#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000467.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_2000467 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 2029 _journal_page_last 2031 loop_ _publ_author_name 'Khodadad, P.' 'Rodier, N.' _chemical_formula_moiety '5(C10 H15 N3 O6),H2 O1' _chemical_formula_sum 'C50 H77 N15 O31 Pt5' _chemical_formula_weight 2359.7 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21' _symmetry_space_group_name_Hall ? _cell_length_a 11.278(5) _cell_length_b 15.195(5) _cell_length_c 19.920(10) _cell_angle_alpha 90. _cell_angle_beta 91.60(4) _cell_angle_gamma 90. _cell_volume 3412(4) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.297 _exptl_crystal_density_meas 2.30(5) _exptl_crystal_F_000 2240 _exptl_absorpt_coefficient_mu 10.42 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.7107 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pt(10) .39245(5) .250 .32736(3) N(11) .4800(10) .3648(9) .3430(7) C(12) .456(2) .4350(10) .3754(9) C(13) .571(2) .4800(10) .3920(10) C(14) .673(2) .4140(10) .3770(10) C(15) .6100(10) .3520(10) .3278(9) O(16) .3600(10) .4647(9) .3913(7) C(17) .6430(10) .2610(10) .3311(8) O(18) .7473(9) .2412(9) .3412(7) O(19) .5597(8) .2026(8) .3217(6) N'(11) .2240(10) .2766(9) .3371(6) C'(12) .1530(10) .3490(10) .3319(8) C'(13) .0230(10) .3180(10) .3323(9) C'(14) .0250(10) .2200(10) .3280(10) C'(15) .1560(10) .2030(10) .3517(7) O'(16) .1850(10) .4244(9) .3223(7) C'(17) .2130(10) .1220(10) .3212(9) O'(18) .1630(10) .0497(9) .3121(7) O'(19) .3250(10) .1282(8) .3111(6) Pt(20) .64585(6) .15877(6) .96098(3) N(21) .5340(10) .0630(10) .9849(7) C(22) .526(2) .0090(10) 1.0320(10) C(23) .408(2) -.0370(10) 1.0350(10) C(24) .330(2) .0200(10) .9880(10) C(25) .425(2) .072(2) .9463(8) O(26) .6110(10) -.0190(10) 1.0734(8) C(27) .3980(10) .1670(10) .9346(8) O(28) .2970(10) .1960(10) .9249(7) O(29) .4906(9) .2168(9) .9336(6) N'(21) .8110(10) .1150(10) .9845(7) C'(22) .859(2) .0360(10) 1.0002(9) C'(23) .992(2) .0430(10) .9940(10) C'(24) 1.012(2) .131(2) .9560(10) C'(25) .901(2) .178(2) .9740(10) O'(26) .7990(10) -.0296(9) 1.0173(8) C'(27) .8540(10) .250(2) .9271(9) O'(28) .9230(10) .3040(10) .8988(7) O'(29) .7413(9) .2604(8) .9248(6) Pt(30) .34223(6) .23665(5) .74535(3) N(31) .2260(10) .1370(10) .7467(8) C(32) .218(2) .0630(10) .7738(9) C(33) .095(2) .025(2) .7660(10) C(34) .017(2) .104(2) .7450(10) C(35) .1090(10) .1660(10) .7143(8) O(36) .3050(10) .0148(8) .7954(7) C(37) .090(2) .2640(10) .7268(9) O(38) -.0050(10) .2988(9) .7258(7) O(39) .1940(10) .3074(9) .7324(7) N'(31) .5020(10) .1820(10) .7623(7) C'(32) .550(2) .1030(10) .7611(8) C'(33) .682(2) .1160(10) .7640(10) C'(34) .7090(10) .2140(10) .7520(10) C'(35) .5920(10) .2520(10) .7775(8) O'(36) .4990(10) .0322(7) .7560(7) C'(37) .