data_2011861 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2001 _journal_volume 57 _journal_page_first 394 _journal_page_last 396 _publ_section_title ; trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-\k^4^N]cobalt(III) diperchlorate ; loop_ _publ_author_name 'Cai, Jiwen' 'Hu, Xiaopeng' 'Chen, Cai-Hong' 'Ji, Liang-Nian' _chemical_name_common '[Co(tren)(DL-ile)](ClO~4~)~2~' _chemical_formula_moiety 'C12 H30 Co N5 O2 2+, 2(Cl1 O4 1-)' _chemical_formula_sum 'C12 H30 Cl2 Co N5 O10' _chemical_formula_iupac '[Co (C6 H18 N4) (C6 H12 N O2)] , 2Cl O4' _chemical_formula_weight 534.24 _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 9.4330(12) _cell_length_b 25.266(3) _cell_length_c 27.258(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 6496.4(14) _cell_formula_units_Z 12 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.639 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Co1 .86669(6) .82265(2) .921964(19) .02834(13) Uani d . 1 . . Co Co2 .95565(6) .33946(2) .227477(18) .02717(13) Uani d . 1 B . Co Co3 .36450(6) .11311(2) .051268(19) .03008(13) Uani d . 1 . . Co Cl1 .86572(14) .76049(5) .11297(4) .0475(3) Uani d . 1 . . Cl Cl2 .95511(16) .54194(5) .06815(5) .0584(3) Uani d . 1 . . Cl Cl3 .41576(19) .50652(8) .24666(7) .0767(5) Uani d . 1 . . Cl Cl4 .40763(16) .25784(7) .19845(8) .0750(5) Uani d . 1 . . Cl Cl5 -.00439(15) .23967(5) .07591(5) .0491(3) Uani d . 1 . . Cl Cl6 .00074(15) .01626(5) .09655(5) .0516(3) Uani d . 1 . . Cl C1 .9783(6) .9093(2) .96918(18) .0519(14) Uani d . 1 . . C H1A 1.0534 .8891 .9847 .062 Uiso calc R 1 . . H H1B 1.0047 .9464 .9698 .062 Uiso calc R 1 . . H C2 .8431(7) .9015(2) .99633(19) .0574(15) Uani d . 1 . . C H2A .8603 .9033 1.0314 .069 Uiso calc R 1 . . H H2B .7763 .9291 .9877 .069 Uiso calc R 1 . . H C3 1.0989(6) .8828(2) .8929(2) .0581(14) Uani d . 1 . . C H3A 1.1642 .8657 .9154 .070 Uiso calc R 1 . . H H3B 1.1393 .9164 .8830 .070 Uiso calc R 1 . . H C4 1.0761(6) .8486(2) .8489(2) .0559(14) Uani d . 1 . . C H4A 1.1661 .8353 .8369 .067 Uiso calc R 1 . . H H4B 1.0315 .8688 .8229 .067 Uiso calc R 1 . . H C5 .8682(7) .92891(18) .88971(18) .0479(12) Uani d . 1 . . C H5A .9273 .9525 .8704 .057 Uiso calc R 1 . . H H5B .8147 .9503 .9127 .057 Uiso calc R 1 . . H C6 .7665(6) .90005(19) .85602(19) .0483(12) Uani d . 1 . . C H6A .6871 .9227 .8478 .058 Uiso calc R 1 . . H H6B .8142 .8900 .8259 .058 Uiso calc R 1 . . H C7 .9878(5) .74386(18) .97586(15) .0351(10) Uani d . 1 . . C C8 .8527(5) .71627(18) .95814(17) .0413(10) Uani d . 1 . . C H8A .7933 .7098 .9870 .050 Uiso calc R 1 . . H C9 .8836(5) .66266(18) .93467(16) .0415(11) Uani d . 