559(3) 0.3121(4) 0.1228(2) 1 0.0368(13) Uani d . . .
C29 1 0.9849(4) 0.2697(5) 0.1683(2) 1 0.0498(16) Uani d . . .
H28 1 0.9573 0.2616 0.1986 1 0.060 Uiso calc R . .
C30 1 1.0544(4) 0.2393(6) 0.1691(3) 1 0.0579(19) Uani d . . .
H29 1 1.0756 0.2128 0.2003 1 0.069 Uiso calc R . .
C31 1 1.0606(3) 0.2890(4) 0.0795(2) 1 0.0392(13) Uani d . . .
H31 1 1.0867 0.2914 0.0481 1 0.047 Uiso calc R . .
C32 1 1.0919(4) 0.2481(5) 0.1243(2) 1 0.0475(15) Uani d . . .
H30 1 1.1394 0.2263 0.1239 1 0.057 Uiso calc R . .
C33 1 0.8478(3) 0.5033(5) -0.0660(2) 1 0.0359(13) Uani d . . .
H32 1 0.8515 0.5634 -0.0431 1 0.043 Uiso calc R . .
C34 1 0.8129(3) 0.5170(6) -0.1133(2) 1 0.0477(16) Uani d . . .
H33 1 0.7915 0.5841 -0.1218 1 0.057 Uiso calc R . .
C35 1 0.8095(4) 0.4313(6) -0.1479(2) 1 0.0521(17) Uani d . . .
H34 1 0.7899 0.4401 -0.1820 1 0.063 Uiso calc R . .
C36 1 0.8357(3) 0.3311(6) -0.1314(2) 1 0.0472(16) Uani d . . .
H35 1 0.8320 0.2700 -0.1537 1 0.057 Uiso calc R . .
C37 1 0.8666(3) 0.3219(5) -0.0829(2) 1 0.0369(13) Uani d . . .
C38 1 0.8874(3) 0.2179(5) -0.0585(2) 1 0.0367(13) Uani d . . .
C39 1 0.8666(3) 0.1206(5) -0.0798(3) 1 0.0549(18) Uani d . . .
H36 1 0.8442 0.1174 -0.1132 1 0.066 Uiso calc R . .
C40 1 0.8795(4) 0.0279(6) -0.0511(3) 1 0.062(2) Uani d . . .
H37 1 0.8649 -0.0404 -0.0640 1 0.074 Uiso calc R . .
C41 1 0.9133(3) 0.0361(5) -0.0038(3) 1 0.0504(16) Uani d . . .
H38 1 0.9222 -0.0267 0.0165 1 0.060 Uiso calc R . .
C42 1 0.9342(3) 0.1344(5) 0.0140(2) 1 0.0415(14) Uani d . . .
H39 1 0.9586 0.1381 0.0466 1 0.050 Uiso calc R . .
C43 1 1.0323(3) 0.4018(5) -0.10426(19) 1 0.0336(12) Uani d . . .
H40 1 1.0017 0.3383 -0.1095 1 0.040 Uiso calc R . .
H41 1 1.0092 0.4648 -0.1208 1 0.040 Uiso calc R . .
C44 1 1.1013(3) 0.3820(5) -0.1301(2) 1 0.0378(13) Uani d D . .
H42 1 1.0933 0.3636 -0.1674 1 0.045 Uiso calc R . .
H43 1 1.1299 0.4485 -0.1285 1 0.045 Uiso calc R . .
H21 1 0.434(2) 0.291(4) -0.121(3) 1 0.20(7) Uiso d D . .
H22 1 0.390(3) 0.278(4) -0.0741(10) 1 0.09(3) Uiso d D . .
H23 1 0.3523(16) 0.274(4) -0.1264(18) 1 0.048(18) Uiso d D . .
H44 1 1.1747(17) 0.267(4) -0.1185(17) 1 0.06(2) Uiso d D . .
H45 1 1.156(3) 0.312(4) -0.0680(12) 1 0.09(3) Uiso d D . .
H46 1 1.1126(18) 0.231(2) -0.1019(17) 1 0.023(14) Uiso d D . .
N11 1 0.9698(5) -0.1764(7) -0.3163(3) 1 0.099(3) Uani d . . .
C45 1 0.8920(5) -0.0300(7) -0.2790(4) 1 0.085(3) Uani d . . .
H47 1 0.8874 0.0280 -0.3050 1 0.127 Uiso calc R . .
