#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/4/4060528.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_4060528
_journal_name_full  'Organometallics'
_journal_year       2005
_publ_section_title
;
Post-Metallation Ligand Modification
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_publ_author_name
  'Ren, Tong'
_chemical_formula_sum 'C68 H73 I N8 O6 Ru2 Si2'
_chemical_formula_weight  1483.56
_symmetry_cell_setting  Monoclinic
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'
_cell_length_a  21.2595(7)
_cell_length_b  10.4058(4)
_cell_length_c  33.1698(11)
_cell_angle_alpha  90.00
_cell_angle_beta  107.8110(10)
_cell_angle_gamma  90.00
_cell_volume  6986.2(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  300(2)
_exptl_crystal_density_diffrn  1.411
_diffrn_ambient_temperature  300(2)
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 0.380645(19) 0.09475(3) 0.121074(12) 0.03685(10) Uani 1 1 d . . .
Ru2 Ru 0.255651(19) 0.13083(3) 0.097948(12) 0.03559(10) Uani 1 1 d . . .
C1 C 0.4704(3) 0.0632(4) 0.11980(14) 0.0431(12) Uani 1 1 d . . .
C2 C 0.5270(3) 0.0422(5) 0.12084(16) 0.0492(13) Uani 1 1 d . . .
C3 C 0.5919(3) 0.0067(5) 0.12598(17) 0.0575(15) Uani 1 1 d . . .
C4 C 0.6472(3) -0.0277(6) 0.1313(2) 0.0778(19) Uani 1 1 d . . .
C5 C 0.7851(3) 0.0191(7) 0.1846(3) 0.139(3) Uani 1 1 d . . .
H5A H 0.7855 0.1016 0.1717 0.208 Uiso 1 1 calc R . .
H5B H 0.8292 -0.0148 0.1940 0.208 Uiso 1 1 calc R . .
H5C H 0.7686 0.0282 0.2083 0.208 Uiso 1 1 calc R . .
C6 C 0.7588(4) -0.1047(8) 0.0984(3) 0.162(4) Uani 1 1 d . . .
H6A H 0.7595 -0.0208 0.0865 0.243 Uiso 1 1 calc R . .
H6B H 0.7290 -0.1590 0.0778 0.243 Uiso 1 1 calc R . .
H6C H 0.8024 -0.1410 0.1062 0.243 Uiso 1 1 calc R . .
C7 C 0.7297(4) -0.2537(6) 0.1699(3) 0.140(3) Uani 1 1 d . . .
H7A H 0.7157 -0.2446 0.1947 0.211 Uiso 1 1 calc R . .
H7B H 0.7731 -0.2906 0.1777 0.211 Uiso 1 1 calc R . .
H7C H 0.6994 -0.3087 0.1499 0.211 Uiso 1 1 calc R . .
C8 C 0.1655(2) 0.1721(4) 0.09693(14) 0.0394(11) Uani 1 1 d . . .
C9 C 0.1105(3) 0.2020(4) 0.09646(15) 0.0423(12) Uani 1 1 d . . .
C10 C 0.0493(3) 0.2383(5) 0.09874(15) 0.0504(13) Uani 1 1 d . . .
C11 C -0.0036(3) 0.2715(5) 0.10155(18) 0.0670(16) Uani 1 1 d . . .
C12 C -0.0762(4) 0.3285(10) 0.1639(3) 0.201(5) Uani 1 1 d . . .
H12A H -0.0654 0.2452 0.1765 0.302 Uiso 1 1 calc R . .
H12B H -0.1176 0.3565 0.1669 0.302 Uiso 1 1 calc R . .
H12C H -0.0422 0.3886 0.1777 0.302 Uiso 1 1 calc R . .
C13 C -0.1049(5) 0.4830(8) 0.0846(3) 0.201(5) Uani 1 1 d . . .
H13A H -0.0717 0.5431 0.0996 0.302 Uiso 1 1 calc R . .
H13B H -0.1469 0.5080 0.0872 0.302 Uiso 1 1 calc R . .
H13C H -0.1072 0.4824 0.0552 0.302 Uiso 1 1 calc R . .