1 . . C H9A .9383 .6418 .9584 .050 Uiso calc R 1 . . H C10 .9745(7) .6685(2) .8883(2) .0587(14) Uani d . 1 . . C H10A .9188 .6863 .8633 .070 Uiso calc R 1 . . H H10B 1.0552 .6909 .8958 .070 Uiso calc R 1 . . H C11 1.0281(9) .6163(3) .8676(3) .092(2) Uani d . 1 . . C H11A 1.0800 .6228 .8379 .138 Uiso calc R 1 . . H H11B .9491 .5935 .8608 .138 Uiso calc R 1 . . H H11C 1.0892 .5996 .8912 .138 Uiso calc R 1 . . H C12 .7447(7) .6334(3) .9253(3) .0763(19) Uani d . 1 . . C H12A .7644 .5997 .9105 .115 Uiso calc R 1 . . H H12B .6863 .6540 .9037 .115 Uiso calc R 1 . . H H12C .6960 .6281 .9558 .115 Uiso calc R 1 . . H C13 .7526(6) .4157(2) .2435(2) .0504(13) Uani d . 1 B . C H13A .7226 .4525 .2434 .060 Uiso calc R 1 . . H H13B .7164 .3990 .2730 .060 Uiso calc R 1 . . H C14 .6965(6) .3873(2) .1980(2) .0621(16) Uani d . 1 B . C H14A .5978 .3779 .2028 .074 Uiso calc R 1 . . H H14B .7024 .4107 .1698 .074 Uiso calc R 1 . . H C17 .9672(7) .4477(2) .2027(2) .0644(16) Uani d . 1 B . C H17A .8945 .4541 .1783 .077 Uiso calc R 1 . . H H17B .9934 .4815 .2170 .077 Uiso calc R 1 . . H C18 1.0942(7) .4238(2) .1784(2) .0555(15) Uani d . 1 B . C H18A 1.1096 .4400 .1466 .067 Uiso calc R 1 . . H H18B 1.1781 .4294 .1983 .067 Uiso calc R 1 . . H C19 .8477(5) .26222(18) .28620(15) .0371(10) Uani d . 1 B . C C20 .9664(5) .23295(18) .25969(15) .0384(10) Uani d . 1 B . C H20A 1.0497 .2346 .2811 .046 Uiso calc R 1 . . H C21 .9375(5) .17403(18) .25020(17) .0420(11) Uani d . 1 . . C H21A .9113 .1586 .2819 .050 Uiso calc R 1 . . H C22 1.0745(7) .1460(2) .2340(3) .0705(18) Uani d . 1 . . C H22A 1.0873 .1516 .1991 .085 Uiso calc R 1 . . H H22B 1.1541 .1623 .2507 .085 Uiso calc R 1 . . H C23 1.0775(10) .0883(3) .2438(4) .137(5) Uani d . 1 . . C H23A 1.1659 .0738 .2326 .205 Uiso calc R 1 . . H H23B 1.0008 .0715 .2267 .205 Uiso calc R 1 . . H H23C 1.0677 .0822 .2784 .205 Uiso calc R 1 . . H C24 .8137(8) .1651(3) .2166(3) .085(2) Uani d . 1 . . C H24A .7326 .1839 .2288 .127 Uiso calc R 1 . . H H24B .7927 .1280 .2151 .127 Uiso calc R 1 . . H H24C .8367 .1778 .1843 .127 Uiso calc R 1 . . H C25 .6120(6) .0554(3) .0574(2) .0751(19) Uani d . 1 . . C H25A .6980 .0455 .0746 .090 Uiso calc R 1 . . H H25B .6344 .0597 .0229 .090 Uiso calc R 1 . . H C26 .4998(7) .0126(3) .0639(2) .0725(19) Uani d . 1 . . C H26A .5226 -.0179 .0438 .087 Uiso calc R 1 . . H H26B .4956 .0014 .0979 .087 Uiso calc R 1 . . H C27 .6355(6) .1522(3) .05980(19) .0624(16) Uani d . 1 . . C H27A .6561 .1482 .0251 .075 Uiso calc R 1 . . H H27B .7246 .1551 .0773 .075 Uiso calc R 1 . . H C28 .5487(7) .2005(3) .0680(2) .0694(19) Uani d . 