553(2) .3380(10) .7500(10) O'(38) .6210(10) .4019(9) .7434(6) O'(39) .4420(10) .3473(8) .7367(7) Pt(40) .13160(5) .27483(5) .54038(3) N(41) .0230(10) .1745(9) .5295(6) C(42) .023(2) .0900(10) .5407(9) C(43) -.0940(10) .0480(10) .5468(9) C(44) -.174(2) .1270(10) .5550(10) C(45) -.1080(10) .2020(10) .5192(8) O(46) .1230(10) .0456(8) .5449(7) C(47) -.1210(10) .2950(10) .5478(9) O(48) -.2188(9) .3199(9) .5614(8) O(49) -.0250(10) .3376(9) .5526(7) N'(41) .2930(10) .2308(9) .5337(6) C'(42) .3450(10) .1610(10) .5029(7) C'(43) .4800(10) .1760(10) .5002(9) C'(44) .4920(10) .2710(10) .5200(9) C'(45) .3860(10) .2850(10) .5635(8) O'(46) .2910(10) .0942(8) .4784(6) C'(47) .3370(10) .3810(10) .5642(9) O'(48) .4020(10) .4454(9) .5732(7) O'(49) .2231(9) .3845(7) .5560(6) Pt(50) .07560(5) .18219(5) .14758(3) N(51) .1910(10) .2800(10) .1299(6) C(52) .192(2) .3640(10) .1370(10) C(53) .319(2) .395(2) .1350(10) C(54) .392(2) .3150(10) .1360(10) C(55) .3050(10) .2500(10) .1102(9) O(56) .1030(10) .4127(9) .1481(7) C(57) .3230(10) .1560(10) .1367(9) O(58) .4230(10) .1200(10) .1418(7) O(59) .2252(9) .1117(8) .1477(6) N'(51) -.0830(10) .2381(8) .1508(6) C'(52) -.1360(10) .3040(10) .1227(9) C'(53) -.2680(10) .3020(10) .1280(10) C'(54) -.2920(10) .2070(10) .1501(9) C'(55) -.168(2) .1780(10) .1848(7) O'(56) -.0830(10) .3669(9) .0964(7) C'(57) -.135(2) .0880(10) .1807(9) O'(58) -.1960(10) .0243(9) .1929(7) O'(59) -.0206(9) .0735(8) .1679(6) N(60) .5670(10) .0395(9) .2395(7) N(61) .3550(10) .9580(10) .3948(7) N(62) 1.1670(10) .3420(10) .8839(8) N(63) .1590(10) .9330(10) .1911(9) N(64) -.0520(10) -.0370(10) .3446(9) O(65) .2340(10) .5690(10) .6198(9) H(131) .577 .493 .440 H(132) .581 .531 .368 H(141) .701 .382 .415 H(142) .739 .443 .358 H(15) .630 .369 .282 H'(131) -.018 .345 .294 H'(132) -.014 .338 .372 H'(141) .014 .197 .282 H'(142) -.029 .190 .355 H'(15) .160 .193 .398 H(231) .379 -.038 1.081 H(232) .412 -.097 1.021 H(241) .282 .059 1.014 H(242) .280 -.015 .960 H(25) .421 .050 .901 H'(231) 1.018 -.008 .968 H'(232) 1.032 .039 1.037 H'(241) 1.016 .120 .911 H'(242) 1.079 .158 .975 H'(25) .923 .215 1.011 H(331) .070 .000 .809 H(332) .092 -.022 .734 H(341) -.021 .132 .782 H(342) -.044 .089 .712 H(35) .104 .157 .667 H'(331) .719 .081 .731 H'(332) .711 .100 .808 H'(341) .716 .225 .705 H'(342) .779 .232 .775 H'(35) .604 .267 .826 H(431) -.095 .010 .588 H(432) -.116 .012 .510 H(441) -.184 .142 .601 H(442) -.250 .117 .534 H(45) -.139 .204 .472 H'(431) .507 .166 .456 H'(432) .521 .138 .531 H'(441) .490 .308 .481 H'(442) .568 .280 .543 H'(45) .414 .277 .610 H(531) .341 .431 .174 H(532) .339 .428 .096 H(541) .420 .305 .183 H(542) .463 .325 .111 H(55) .314 .250 .061 H'(531) -.310 .314 .087 H'(532) -.297 .343 .161 H'(541) -.312 .167 .114 H'(542) -.355 .201 .183 H'(55) -.168 .182 .232