C14 C -0.1455(3) 0.2021(8) 0.0795(2) 0.139(3) Uani 1 1 d . . .
H14A H -0.1335 0.1187 0.0919 0.208 Uiso 1 1 calc R . .
H14B H -0.1479 0.1996 0.0502 0.208 Uiso 1 1 calc R . .
H14C H -0.1877 0.2264 0.0820 0.208 Uiso 1 1 calc R . .
C15 C 0.3216(3) 0.2952(4) 0.05455(15) 0.0383(12) Uani 1 1 d . . .
C16 C 0.4361(3) 0.3303(5) 0.08984(18) 0.0677(16) Uani 1 1 d . . .
H16A H 0.4273 0.4022 0.0708 0.102 Uiso 1 1 calc R . .
H16B H 0.4693 0.2767 0.0843 0.102 Uiso 1 1 calc R . .
H16C H 0.4516 0.3609 0.1185 0.102 Uiso 1 1 calc R . .
C17 C 0.2057(3) 0.2722(5) 0.01543(18) 0.0651(16) Uani 1 1 d . . .
H17A H 0.2182 0.3315 -0.0030 0.098 Uiso 1 1 calc R . .
H17B H 0.1703 0.3082 0.0240 0.098 Uiso 1 1 calc R . .
H17C H 0.1915 0.1929 0.0007 0.098 Uiso 1 1 calc R . .
C18 C 0.3263(2) 0.3894(4) 0.02066(15) 0.0425(12) Uani 1 1 d . . .
C19 C 0.3509(3) 0.3475(5) -0.01067(18) 0.0651(17) Uani 1 1 d . . .
H19A H 0.3668 0.2640 -0.0098 0.078 Uiso 1 1 calc R . .
C20 C 0.3523(3) 0.4282(5) -0.04384(19) 0.0767(19) Uani 1 1 d . . .
H20A H 0.3681 0.3980 -0.0653 0.092 Uiso 1 1 calc R . .
C21 C 0.3305(3) 0.5508(5) -0.04483(17) 0.0585(15) Uani 1 1 d . . .
C22 C 0.3069(3) 0.5944(5) -0.01355(18) 0.0763(19) Uani 1 1 d . . .
H22A H 0.2922 0.6787 -0.0141 0.092 Uiso 1 1 calc R . .
C23 C 0.3047(3) 0.5128(5) 0.01928(18) 0.0737(19) Uani 1 1 d . . .
H23A H 0.2883 0.5430 0.0405 0.088 Uiso 1 1 calc R . .
C24 C 0.2903(3) -0.0608(4) 0.04849(15) 0.0422(12) Uani 1 1 d . . .
H24A H 0.2840 -0.1237 0.0277 0.051 Uiso 1 1 calc R . .
C25 C 0.3963(2) -0.0856(4) 0.04829(16) 0.0455(12) Uani 1 1 d . . .
C26 C 0.4357(2) -0.1848(4) 0.07016(17) 0.0526(14) Uani 1 1 d . . .
H26A H 0.4347 -0.2077 0.0971 0.063 Uiso 1 1 calc R . .
C27 C 0.4767(3) -0.2497(6) 0.0514(2) 0.0677(17) Uani 1 1 d . . .
C28 C 0.4778(3) -0.2127(7) 0.0116(2) 0.081(2) Uani 1 1 d . . .
H28A H 0.5056 -0.2553 -0.0008 0.097 Uiso 1 1 calc R . .
C29 C 0.4393(3) -0.1155(6) -0.0096(2) 0.0805(19) Uani 1 1 d . . .
H29A H 0.4403 -0.0930 -0.0366 0.097 Uiso 1 1 calc R . .
C30 C 0.3980(3) -0.0490(5) 0.00888(17) 0.0604(15) Uani 1 1 d . . .
H30A H 0.3720 0.0188 -0.0053 0.072 Uiso 1 1 calc R . .
C31 C 0.5315(3) -0.3648(6) 0.1151(2) 0.089(2) Uani 1 1 d . . .
H31A H 0.5605 -0.4369 0.1243 0.133 Uiso 1 1 calc R . .