1 . . C H28A .5880 .2299 .0496 .083 Uiso calc R 1 . . H H28B .5493 .2098 .1025 .083 Uiso calc R 1 . . H C29 .5482(6) .1053(3) .13413(19) .0645(17) Uani d . 1 . . C H29A .6148 .0794 .1468 .077 Uiso calc R 1 . . H H29B .5757 .1398 .1466 .077 Uiso calc R 1 . . H C30 .4018(6) .0922(3) .15192(19) .0663(17) Uani d . 1 . . C H30A .3901 .0541 .1533 .080 Uiso calc R 1 . . H H30B .3884 .1062 .1847 .080 Uiso calc R 1 . . H C31 .3391(5) .12224(17) -.04823(15) .0339(10) Uani d . 1 . . C C32 .1892(5) .13625(17) -.02980(15) .0320(9) Uani d . 1 . . C H32A .1832 .1750 -.0291 .038 Uiso calc R 1 . . H C33 .0695(5) .11684(18) -.06341(14) .0367(10) Uani d . 1 . . C H33A .0829 .1341 -.0953 .044 Uiso calc R 1 . . H C34 -.0745(5) .1346(3) -.0439(2) .0584(15) Uani d . 1 . . C H34A -.0925 .1170 -.0129 .070 Uiso calc R 1 . . H H34B -.0713 .1724 -.0376 .070 Uiso calc R 1 . . H C35 -.1954(7) .1231(4) -.0786(3) .095(3) Uani d . 1 . . C H35A -.2827 .1353 -.0644 .143 Uiso calc R 1 . . H H35B -.2012 .0856 -.0842 .143 Uiso calc R 1 . . H H35C -.1794 .1410 -.1091 .143 Uiso calc R 1 . . H C36 .0750(7) .0578(2) -.0722(2) .0567(14) Uani d . 1 . . C H36A -.0011 .0477 -.0936 .085 Uiso calc R 1 . . H H36B .0655 .0395 -.0415 .085 Uiso calc R 1 . . H H36C .1640 .0487 -.0870 .085 Uiso calc R 1 . . H N1 .9601(4) .89139(15) .91734(14) .0400(9) Uani d . 1 . . N N2 .7835(4) .84895(14) .98342(13) .0394(9) Uani d . 1 . . N H2C .6889 .8516 .9800 .047 Uiso calc R 1 . . H H2D .8015 .8258 1.0078 .047 Uiso calc R 1 . . H N3 .9825(4) .80359(15) .86389(14) .0384(9) Uani d . 1 . . N H3C 1.0363 .7752 .8710 .046 Uiso calc R 1 . . H H3D .9249 .7949 .8388 .046 Uiso calc R 1 . . H N4 .7162(4) .85241(14) .88236(13) .0363(8) Uani d . 1 . . N H4C .6862 .8281 .8605 .044 Uiso calc R 1 . . H H4D .6425 .8611 .9017 .044 Uiso calc R 1 . . H N5 .7748(4) .75365(13) .92577(13) .0338(8) Uani d . 1 . . N H5C .6860 .7578 .9372 .041 Uiso calc R 1 . . H H5D .7688 .7397 .8954 .041 Uiso calc R 1 . . H N6 .9081(4) .41240(15) .24223(13) .0383(9) Uani d D 1 . . N N7 .7806(4) .33913(15) .18872(13) .0371(8) Uani d . 1 . . N H7A .8022 .3372 .1566 .045 Uiso calc R 1 B . H H7B .7288 .3104 .1965 .045 Uiso calc R 1 . . H N8 1.1141(4) .34843(16) .27369(14) .0453(9) Uani d D 1 . . N H8B 1.1074 .3239 .2975 .054 Uiso calc R 1 A 1 H H8C 1.1964 .3432 .2577 .054 Uiso calc R 1 A 1 H N9 1.0669(4) .36678(14) .17270(13) .0352(8) Uani d . 1 . . N H9B 1.1499 .3493 .1711 .042 Uiso calc R 1 B . H H9C 1.0198 .3611 .1445 .042 Uiso calc R 1 . . H N10 1.0009(4) .26477(13) .21540(12) .0342(8) Uani d . 