H48 1 0.9132 -0.0012 -0.2468 1 0.127 Uiso calc R . .
H49 1 0.8458 -0.0595 -0.2714 1 0.127 Uiso calc R . .
C46 1 0.9357(5) -0.1139(7) -0.2995(3) 1 0.065(2) Uani d . . .
N12 1 1.0730(5) 0.0057(6) -0.3815(3) 1 0.089(2) Uani d . . .
C47 1 1.0995(5) 0.0361(7) -0.2826(3) 1 0.085(3) Uani d . . .
H50 1 1.0644 -0.0020 -0.2621 1 0.127 Uiso calc R . .
H51 1 1.0980 0.1133 -0.2745 1 0.127 Uiso calc R . .
H52 1 1.1460 0.0077 -0.2740 1 0.127 Uiso calc R . .
C48 1 1.0848(5) 0.0201(7) -0.3387(4) 1 0.071(2) Uani d . . .
N13 1 1.0524(5) -0.4866(7) -0.2460(3) 1 0.106(3) Uani d . . .
C49 1 0.9186(6) -0.4746(12) -0.2574(5) 1 0.134(5) Uani d . . .
H53 1 0.9005 -0.4221 -0.2323 1 0.200 Uiso calc R . .
H54 1 0.8968 -0.5449 -0.2514 1 0.200 Uiso calc R . .
H55 1 0.9079 -0.4504 -0.2932 1 0.200 Uiso calc R . .
C50 1 0.9936(6) -0.4840(7) -0.2505(3) 1 0.073(2) Uani d . . .
Cl1 1 0.73156(16) -0.3145(3) 0.20996(12) 0.50 0.0383(7) Uiso d P A 1
O1 1 0.6662(3) -0.2905(5) 0.2274(2) 1 0.0844(17) Uiso d . . .
O2 1 0.7374(5) -0.2536(8) 0.1564(3) 0.50 0.045(2) Uiso d P A 1
O3 1 0.7776(7) -0.2240(11) 0.2381(5) 0.50 0.072(3) Uiso d P A 1
O4 1 0.7534(5) -0.4109(8) 0.2189(4) 0.50 0.061(3) Uiso d P A 1
Cl1B 1 0.7382(2) -0.2710(4) 0.21017(14) 0.50 0.0496(9) Uiso d P A 2
O2B 1 0.7299(5) -0.3130(9) 0.1550(4) 0.50 0.055(2) Uiso d P A 2
O3B 1 0.8009(9) -0.2712(13) 0.2282(6) 0.50 0.104(5) Uiso d P A 2
O4B 1 0.728(2) -0.159(3) 0.2152(14) 0.50 0.291(16) Uiso d P A 2
Cl2 1 1.03394(12) 0.07712(19) -0.14996(9) 1 0.0745(6) Uiso d . . .
O5 1 1.0366(3) 0.1216(5) -0.0979(2) 1 0.0749(15) Uiso d . B .
O6 1 1.1042(6) 0.1035(9) -0.1692(4) 0.50 0.070(3) Uiso d P B 1
O7 1 1.0291(11) -0.0349(16) -0.1382(8) 0.50 0.147(6) Uiso d P B 1
O8 1 0.9894(8) 0.1315(11) -0.1787(5) 0.50 0.089(4) Uiso d P B 1
O6B 1 1.0756(10) -0.0152(14) -0.1631(6) 0.50 0.120(5) Uiso d P B 2
O7B 1 0.9660(8) 0.0389(12) -0.1665(5) 0.50 0.104(4) Uiso d P B 2
O8B 1 1.0457(10) 0.1604(14) -0.1884(7) 0.50 0.127(5) Uiso d P B 2
Cl3 1 0.73089(8) -0.28563(13) 0.00095(6) 1 0.0448(4) Uiso d . . .
O9 1 0.7558(3) -0.3810(4) 0.0266(2) 1 0.0630(13) Uiso d . C .