H31B H 0.4911 -0.3799 0.1216 0.133 Uiso 1 1 calc R . .
H31C H 0.5524 -0.2887 0.1294 0.133 Uiso 1 1 calc R . .
C32 C 0.1784(2) -0.0923(4) 0.04088(14) 0.0389(11) Uani 1 1 d . . .
C33 C 0.1835(2) -0.2243(4) 0.04776(15) 0.0446(12) Uani 1 1 d . . .
H33A H 0.2240 -0.2598 0.0627 0.054 Uiso 1 1 calc R . .
C34 C 0.1294(3) -0.3032(4) 0.03273(16) 0.0480(13) Uani 1 1 d . . .
C35 C 0.0688(3) -0.2512(5) 0.01034(17) 0.0560(14) Uani 1 1 d . . .
H35A H 0.0319 -0.3036 0.0000 0.067 Uiso 1 1 calc R . .
C36 C 0.0642(2) -0.1216(5) 0.00383(16) 0.0567(14) Uani 1 1 d . . .
H36A H 0.0237 -0.0868 -0.0117 0.068 Uiso 1 1 calc R . .
C37 C 0.1176(3) -0.0397(5) 0.01943(16) 0.0527(14) Uani 1 1 d . . .
H37A H 0.1127 0.0486 0.0156 0.063 Uiso 1 1 calc R . .
C38 C 0.0871(3) -0.5077(5) 0.0430(2) 0.113(3) Uani 1 1 d . . .
H38A H 0.1017 -0.5949 0.0491 0.170 Uiso 1 1 calc R . .
H38B H 0.0528 -0.5043 0.0163 0.170 Uiso 1 1 calc R . .
H38C H 0.0704 -0.4762 0.0650 0.170 Uiso 1 1 calc R . .
C39 C 0.3157(2) -0.0692(4) 0.16563(15) 0.0427(12) Uani 1 1 d . . .
H39A H 0.3130 -0.1290 0.1859 0.051 Uiso 1 1 calc R . .
C40 C 0.4199(3) -0.1595(4) 0.17633(15) 0.0414(12) Uani 1 1 d . . .
C41 C 0.4853(2) -0.1302(5) 0.19718(15) 0.0475(12) Uani 1 1 d . . .
H41A H 0.4999 -0.0456 0.1987 0.057 Uiso 1 1 calc R . .
C42 C 0.5287(3) -0.2276(5) 0.21580(17) 0.0564(14) Uani 1 1 d . . .
C43 C 0.6193(3) -0.0835(7) 0.2410(2) 0.094(2) Uani 1 1 d . . .
H43A H 0.6656 -0.0850 0.2564 0.141 Uiso 1 1 calc R . .
H43B H 0.5964 -0.0322 0.2560 0.141 Uiso 1 1 calc R . .
H43C H 0.6131 -0.0473 0.2134 0.141 Uiso 1 1 calc R . .
C44 C 0.5074(3) -0.3530(6) 0.2144(2) 0.0731(18) Uani 1 1 d . . .
H44A H 0.5367 -0.4177 0.2275 0.088 Uiso 1 1 calc R . .
C45 C 0.4436(3) -0.3816(5) 0.1938(2) 0.0694(18) Uani 1 1 d . . .
H45A H 0.4295 -0.4663 0.1931 0.083 Uiso 1 1 calc R . .
C46 C 0.3987(3) -0.2873(4) 0.17372(17) 0.0556(15) Uani 1 1 d . . .
H46A H 0.3554 -0.3088 0.1588 0.067 Uiso 1 1 calc R . .
C47 C 0.2121(2) -0.0164(4) 0.16835(16) 0.0409(12) Uani 1 1 d . . .
C48 C 0.2269(3) 0.0122(4) 0.21092(16) 0.0509(13) Uani 1 1 d . . .
H48A H 0.2690 0.0405 0.2261 0.061 Uiso 1 1 calc R . .
C49 C 0.1783(3) -0.0019(5) 0.23085(18) 0.0615(16) Uani 1 1 d . . .