1 . . N H10C .9505 .2529 .1896 .041 Uiso calc R 1 B . H H10D 1.0936 .2614 .2082 .041 Uiso calc R 1 . . H N11 .5555(4) .10580(19) .07762(15) .0504(11) Uani d . 1 . . N N12 .3618(5) .03546(15) .04860(16) .0507(10) Uani d . 1 . . N H12D .2929 .0232 .0684 .061 Uiso calc R 1 . . H H12E .3420 .0250 .0178 .061 Uiso calc R 1 . . H N13 .4001(4) .18992(16) .05149(15) .0448(10) Uani d . 1 . . N H13C .3872 .2031 .0211 .054 Uiso calc R 1 . . H H13D .3386 .2060 .0718 .054 Uiso calc R 1 . . H N14 .2972(5) .11469(17) .11918(12) .0430(9) Uani d . 1 . . N H14C .2794 .1484 .1280 .052 Uiso calc R 1 . . H H14D .2159 .0963 .1215 .052 Uiso calc R 1 . . H N15 .1770(4) .11816(15) .02141(11) .0317(8) Uani d . 1 . . N H15E .1344 .0863 .0222 .038 Uiso calc R 1 . . H H15F .1233 .1411 .0385 .038 Uiso calc R 1 . . H O1 1.0087(3) .79204(12) .96235(12) .0408(8) Uani d . 1 . . O O2 1.0638(4) .72004(14) 1.00467(12) .0506(9) Uani d . 1 . . O O3 .8412(3) .31199(11) .27908(10) .0368(7) Uani d . 1 . . O O4 .7691(4) .23810(13) .31537(11) .0449(8) Uani d . 1 . . O O5 .4302(3) .11244(13) -.01475(10) .0368(7) Uani d . 1 . . O O6 .3649(4) .12278(13) -.09249(10) .0439(8) Uani d . 1 . . O O7 .9492(9) .7162(3) .1165(2) .158(3) Uani d . 1 . . O O8 .7716(5) .7653(2) .15368(14) .0770(13) Uani d . 1 . . O O9 .7931(7) .7610(4) .07151(19) .179(4) Uani d . 1 . . O O10 .9580(11) .8011(4) .1160(4) .231(6) Uani d . 1 . . O O11 1.0651(7) .5057(2) .0602(3) .128(2) Uani d . 1 . . O O12 .9267(8) .5437(3) .11890(19) .128(2) Uani d . 1 . . O O13 1.0039(7) .5906(2) .0530(2) .113(2) Uani d . 1 . . O O14 .8312(5) .5288(2) .0421(2) .0985(17) Uani d . 1 . . O O15 .4650(11) .4920(3) .2921(2) .146(3) Uani d . 1 . . O O16 .4995(13) .5469(6) .2340(4) .296(9) Uani d . 1 . . O O17 .2718(8) .5212(3) .2429(4) .156(3) Uani d . 1 . . O O18 .4260(12) .4677(6) .2171(5) .312(10) Uani d . 1 . . O O19 .400(2) .2313(7) .2424(4) .341(11) Uani d . 1 . . O O20 .3375(9) .3030(4) .2076(3) .170(4) Uani d . 1 . . O O21 .5384(6) .2621(3) .1842(3) .156(3) Uani d . 1 . . O O22 .3253(7) .2267(3) .1666(3) .173(4) Uani d . 1 . . O O23 -.1139(8) .2455(2) .0406(2) .121(2) Uani d . 1 . . O O24 .0134(7) .18625(17) .08928(18) .0968(18) Uani d . 1 . . O O25 .1144(9) .2536(4) .0440(4) .204(5) Uani d . 1 . . O O26 -.0318(18) .2693(3) .11201(18) .307(10) Uani d . 1 . . O O27 .1322(5) .0058(2) .12165(16) .0865(15) Uani d . 1 . . O O28 .0255(8) .0123(2) .04534(15) .117(2) Uani d . 1 . . O O29 -.1083(6) -.0173(2) .11138(19) .1025(19) Uani d . 1 . . O O30 -.0307(7) .0697(2) .1052(3) .119(2) Uani d . 