O10 1 0.7552(8) -0.1922(12) 0.0264(6) 0.50 0.095(4) Uiso d P C 1
O11 1 0.7520(7) -0.2799(10) -0.0513(5) 0.50 0.085(3) Uiso d P C 1
O12 1 0.6552(5) -0.2994(7) -0.0005(3) 0.50 0.051(2) Uiso d P C 1
O10B 1 0.7886(9) -0.2457(13) -0.0241(6) 0.50 0.116(5) Uiso d P C 2
O11B 1 0.6850(9) -0.2977(13) -0.0391(6) 0.50 0.120(5) Uiso d P C 2
O12B 1 0.7209(6) -0.1979(9) 0.0375(4) 0.50 0.062(3) Uiso d P C 2
Cl4 1 0.73354(9) -0.27145(14) -0.23018(6) 1 0.0496(4) Uiso d . . .
O13 1 0.6949(7) -0.3331(11) -0.2677(5) 0.50 0.088(4) Uiso d P D 1
O14 1 0.6909(9) -0.1738(13) -0.2331(6) 0.50 0.111(5) Uiso d P D 1
O15 1 0.7463(9) -0.2658(14) -0.1764(6) 0.50 0.113(5) Uiso d P D 1
O16 1 0.7887(8) -0.2362(12) -0.2619(6) 0.50 0.103(4) Uiso d P D 1
O13B 1 0.7178(5) -0.3191(9) -0.1803(4) 0.50 0.057(2) Uiso d P D 2
O14B 1 0.6652(7) -0.2523(11) -0.2473(5) 0.50 0.086(3) Uiso d P D 2
O15B 1 0.7639(12) -0.1825(18) -0.2221(8) 0.50 0.157(7) Uiso d P D 2
O16B 1 0.7751(14) -0.357(2) -0.2423(9) 0.50 0.192(9) Uiso d P D 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0280(2) 0.0281(2) 0.0229(2) 0.00071(16) -0.00003(15) 0.00216(17)
Ru2 0.0291(2) 0.0271(2) 0.0225(2) -0.00033(16) -0.00146(16) 0.00204(17)
S1 0.0309(7) 0.0294(7) 0.0243(6) 0.0023(5) -0.0006(5) 0.0041(5)
S2 0.0301(7) 0.0295(7) 0.0218(6) -0.0013(5) -0.0007(5) 0.0043(5)
N1 0.034(2) 0.038(3) 0.028(2) -0.0024(19) -0.0016(18) 0.001(2)
N2 0.035(3) 0.031(2) 0.028(2) -0.0012(18) -0.0005(18) 0.0001(19)
N3 0.029(2) 0.033(2) 0.023(2) 0.0017(17) -0.0005(17) -0.0013(18)
N4 0.037(3) 0.035(3) 0.027(2) -0.0012(19) -0.0034(19) 0.001(2)
N5 0.057(4) 0.047(3) 0.056(4) 0.007(3) -0.009(3) 0.016(3)
N6 0.041(3) 0.027(2) 0.033(2) -0.0032(18) 0.006(2) 0.000(2)
N7 0.042(3) 0.027(2) 0.027(2) 0.0012(18) -0.0034(19) -0.004(2)
N8 0.027(2) 0.035(3) 0.027(2) -0.0004(18) -0.0021(17) 0.0037(18)
N9 0.029(2) 0.032(3) 0.034(2) -0.0057(19) -0.0006(19) 0.0003(19)
N10 0.041(3) 0.044(3) 0.041(3) -0.011(2) 0.004(2) 0.012(3)
C1 0.033(3) 0.056(4) 0.038(3) -0.003(3) -0.002(2) 0.001(3)
C2 0.038(4) 0.066(5) 0.055(4) -0.008(3) -0.010(3) 0.005(3)
C3 0.043(4) 0.062(5) 0.059(4) 0.000(3) -0.016(3) 0.001(3)
C4 0.057(4) 0.048(4) 0.029(3) -0.004(3) -0.009(3) -0.004(3)
C5 0.037(3) 0.032(3) 0.032(3) 0.001(2) -0.002(2) -0.001(2)
C6 0.040(3) 0.028(3) 0.034(3) 0.001(2) -0.003(2) -0.004(2)
C7 0.058(4) 0.050(4) 0.022(3) -0.005(2) -0.001(3) -0.007(3)