H49A H 0.1882 0.0167 0.2595 0.074 Uiso 1 1 calc R . .
C50 C 0.1166(3) -0.0425(5) 0.20873(19) 0.0621(16) Uani 1 1 d . . .
H50A H 0.0842 -0.0499 0.2221 0.075 Uiso 1 1 calc R . .
C51 C 0.1022(3) -0.0726(5) 0.16633(19) 0.0560(14) Uani 1 1 d . . .
C52 C 0.0199(3) -0.1332(8) 0.1040(3) 0.124(3) Uani 1 1 d . . .
H52A H -0.0252 -0.1617 0.0947 0.186 Uiso 1 1 calc R . .
H52B H 0.0476 -0.1973 0.0973 0.186 Uiso 1 1 calc R . .
H52C H 0.0237 -0.0542 0.0900 0.186 Uiso 1 1 calc R . .
C53 C 0.1501(3) -0.0615(4) 0.14598(17) 0.0480(13) Uani 1 1 d . . .
H53A H 0.1406 -0.0841 0.1176 0.058 Uiso 1 1 calc R . .
C54 C 0.3451(2) 0.2776(4) 0.17324(15) 0.0411(12) Uani 1 1 d . . .
H54A H 0.3506 0.3331 0.1960 0.049 Uiso 1 1 calc R . .
C55 C 0.4518(3) 0.2069(4) 0.20999(16) 0.0440(12) Uani 1 1 d . . .
C56 C 0.5138(3) 0.2402(5) 0.20775(18) 0.0569(14) Uani 1 1 d . . .
H56A H 0.5196 0.2597 0.1817 0.068 Uiso 1 1 calc R . .
C57 C 0.5663(3) 0.2443(6) 0.2437(2) 0.0696(17) Uani 1 1 d . . .
C58 C 0.6418(3) 0.3028(8) 0.2069(2) 0.127(3) Uani 1 1 d . . .
H58A H 0.6879 0.3210 0.2123 0.191 Uiso 1 1 calc R . .
H58B H 0.6162 0.3765 0.1942 0.191 Uiso 1 1 calc R . .
H58C H 0.6296 0.2308 0.1880 0.191 Uiso 1 1 calc R . .
C59 C 0.5580(3) 0.2142(6) 0.28236(19) 0.0818(19) Uani 1 1 d . . .
H59A H 0.5937 0.2171 0.3070 0.098 Uiso 1 1 calc R . .
C60 C 0.4961(3) 0.1799(5) 0.28393(19) 0.0714(17) Uani 1 1 d . . .
H60A H 0.4904 0.1594 0.3099 0.086 Uiso 1 1 calc R . .
C61 C 0.4430(3) 0.1754(5) 0.24805(17) 0.0568(14) Uani 1 1 d . . .
H61A H 0.4016 0.1514 0.2494 0.068 Uiso 1 1 calc R . .
C62 C 0.2439(2) 0.3765(4) 0.15115(14) 0.0415(11) Uani 1 1 d . . .
C63 C 0.2498(3) 0.4977(4) 0.13596(16) 0.0524(14) Uani 1 1 d . . .
H63A H 0.2779 0.5131 0.1198 0.063 Uiso 1 1 calc R . .
C64 C 0.2124(3) 0.5968(4) 0.14550(17) 0.0622(15) Uani 1 1 d . . .
H64A H 0.2164 0.6795 0.1359 0.075 Uiso 1 1 calc R . .
C65 C 0.1705(3) 0.5751(5) 0.16837(17) 0.0587(15) Uani 1 1 d . . .
H65A H 0.1457 0.6422 0.1742 0.070 Uiso 1 1 calc R . .
C66 C 0.1647(2) 0.4527(5) 0.18297(16) 0.0498(13) Uani 1 1 d . . .
C67 C 0.1105(3) 0.3141(5) 0.21886(17) 0.0710(17) Uani 1 1 d . . .
H67A H 0.0793 0.3174 0.2345 0.106 Uiso 1 1 calc R . .
H67B H 0.1515 0.2793 0.2365 0.106 Uiso 1 1 calc R . .