1 . . O C15A .9634(8) .4203(4) .2938(3) .044(2) Uiso d PD .726(18) B 1 C H15A .9582 .4574 .3026 .053 Uiso calc PR .726(18) B 1 H H15B .9059 .4004 .3168 .053 Uiso calc PR .726(18) B 1 H C16A 1.1152(10) .4016(3) .2962(4) .053(2) Uiso d PD .726(18) B 1 C H16A 1.1770 .4252 .2781 .063 Uiso calc PR .726(18) B 1 H H16B 1.1475 .3998 .3299 .063 Uiso calc PR .726(18) B 1 H C15B 1.001(2) .4366(6) .2815(6) .038(5) Uiso d PD .274(18) B 2 C H15C 1.0734 .4586 .2666 .045 Uiso calc PR .274(18) B 2 H H15D .9444 .4585 .3032 .045 Uiso calc PR .274(18) B 2 H C16B 1.067(2) .3928(6) .3093(6) .036(5) Uiso d PD .274(18) B 2 C H16C .9998 .3787 .3328 .043 Uiso calc PR .274(18) B 2 H H16D 1.1487 .4059 .3272 .043 Uiso calc PR .274(18) B 2 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Co1 .0273(3) .0270(3) .0307(3) -.0018(2) -.0034(2) -.0029(2) Co2 .0298(3) .0297(3) .0220(3) -.0002(2) .0013(2) .0006(2) Co3 .0288(3) .0367(3) .0247(3) -.0007(3) -.0015(2) .0024(2) Cl1 .0393(6) .0658(8) .0375(6) -.0037(6) -.0033(5) -.0050(5) Cl2 .0565(8) .0498(7) .0690(9) -.0119(7) .0004(7) -.0090(6) Cl3 .0661(10) .0955(13) .0686(10) .0137(9) -.0117(8) .0045(9) Cl4 .0420(8) .0809(11) .1022(13) .0011(8) .0110(8) -.0078(10) Cl5 .0612(8) .0376(6) .0485(7) .0088(6) -.0033(6) -.0030(5) Cl6 .0537(8) .0523(7) .0489(7) -.0119(6) -.0043(6) .0162(6) C1 .067(4) .044(3) .045(3) -.019(3) -.016(3) -.007(2) C2 .086(4) .039(3) .048(3) -.008(3) -.002(3) -.015(2) C3 .041(3) .062(4) .071(4) -.014(3) .001(3) .000(3) C4 .040(3) .064(3) .064(3) .000(3) .013(2) -.001(3) C5 .067(3) .027(2) .049(3) -.006(2) -.007(3) .004(2) C6 .049(3) .042(3) .053(3) .002(2) -.005(2) .003(2) C7 .036(2) .039(2) .030(2) .007(2) -.0120(18) -.0033(18) C8 .043(3) .038(2) .043(3) -.002(2) -.002(2) -.0008(19) C9 .048(3) .034(2) .042(2) .002(2) -.006(2) .0007(19) C10 .065(4) .045(3) .065(3) .002(3) .009(3) -.007(3) C11 .106(6) .056(4) .114(6) .011(4) .025(5) -.020(4) C12 .066(4) .062(4) .101(5) -.024(3) .001(4) -.013(4) C13 .046(3) .051(3) .054(3) .020(3) .010(2) .002(2) C14 .047(3) .065(4) .073(4) .022(3) -.021(3) -.017(3) C17 .072(4) .035(3) .086(4) .007(3) .023(3) .008(3) C18 .077(4) .040(3) .049(3) -.015(3) .018(3) .000(2) C19 .041(3) .043(3) .027(2) -.001(2) .0036(19) .0014(18) C20 .041(3) .042(3) .032(2) -.001(2) .0050(19) .0032(18) C21 .053(3) .031(2) .042(2) .000(2) .012(2) .004(2) C22 .078(4) .051(3) .082(4) .009(3) .030(4) .012(3) C23 .120(8) .057(5) .232(12) .016(5) .089(8) .030(6) C24 .096(5) .065(4) .092(5) -.022(4) -.006(4) -.007(4) C25 .039(3) .109(5) .078(4) .030(4) .000(3) .011(4) C26 .084(5) .061(4) .073(4) .041(4) -.003(3) .012(3) C27 .034(3) .106(5) .047(3) -.023(3) -.004(2) .009(3) C28 .073(4) .085(4) .050(3) -.052(4) -.007(3) .009(3) C29 .051(3) .101(5) .041(3) -.018(3) -.016(3) .024(3) C30 .058(4) .107(5) .034(3) -.006(3) -.011(2) .017(3) C31 .036(2) .033(2) .032(2) -.0014(18) .0015(19) .0024(18) C32 .035(2) .031(2) .030(2) .0004(18) -.0003(17) -.0013(17) C33 .042(3) .045(3) .023(2) .000(2) -.0055(17) -.0015(18) C34 .037(3) .089(4) .050(3) .012(3) -.010(2) -.005(3) C35 .047(3) .174(8) .065(4) .016(4) -.016(3) -.015(5) C36 .068(4) .044(3) .057(3) -.014(3) -.005(3) -.002(2) N1 .040(2) .036(2) .044(2) -.0087(18) -.0051(18) -.0025(17) N2 .044(2) .036(2) .038(2) -.0061(18) -.0012(17) -.0064(16) N3 .034(2) .042(2) .040(2) -.0008(17) -.0002(17) -.0011(16) N4 .037(2) .0322(19) .040(2) .0049(16) -.0049(16) -.0037(16) N5 .0309(18) .0348(19) .0358(19) -.0007(16) -.0049(16) -.0045(16) N6 .044(2) .037(2) .034(2) .0060(17) .0006(16) -.0076(16) N7 .038(2) .040(2) .0334(19) -.0008(18) .0004(16) -.0002(16) N8 .045(2) .055(2) .036(2) .002(2) -.0086(19) -.0034(18) N9 .036(2) .038(2) .0313(18) -.0021(16) .0069(16) .0017(15) N10 .036(2) .0341(19) .0323(19) -.0026(16) .0089(15) .0021(15) N11 .028(2) .080(3) .043(2) -.005(2) -.0058(19) .010(2) N12 .061(3) .042(2) .050(2) .006(2) .005(2) .0055(18) N13 .052(2) .048(2) .034(2) -.0084(19) .0010(18) -.0028(17) N14 .050(2) .051(2) .0285(19) .000(2) -.0004(17) .0016(17) N15 .0285(18) .040(2) .0263(16) -.0013(15) .0014(14) -.0009(15) O1 .0386(18) .0389(18) .0448(18) -.0038(14) -.0114(14) -.0036(14) O2 .050(2) .053(2) .0487(19) .0112(17) -.0165(17) -.0006(16) O3 .0448(19) .0351(16) .0305(15) .0018(14) .0121(14) .0011(12) O4 .049(2) .0483(19) .0370(17) -.0019(16) .0133(15) .0136(15) O5 .0298(16) .0506(19) .0299(15) .0024(14) .0012(13) .0035(13) O6 .0456(18) .060(2) .0256(15) -.0048(17) .0113(15) -.0009(14) O7 .172(7) .185(7) .115(5) .120(6) .037(5) .027(5) O8 .070(3) .109(4) .052(2) .012(3) .015(2) -.007(2) O9 .113(5) .370(13) .053(3) .097(7) -.034(3) -.055(5) O10 .170(8) .184(8) .338(14) -.107(7) .144(9) -.113(9) O11 .094(4) .094(4) .197(7) .016(3) .005(5) -.027(4) O12 .147(6) .176(7) .063(3) .007(5) .014(4) .004(4) O13 .131(5) .076(3) .132(4) -.055(3) -.040(4) .029(3) O14 .069(3) .109(4) .118(4) -.030(3) -.004(3) -.047(3) O15 .218(9) .132(5) .088(4) .004(6) -.037(5) .021(4) O16 .239(11) .420(17) .228(10) -.225(13) -.135(9) .230(12) O17 .097(5) .102(5) .269(9) .027(4) .005(6) .039(5) O18 .191(10) .434(18) .310(13) .190(12) -.143(10) -.290(14) O19 .45(3) .44(2) .137(8) -.14(2) -.095(12) .114(11) O20 .148(7) .201(8) .160(7) .102(6) -.014(5) -.068(6) O21 .050(3) .172(6) .246(8) -.031(4) .033(4) -.121(6) O22 .106(5) .210(8) .203(8) -.096(5) .032(5) -.098(7) O23 .171(6) .092(4) .100(4) -.025(4) -.067(4) .027(3) O24 .152(5) .049(2) .089(3) .039(3) .031(3) .011(2) O25 .120(6) .234(10) .257(11) -.043(7) .000(7) .126(9) O26 .76(3) .125(5) .038(3) .225(11) -.026(7) -.014(3) O27 .059(3) .122(4) .079(3) -.012(3) -.008(2) .041(3) O28 .163(6) .147(5) .040(2) -.082(5) -.004(3) .005(3) O29 .078(3) .124(4) .106(4) -.048(3) -.017(3) .062(3) O30 .107(5) .073(3) .177(6) .008(3) .015(5) -.016(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Co1 O1 . 1.899(3) no Co1 N4 . 1.935(4) no Co1 N5 . 1.950(3) no Co1 N1 . 1.952(4) no Co1 N2 . 1.966(4) no Co1 N3 . 1.983(4) no Co2 O3 . 1.904(3) no Co2 N6 . 1.939(4) no Co2 N9 . 1.951(3) no Co2 N7 . 1.961(4) no Co2 N10 . 1.962(4) no Co2 N8 . 1.968(4) no Co3 O5 . 1.903(3) no Co3 N11 . 1.949(4) no Co3 N15 . 1.951(3) no Co3 N14 . 1.957(4) no Co3 N12 . 1.963(4) no Co3 N13 . 1.970(4) no Cl1 O9 . 1.321(5) no Cl1 O10 . 1.349(7) no Cl1 O7 . 1.372(6) no Cl1 O8 . 1.426(4) no Cl2 O13 . 1.377(5) no Cl2 O11 . 1.401(6) no Cl2 O14 . 1.408(5) no Cl2 O12 . 1.410(5) no Cl3 O18 . 1.274(8) no Cl3 O16 . 1.336(8) no Cl3 O15 . 1.372(6) no Cl3 O17 . 1.412(7) no Cl4 O21 . 1.298(6) no Cl4 O20 . 1.343(7) no Cl4 O19 . 1.374(10) no Cl4 O22 . 1.405(6) no Cl5 O26 . 1.264(5) no Cl5 O24 . 1.408(4) no Cl5 O23 . 1.419(6) no Cl5 O25 . 1.461(8) no Cl6 O29 . 1.394(5) no Cl6 O30 . 1.403(5) no Cl6 O28 . 1.419(5) no Cl6 O27 . 1.441(5) no C1 C2 . 1.488(8) no C1 N1 . 1.493(6) no C2 N2 . 1.484(6) no C3 N1 . 1.485(7) no C3 C4 . 1.494(8) no C4 N3 . 1.497(6) no C5 N1 . 1.489(6) no C5 C6 . 1.515(7) no C6 N4 . 1.480(6) no C7 O2 . 1.222(5) no C7 O1 . 1.287(5) no C7 C8 . 1.530(7) no C8 N5 . 1.487(6) no C8 C9 . 1.526(6) no C9 C12 . 1.526(8) no C9 C10 . 1.534(7) no C10 C11 . 1.520(8) no C13 N6 . 1.470(7) no C13 C14 . 1.528(7) no C14 N7 . 1.475(6) no C17 C18 . 1.497(8) no C17 N6 . 1.505(7) no C18 N9 . 1.471(6) no C19 O4 . 1.246(5) no C19 O3 . 1.274(5) no C19 C20 . 1.524(6) no C20 N10 . 1.487(5) no C20 C21 . 1.535(6) no C21 C24 . 1.501(8) no C21 C22 . 1.539(8) no C22 C23 . 1.483(9) no C25 N11 . 1.485(8) no C25 C26 . 1.523(10) no C26 N12 . 1.484(7) no C27 N11 . 1.476(7) no C27 C28 . 1.487(9) no C28 N13 . 1.496(7) no C29 C30 . 1.501(8) no C29 N11 . 1.542(7) no C30 N14 . 1.447(6) no C31 O6 . 1.231(5) no C31 O5 . 1.278(5) no C31 C32 . 1.542(6) no C32 N15 . 1.473(5) no C32 C33 . 1.534(6) no C33 C36 . 1.512(7) no C33 C34 . 1.526(7) no C34 C35 . 1.510(8) no N6 C15A . 1.512(7) no N6 C15B . 1.512(13) no N8 C16A . 1.476(8) no N8 C16B . 1.547(14) no C15A C16A . 1.510(10) no C15B C16B . 1.480(16) no