data_2005064 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume 'C52' _journal_page_first 1394 _journal_page_last 1399 _publ_section_title ; The Pseudo-Racemic Complex Bis[tris(2,2'-bipyridine)ruthenium(II)] Hexacyanocobaltate(III) Chloride Octahydrate, [Ru(bpy)~3~]~2~[Co(CN)~6~]Cl.8H~2~O ; _chemical_formula_iupac '[Ru (C10 H8 N2)3]2 [Co(C N)6] Cl , 8H2 O' _chemical_formula_moiety "(C30 H24 N6 R2 2+)2, (C6 Co N6 3-), Cl 1-, 8(H2 O)" _chemical_formula_sum 'C66 H64 Cl Co N18 O8 Ru2' _chemical_formula_weight 1533.87 _symmetry_cell_setting 'monoclinic' loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z ' ' -x, +y, -z ' ' 1/2+x, 1/2+y, +z ' ' 1/2-x, 1/2+y, -z ' _symmetry_space_group_name_H-M 'C 2' _cell_length_a 22.201(5) _cell_length_b 13.667(3) _cell_length_c 22.087(4) _cell_angle_alpha 90 _cell_angle_beta 90.43(2) _cell_angle_gamma 90 _cell_volume 6701(2) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.520 _exptl_crystal_density_meas 1.52 _cell_measurement_temperature 296 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ru(1) .16489(2) .1860 .00198(2) .02990(10) Ru(2) .16525(2) .13811(3) .50735(2) .02970(10) Co(1) .50009(3) .16039(8) .25011(3) .02660(10) Cl(1) .82898(9) .1565(2) .24000(10) .0668(6) O(1) .5000 .2400(7) .0 .061(2) O(2) .0 .5847(7) .5000 .058(2) O(3) .2582(2) .2960(5) .2320(3) .074(2) O(4) .0648(3) .2888(8) .2480(4) .096(3) O(5) .7331(2) -.0067(4) .2635(2) .0570(10) O(6) .6819(2) .4754(4) .2558(3) .082(2) O(7) .8027(2) .3817(4) .2465(2) .0540(10) O(8) .9400(3) .0178(7) .2562(4) .097(3) O(9) .1694(3) .1729(8) .2689(5) .121(3) N(1) .1026(2) .2601(4) -.0520(2) .0360(10) N(2) .1574(2) .3189(4) .0469(2) .0360(10) N(3) .2377(2) .2344(4) -.0470(2) .0320(10) N(4) .2361(2) .1336(5) .0544(2) .0340(10) N(5) .1558(2) .0551(4) -.0437(2) .0380(10) N(6) .1018(2) .1152(4) .0547(2) .0310(10) N(7) .1035(2) .0695(4) .4521(2) .0360(10) N(8) .1557(2) .0084(4) .5513(2) .0350(10) N(9) .2374(2) .0858(4) .4580(2) .0390(10) N(10) .2364(2) .1870(4) .5598(2) .0330(10) N(11) .1589(2) .2693(4) .4619(2) .0330(10) N(12) .1013(2) .2127(5) .5592(2) .0420(10) N(13) .5002(3) .1480(6) .1129(2) .054(2) N(14) .4097(3) -.0040(7) .2547(3) .066(2) N(15) .3907(3) .2963(7) .2420(3) .063(2) N(16) .5003(2) .1811(6) .3879(2) .0490(10) N(17) .5859(3) .3353(5) .2429(3) .054(2) N(18) .6037(4) .0183(7) .2579(3) .073(2) C(1) .0820(3) .2286(6) -0.1066(3) .045(2) C(2) .0466(3) .2883(7) -0.1441(3) .050(2) C(3) .0325(3) .3799(6) -0.1272(3) .046(2) C(4) .0544(2) .4134(6) -.0714(3) .050(2) C(5) .0894(3) .3517(5) -.0353(3) .0360(10) C(6) .1155(2) .3843(5) .0233(2) .037(2) C(7) .1025(3) .4691(6) .0521(3) .046(2) C(8) .1299(4) .4882(7) .1071(4) .059(2) C(9) .1691(3) .4280(8) .1314(4) .064(3) C(10) .1845(3) .3421(6) .0998(3) .046(2) C(11) .2365(3) .2837(6) -.0997(3) .050(2) C(12) .2895(3) .3019(7) -0.1330(3) .055(2) C(13) .3442(3) .2769(7) -0.1098(3) .053(2) C(14) .3458(3) .2326(6) -.0550(3) .046(2) C(15) .2919(2) .2089(5) -.0242(2) .0350(10) C(16) .2901(2) .1597(5) .0343(2) .0330(10) C(17) .3430(3) .1384(7) .0675(3) .047(2) C(18) .3371(3) .0886(8) .1224(3) .056(2) C(19) .2829(3) .0620(7) .1410(3) .056(2) C(20) .2310(3) .0864(7) .1077(3) .056(2) C(21) .1834(3) .0320(6) -.0967(3) .046(2) C(22) .1686(3) -.0529(6) -0.1290(3) .052(2) C(23) .1281(3) -0.1162(5) -0.1