H67C H 0.0935 0.2605 0.1944 0.106 Uiso 1 1 calc R . .
C68 C 0.2021(2) 0.3533(4) 0.17494(14) 0.0454(12) Uani 1 1 d . . .
H68A H 0.1991 0.2715 0.1855 0.054 Uiso 1 1 calc R . .
O1 O 0.5174(2) -0.3486(4) 0.07076(15) 0.0957(14) Uani 1 1 d . . .
O2 O 0.14062(18) -0.4310(3) 0.04107(13) 0.0735(12) Uani 1 1 d . . .
O3 O 0.5942(2) -0.2101(4) 0.23674(13) 0.0801(12) Uani 1 1 d . . .
O4 O 0.0392(2) -0.1138(4) 0.14682(15) 0.0867(13) Uani 1 1 d . . .
O5 O 0.6297(2) 0.2733(5) 0.24536(15) 0.1100(16) Uani 1 1 d . . .
O6 O 0.12124(19) 0.4401(3) 0.20582(12) 0.0690(11) Uani 1 1 d . . .
N1 N 0.37510(19) 0.2554(3) 0.08369(12) 0.0405(10) Uani 1 1 d . . .
N2 N 0.26226(19) 0.2480(3) 0.05272(12) 0.0402(10) Uani 1 1 d . . .
N3 N 0.35125(19) -0.0237(3) 0.06728(12) 0.0380(9) Uani 1 1 d . . .
N4 N 0.23656(18) -0.0157(3) 0.05670(11) 0.0376(9) Uani 1 1 d . . .
N5 N 0.37314(19) -0.0601(3) 0.15751(11) 0.0392(9) Uani 1 1 d . . .
N6 N 0.26225(18) -0.0007(3) 0.14750(12) 0.0376(9) Uani 1 1 d . . .
N7 N 0.39698(18) 0.2065(3) 0.17232(12) 0.0379(9) Uani 1 1 d . . .
N8 N 0.28674(19) 0.2748(3) 0.14421(12) 0.0378(9) Uani 1 1 d . . .
Si1 Si 0.73121(9) -0.0918(2) 0.14546(7) 0.0983(7) Uani 1 1 d . . .
Si2 Si -0.08315(9) 0.3195(2) 0.10721(7) 0.0981(7) Uani 1 1 d . . .
I1 I 0.33208(3) 0.67262(4) -0.094696(15) 0.09629(18) Uani 1 1 d . . .
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 0.0359(2) 0.0405(2) 0.0346(2) -0.00079(17) 0.01130(18) -0.00090(18)
Ru2 0.0364(2) 0.03711(19) 0.0337(2) -0.00124(17) 0.01132(18) 0.00065(18)
C1 0.048(3) 0.047(3) 0.035(3) 0.001(2) 0.013(3) -0.003(2)
C2 0.040(3) 0.061(3) 0.047(4) 0.009(3) 0.013(3) 0.002(3)
C3 0.045(4) 0.074(4) 0.053(4) 0.014(3) 0.014(3) -0.004(3)
C4 0.048(4) 0.107(5) 0.078(5) 0.021(4) 0.019(4) 0.014(4)
C5 0.084(6) 0.136(7) 0.165(9) -0.009(6) -0.009(6) 0.002(5)
C6 0.101(7) 0.193(9) 0.222(11) -0.038(8) 0.095(8) -0.003(6)
C7 0.100(6) 0.103(6) 0.178(9) 0.009(6) -0.019(6) 0.011(5)
C8 0.046(3) 0.038(2) 0.036(3) -0.004(2) 0.015(3) -0.002(2)
C9 0.042(3) 0.047(3) 0.039(3) -0.001(2) 0.013(3) 0.003(2)
C10 0.047(4) 0.069(3) 0.037(3) -0.003(3) 0.015(3) -0.002(3)
C11 0.057(4) 0.091(4) 0.057(4) -0.009(3) 0.024(3) 0.003(3)
C12 0.109(7) 0.417(16) 0.093(7) -0.072(9) 0.053(6) -0.018(9)