C8 0.059(4) 0.060(4) 0.037(3) -0.011(3) 0.013(3) -0.005(3)
C9 0.042(3) 0.046(4) 0.050(4) -0.015(3) 0.011(3) 0.002(3)
C10 0.038(3) 0.040(3) 0.035(3) -0.007(2) 0.002(2) 0.001(3)
C11 0.037(3) 0.032(3) 0.032(3) 0.002(2) 0.000(2) 0.002(2)
C12 0.038(3) 0.045(4) 0.046(3) -0.009(3) 0.013(3) 0.003(3)
C13 0.042(3) 0.051(4) 0.038(3) -0.008(3) 0.012(3) -0.002(3)
C14 0.049(4) 0.052(4) 0.030(3) 0.006(3) 0.007(3) -0.005(3)
C15 0.035(3) 0.039(3) 0.033(3) 0.004(2) 0.003(2) -0.001(2)
C16 0.036(3) 0.036(3) 0.032(3) 0.003(2) -0.001(2) -0.005(2)
C17 0.054(4) 0.040(4) 0.051(4) 0.008(3) 0.011(3) -0.010(3)
C18 0.069(5) 0.043(4) 0.059(4) 0.012(3) -0.004(4) -0.017(3)
C19 0.070(5) 0.035(4) 0.054(4) -0.005(3) -0.003(3) 0.002(3)
C20 0.052(4) 0.038(3) 0.046(3) -0.002(3) 0.007(3) -0.003(3)
C21 0.038(3) 0.041(3) 0.028(3) 0.008(2) 0.001(2) -0.001(3)
C22 0.057(4) 0.043(4) 0.031(3) 0.005(3) -0.008(3) -0.002(3)
C23 0.038(3) 0.047(4) 0.040(3) 0.001(3) 0.006(3) 0.003(3)
C24 0.044(4) 0.061(5) 0.062(4) 0.003(3) 0.014(3) 0.004(3)
C25 0.068(5) 0.067(5) 0.060(4) 0.000(4) 0.034(4) -0.005(4)
C26 0.058(4) 0.053(4) 0.032(3) 0.008(3) 0.005(3) -0.008(3)
C27 0.051(4) 0.029(3) 0.028(3) 0.000(2) 0.004(2) -0.003(3)
C28 0.053(4) 0.028(3) 0.029(3) -0.004(2) -0.006(2) -0.006(3)
C29 0.068(5) 0.046(4) 0.035(3) 0.012(3) -0.006(3) 0.000(3)
C30 0.074(5) 0.051(4) 0.047(4) 0.011(3) -0.021(4) 0.000(4)
C31 0.042(3) 0.031(3) 0.044(3) 0.007(2) -0.007(3) 0.001(3)
C32 0.048(4) 0.045(4) 0.050(4) 0.006(3) -0.009(3) 0.005(3)
C33 0.039(3) 0.035(3) 0.034(3) 0.000(2) -0.004(2) 0.003(2)
C34 0.045(4) 0.059(4) 0.039(3) 0.012(3) -0.015(3) -0.002(3)
C35 0.053(4) 0.076(5) 0.027(3) 0.001(3) -0.015(3) -0.009(4)
C36 0.042(4) 0.063(4) 0.036(3) -0.007(3) -0.006(3) -0.007(3)
C37 0.032(3) 0.041(3) 0.037(3) -0.008(2) -0.006(2) -0.002(2)
C38 0.030(3) 0.036(3) 0.045(3) -0.010(2) -0.002(2) 0.000(2)
C39 0.043(4) 0.043(4) 0.078(5) -0.021(3) -0.018(3) 0.000(3)
C40 0.046(4) 0.045(4) 0.094(6) -0.022(4) -0.013(4) -0.002(3)
C41 0.043(4) 0.028(3) 0.081(5) 0.004(3) 0.007(3) 0.002(3)
C42 0.040(3) 0.033(3) 0.052(4) -0.003(3) 0.008(3) 0.002(3)
C43 0.040(3) 0.039(3) 0.021(2) -0.007(2) -0.005(2) 0.007(2)
C44 0.049(4) 0.038(3) 0.027(3) -0.004(2) 0.006(2) 0.001(3)
N11 0.108(7) 0.095(6) 0.095(6) -0.016(5) 0.009(5) 0.019(5)
C45 0.088(7) 0.079(6) 0.087(6) -0.001(5) -0.002(5) 0.013(5)
C46 0.080(6) 0.062(5) 0.054(4) -0.001(4) 0.000(4) 0.008(4)