046(3) .052(2) C(24) .1003(3) -.0963(5) -.0496(3) .045(2) C(25) .1145(3) -.0093(5) -.0193(3) .038(2) C(26) .0884(3) .0225(6) .0362(3) .040(2) C(27) .0553(3) -.0406(6) .0716(3) .046(2) C(28) .0320(3) -.0043(8) .1286(4) .062(3) C(29) .0452(3) .0877(7) .1459(3) .053(2) C(30) .0787(3) .1455(7) .1077(3) .048(2) C(31) .0824(3) .1029(6) .3982(3) .051(2) C(32) .0502(3) .0440(7) .3582(3) .055(2) C(33) .0361(3) -.0499(8) .3760(3) .062(2) C(34) .0550(3) -.0845(6) .4310(3) .051(2) C(35) .0895(3) -.0236(6) .4688(3) .040(2) C(36) .1165(3) -.0550(5) .5259(3) .0370(10) C(37) .1009(3) -0.1438(6) .5545(3) .051(2) C(38) .1265(3) -0.1680(6) .6097(3) .052(2) C(39) .1686(3) -0.1016(7) .6343(3) .056(2) C(40) .1803(3) -.0165(6) .6055(3) .047(2) C(41) .2353(3) .0413(7) .4041(3) .056(2) C(42) .2830(4) .0152(8) .3720(3) .066(2) C(43) .3393(3) .0476(8) .3927(3) .058(2) C(44) .3439(3) .0966(6) .4471(3) .047(2) C(45) .2932(2) .1139(5) .4798(2) .0330(10) C(46) .2934(2) .1676(4) .5373(2) .0330(10) C(47) .3443(2) .1916(7) .5698(3) .0420(10) C(48) .3409(3) .2349(7) .6249(3) .050(2) C(49) .2835(3) .2552(7) .6490(3) .051(2) C(50) .2341(2) .2329(5) .6136(3) .0410(10) C(51) .1856(3) .2919(6) .4088(3) .049(2) C(52) .1728(4) .3737(8) .3776(3) .060(2) C(53) .1294(4) .4396(7) .3968(4) .065(2) C(54) .1040(4) .4169(7) .4518(3) .054(2) C(55) .1183(2) .3326(5) .4824(3) .0350(10) C(56) .0883(2) .3034(5) .5400(3) .0350(10) C(57) .0498(3) .3652(7) .5730(3) .054(2) C(58) .0307(3) .3363(6) .6277(3) .047(2) C(59) .0447(3) .2420(7) .6475(3) .055(2) C(60) .0797(2) .1817(7) .6119(3) .044(2) C(61) .5004(2) .1506(5) .1640(2) .0310(10) C(62) .4442(3) .0559(6) .2544(3) .041(2) C(63) .4333(3) .2461(6) .2445(3) .040(2) C(64) .5000(2) .1709(5) .3357(2) .0370(10) C(65) .5531(3) .2698(5) .2465(2) .0360(10) C(66) .5667(3) .0742(5) .2546(3) .042(2) H(1) .0919 .1645 -0.1198 .0509 H(2) .0324 .2639 -0.1818 .0615 H(3) .0084 .4207 -0.1523 .0544 H(4) .0455 .4778 -0.0581 .0594 H(5) .0750 .5145 .0348 .0548 H(6) .1200 .5467 .1280 .0713 H(7) .1869 .4420 .1696 .0715 H(8) .2145 .2998 .1160 .0532 H(9) .1990 .3069 -0.1150 .0622 H(10) .2868 .3319 -0.1718 .0656 H(11) .3802 .2900 -0.1313 .0631 H(12) .3836 .2173 -0.0368 .0550 H(13) .3814 .1574 .0530 .0578 H(14) .3717 .0738 .1462 .0671 H(15) .2791 .0259 .1775 .0685 H(16) .1924 .0697 .1227 .0634 H(17) .2134 .0745 -0.1121 .0549 H(18) .1865 -0.0661 -0.1670 .0600 H(19) .1187 -0.1750 -0.1255 .0645 H(20) .0721 -0.1410 -0.0330 .0539 H(21) .0480 -0.1061 .0591 .0539 H(22) .0076 -0.0448 .1533 .0742 H(23) .0318 .1122 .1837 .0652 H(24) .0860 .2114 .1195 .0548 H(25) .0900 .1690 .3873 .0625 H(26) .0382 .0678 .3195 .0681 H(27) .0130 -0.0907 .3498 .0745 H(28) .0450 -0.1491 .4434 .0592 H(29) .0727 -0.1867 .5358 .0610 H(30) .1163 -0.2269 .6301 .0598 H(31) .1887 -0.1167 .6712 .0681 H(32) .2072 .0283 .6244 .0641 H(33) .1966 .0272 .3875 .0641 H(34) .2790 -0.0236 .3366 .0794 H(35) .3743 .0357 .3693 .0690 H(36) .3820 .1182 .4616 .0581 H(37) .3828 .1774 .5533 .0503 H(38) .3765 .2514 .6469 .0511 H(39) .2791 .2831 .6881 .0609 H(40) .1956 .2513 .6282 .0511 H(41) .2147 .2479 .3929 .0589 H(42) .1941 .3870 .3413 .0547 H(43) .1181 .4958 .3740 .0710 H(44) .0757 .4609 .4690 .0623 H(45) .0375 .4264 .5568 .0661 H(46) .0080 .3793 .6525 .0581 H(47) .0302 .2192 .6853 .0650 H(48) .0885 .1172 .6252 .0527