C13 0.164(10) 0.173(9) 0.280(14) 0.029(9) 0.087(10) 0.105(8)
C14 0.060(5) 0.229(9) 0.141(8) -0.049(7) 0.052(5) -0.028(6)
C15 0.048(3) 0.031(2) 0.039(3) 0.003(2) 0.017(3) 0.001(2)
C16 0.052(4) 0.068(3) 0.078(5) 0.023(3) 0.012(3) -0.013(3)
C17 0.053(4) 0.077(4) 0.065(4) 0.024(3) 0.017(3) 0.003(3)
C18 0.043(3) 0.046(3) 0.039(3) 0.006(2) 0.014(2) 0.004(2)
C19 0.083(4) 0.057(3) 0.069(4) 0.020(3) 0.044(4) 0.028(3)
C20 0.096(5) 0.077(4) 0.081(5) 0.027(3) 0.063(4) 0.031(4)
C21 0.064(4) 0.063(3) 0.053(4) 0.017(3) 0.025(3) -0.001(3)
C22 0.138(6) 0.041(3) 0.061(4) 0.008(3) 0.047(4) 0.013(3)
C23 0.132(6) 0.047(3) 0.061(4) 0.004(3) 0.059(4) 0.012(3)
C24 0.048(3) 0.038(3) 0.042(3) -0.006(2) 0.015(3) 0.004(2)
C25 0.042(3) 0.053(3) 0.042(3) -0.008(3) 0.014(3) -0.006(3)
C26 0.054(4) 0.061(3) 0.046(4) -0.005(3) 0.019(3) 0.006(3)
C27 0.055(4) 0.089(4) 0.065(5) -0.015(3) 0.027(4) 0.013(3)
C28 0.064(5) 0.121(5) 0.069(5) -0.023(4) 0.036(4) 0.014(4)
C29 0.077(5) 0.121(5) 0.053(4) -0.004(4) 0.035(4) 0.005(4)
C30 0.058(4) 0.073(4) 0.053(4) -0.004(3) 0.021(3) 0.007(3)
C31 0.093(5) 0.088(4) 0.088(6) 0.009(4) 0.031(5) 0.027(4)
C32 0.039(3) 0.045(3) 0.032(3) -0.007(2) 0.010(2) -0.001(2)
C33 0.037(3) 0.045(3) 0.050(3) 0.001(2) 0.010(3) 0.001(2)
C34 0.052(4) 0.039(3) 0.054(4) -0.005(2) 0.018(3) -0.002(3)
C35 0.047(4) 0.046(3) 0.071(4) -0.010(3) 0.013(3) -0.007(3)
C36 0.039(3) 0.055(3) 0.064(4) -0.013(3) -0.002(3) 0.005(3)
C37 0.047(4) 0.046(3) 0.056(4) -0.008(3) 0.002(3) 0.004(3)
C38 0.078(5) 0.066(4) 0.195(9) 0.034(5) 0.041(5) -0.012(4)
C39 0.051(3) 0.041(3) 0.043(3) 0.003(2) 0.025(3) -0.001(2)
C40 0.051(3) 0.045(3) 0.032(3) 0.004(2) 0.018(3) 0.008(3)
C41 0.046(3) 0.054(3) 0.042(3) 0.010(2) 0.013(3) 0.004(3)
C42 0.045(4) 0.075(4) 0.051(4) 0.016(3) 0.018(3) 0.014(3)
C43 0.056(4) 0.138(6) 0.080(5) 0.022(5) 0.007(4) -0.001(4)
C44 0.073(5) 0.069(4) 0.084(5) 0.026(3) 0.034(4) 0.030(4)
C45 0.082(5) 0.039(3) 0.099(5) 0.013(3) 0.044(4) 0.012(3)
C46 0.054(4) 0.045(3) 0.073(4) 0.000(3) 0.028(3) 0.003(3)
C47 0.046(3) 0.034(2) 0.046(3) 0.009(2) 0.020(3) 0.001(2)
C48 0.051(3) 0.061(3) 0.043(4) 0.006(3) 0.017(3) 0.001(3)
C49 0.070(4) 0.074(4) 0.048(4) 0.015(3) 0.029(4) 0.015(3)
C50 0.064(4) 0.074(4) 0.057(4) 0.013(3) 0.032(4) 0.006(3)