N12 0.133(7) 0.079(5) 0.056(4) -0.004(4) 0.021(4) 0.008(5)
C47 0.111(8) 0.068(6) 0.075(6) -0.001(4) -0.010(5) -0.002(5)
C48 0.084(6) 0.056(5) 0.074(5) 0.011(4) 0.021(5) 0.000(4)
N13 0.097(7) 0.107(7) 0.112(7) -0.035(5) -0.017(6) 0.012(6)
C49 0.109(10) 0.187(14) 0.105(9) -0.045(9) 0.001(7) -0.038(9)
C50 0.085(7) 0.081(6) 0.052(4) -0.005(4) -0.007(4) -0.002(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ru1 N3 2.062(4)
Ru1 N4 2.065(5)
Ru1 N2 2.066(4)
Ru1 N1 2.073(4)
Ru1 S1 2.4096(14)
Ru1 S1 2.4238(15)
Ru2 N6 2.050(5)
Ru2 N7 2.057(4)
Ru2 N9 2.075(4)
Ru2 N8 2.076(4)
Ru2 S2 2.4122(14)
Ru2 S2 2.4240(15)
S1 C21 1.824(5)
S1 Ru1 2.4238(15)
S2 C43 1.842(5)
S2 Ru2 2.4240(15)
N1 C1 1.341(7)
N1 C5 1.372(7)
N2 C10 1.348(7)
N2 C6 1.358(7)
N3 C11 1.336(7)
N3 C15 1.361(7)
N4 C16 1.346(7)
N4 C20 1.349(7)
N5 C22 1.501(8)
N5 H21 0.832(18)
N5 H22 0.927(18)
N5 H23 0.996(18)
N6 C27 1.359(7)
N6 C23 1.362(7)
N7 C31 1.353(7)
N7 C28 1.361(7)
N8 C33 1.338(7)
N8 C37 1.376(7)
N9 C42 1.348(7)
N9 C38 1.351(7)
N10 C44 1.500(7)
N10 H44 0.834(18)
N10 H45 0.986(18)
N10 H46 0.915(18)
C1 C2 1.388(8)
C2 C3 1.369(9)
C3 C4 1.365(9)
C4 C5 1.389(8)
C5 C6 1.462(8)
C6 C7 1.384(8)
C7 C8 1.388(9)
C8 C9 1.375(9)
C9 C10 1.375(8)
C11 C12 1.373(8)
C12 C13 1.366(8)
C13 C14 1.379(9)
C14 C15 1.378(8)
C15 C16 1.453(8)
C16 C17 1.396(8)
C17 C18 1.364(10)
C18 C19 1.369(10)
C19 C20 1.372(9)
C21 C22 1.499(8)
C23 C24 1.366(9)
C24 C25 1.375(10)
C25 C26 1.380(10)
C26 C27 1.373(8)
C27 C28 1.478(8)
C28 C29 1.384(8)
C29 C30 1.383(10)
C30 C32 1.363(10)
C31 C32 1.381(8)
C33 C34 1.382(7)
C34 C35 1.383(9)
C35 C36 1.402(10)
C36 C37 1.368(8)
C37 C38 1.486(8)
C38 C39 1.380(8)
C39 C40 1.384(10)
C40 C41 1.367(10)
C41 C42 1.359(8)
C43 C44 1.504(8)
N11 C46 1.104(10)
C45 C46 1.437(12)
N12 C48 1.128(10)
C47 C48 1.469(12)
N13 C50 1.132(11)
C49 C50 1.449(15)
Cl1 O4 1.285(10)
Cl1 O1 1.367(7)
Cl1 O2 1.566(9)
Cl1 O3 1.591(12)
O1 Cl1B 1.473(7)
Cl1B O3B 1.279(16)
Cl1B O4B 1.41(4)
Cl1B O2B 1.509(10)
Cl2 O8 1.305(13)
Cl2 O7 1.42(2)
Cl2 O6B 1.437(17)
Cl2 O5 1.440(6)
Cl2 O7B 1.444(15)
Cl2 O8B 1.445(18)
Cl2 O6 1.475(11)
Cl3 O11B 1.348(16)
Cl3 O10B 1.376(16)
Cl3 O11 1.400(13)
Cl3 O10 1.403(15)
Cl3 O9 1.430(5)
Cl3 O12B 1.447(11)
Cl3 O12 1.459(9)
Cl4 O15B 1.26(2)
Cl4 O16B 1.37(3)
Cl4 O15 1.394(16)
Cl4 O14B 1.395(13)
Cl4 O16 1.409(15)
Cl4 O13 1.425(12)
Cl4 O13B 1.440(10)
Cl4 O14 1.461(16)