C51 0.043(4) 0.060(3) 0.068(4) 0.013(3) 0.021(3) -0.006(3)
C52 0.083(6) 0.175(8) 0.105(7) -0.004(6) 0.016(5) -0.061(5)
C53 0.053(4) 0.043(3) 0.053(4) 0.003(2) 0.024(3) -0.001(3)
C54 0.048(3) 0.041(3) 0.034(3) -0.006(2) 0.011(3) -0.004(2)
C55 0.045(3) 0.042(3) 0.039(3) -0.004(2) 0.005(3) 0.001(2)
C56 0.053(4) 0.069(3) 0.045(4) -0.011(3) 0.009(3) -0.016(3)
C57 0.052(4) 0.102(5) 0.049(4) -0.006(3) 0.008(3) -0.019(3)
C58 0.068(5) 0.202(8) 0.110(7) -0.012(6) 0.025(5) -0.061(5)
C59 0.062(5) 0.121(5) 0.044(4) -0.018(4) -0.010(3) 0.002(4)
C60 0.069(5) 0.101(5) 0.044(4) 0.004(3) 0.017(4) 0.014(4)
C61 0.052(4) 0.076(4) 0.042(4) -0.003(3) 0.014(3) 0.003(3)
C62 0.048(3) 0.040(3) 0.036(3) -0.005(2) 0.012(2) 0.002(2)
C63 0.065(4) 0.044(3) 0.055(4) -0.002(2) 0.028(3) 0.000(3)
C64 0.090(5) 0.039(3) 0.058(4) 0.006(3) 0.023(3) 0.014(3)
C65 0.070(4) 0.050(3) 0.062(4) -0.004(3) 0.030(3) 0.018(3)
C66 0.050(3) 0.057(3) 0.044(3) -0.008(3) 0.016(3) 0.006(3)
C67 0.076(5) 0.088(4) 0.062(4) -0.001(3) 0.040(4) -0.004(3)
C68 0.052(3) 0.044(3) 0.040(3) -0.004(2) 0.014(3) -0.003(2)
O1 0.091(3) 0.114(3) 0.088(4) -0.003(3) 0.037(3) 0.057(3)
O2 0.060(3) 0.043(2) 0.113(4) 0.011(2) 0.019(2) -0.0033(19)
O3 0.059(3) 0.095(3) 0.079(3) 0.017(2) 0.010(2) 0.017(3)
O4 0.067(3) 0.120(3) 0.075(3) 0.006(3) 0.025(3) -0.028(3)
O5 0.058(3) 0.189(5) 0.073(4) -0.014(3) 0.005(3) -0.043(3)
O6 0.079(3) 0.070(2) 0.075(3) -0.008(2) 0.048(3) 0.011(2)
N1 0.042(3) 0.044(2) 0.035(3) 0.0052(18) 0.010(2) -0.004(2)
N2 0.036(3) 0.044(2) 0.039(3) 0.0033(18) 0.010(2) 0.0026(19)
N3 0.034(2) 0.042(2) 0.039(3) -0.0030(18) 0.012(2) 0.0046(19)
N4 0.036(2) 0.036(2) 0.040(3) -0.0040(17) 0.010(2) 0.0023(18)
N5 0.044(3) 0.040(2) 0.035(2) 0.0016(17) 0.015(2) 0.0036(19)
N6 0.035(2) 0.038(2) 0.041(3) 0.0015(18) 0.012(2) -0.0011(18)
N7 0.034(2) 0.041(2) 0.037(3) -0.0006(18) 0.009(2) 0.0010(18)
N8 0.039(3) 0.037(2) 0.038(3) -0.0024(18) 0.012(2) 0.0003(19)
Si1 0.0423(11) 0.1158(16) 0.127(2) 0.0062(14) 0.0115(12) 0.0163(11)
Si2 0.0530(12) 0.169(2) 0.0782(15) -0.0233(14) 0.0287(11) 0.0143(13)
I1 0.1234(4) 0.0992(3) 0.0776(4) 0.0436(3) 0.0476(3) 0.0095(3)
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 C1 1.949(5) . ?
Ru1 N7 2.000(4) . ?
Ru1 N5 2.049(3) . ?
Ru1 N1 2.063(3) . ?
Ru1 N3 2.101(4) . ?
Ru1 Ru2 2.5581(5) . ?
Ru2 C8 1.954(5) . ?
Ru2 N2 1.971(3) . ?
Ru2 N4 2.005(3) . ?
Ru2 N8 2.101(4) . ?
Ru2 N6 2.110(3) . ?
C1 C2 1.214(6) . ?
C2 C3 1.387(7) . ?
C3 C4 1.189(7) . ?
C4 Si1 1.828(6) . ?
C5 Si1 1.849(7) . ?
C6 Si1 1.834(7) . ?
C7 Si1 1.874(7) . ?
C8 C9 1.206(6) . ?
C9 C10 1.379(6) . ?
C10 C11 1.208(6) . ?
C11 Si2 1.826(6) . ?
C12 Si2 1.842(8) . ?
C13 Si2 1.860(8) . ?
C14 Si2 1.829(7) . ?
C15 N1 1.313(6) . ?
C15 N2 1.338(5) . ?
C15 C18 1.517(6) . ?
C16 N1 1.474(5) . ?
C17 N2 1.459(6) . ?
C18 C23 1.360(6) . ?
C18 C19 1.370(6) . ?
C19 C20 1.391(6) . ?
C20 C21 1.354(6) . ?
C21 C22 1.361(6) . ?
C21 I1 2.093(5) . ?
C22 C23 1.393(6) . ?
C24 N3 1.312(5) . ?
C24 N4 1.339(5) . ?
C25 C30 1.372(6) . ?
C25 C26 1.386(6) . ?
C25 N3 1.449(5) . ?
C26 C27 1.391(6) . ?
C27 O1 1.371(6) . ?
C27 C28 1.382(8) . ?
C28 C29 1.356(8) . ?
C29 C30 1.398(6) . ?
C31 O1 1.418(7) . ?
C32 C37 1.382(6) . ?
C32 C33 1.391(6) . ?
C32 N4 1.430(5) . ?
C33 C34 1.376(6) . ?
C34 O2 1.365(5) . ?
C34 C35 1.386(7) . ?
C35 C36 1.365(6) . ?
C36 C37 1.387(6) . ?
C38 O2 1.407(6) . ?
C39 N6 1.320(5) . ?
C39 N5 1.332(5) . ?
C40 C41 1.385(6) . ?
C40 C46 1.398(6) . ?
C40 N5 1.438(5) . ?
C41 C42 1.383(6) . ?
C42 O3 1.364(6) . ?
C42 C44 1.378(7) . ?
C43 O3 1.412(6) . ?
C44 C45 1.351(8) . ?
C45 C46 1.389(7) . ?
C47 C48 1.382(6) . ?
C47 C53 1.381(6) . ?
C47 N6 1.448(5) . ?
C48 C49 1.394(6) . ?
C49 C50 1.361(7) . ?
C50 C51 1.381(7) . ?
C51 O4 1.365(6) . ?
C51 C53 1.388(6) . ?
C52 O4 1.366(8) . ?
C54 N8 1.318(5) . ?
C54 N7 1.336(5) . ?
C55 C61 1.372(6) . ?
C55 C56 1.386(6) . ?
C55 N7 1.424(6) . ?
C56 C57 1.362(7) . ?
C57 O5 1.366(6) . ?
C57 C59 1.381(7) . ?
C58 O5 1.411(7) . ?
C59 C60 1.379(7) . ?
C60 C61 1.368(7) . ?
C62 C63 1.379(6) . ?
C62 C68 1.378(5) . ?
C62 N8 1.460(5) . ?
C63 C64 1.396(6) . ?
C64 C65 1.355(6) . ?
C65 C66 1.381(6) . ?
C66 O6 1.369(5) . ?
C66 C68 1.378(6) . ?
C67 O6 1.420(5) . ?
_cod_database_code 4060528