#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005121.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_2005121 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume 'C52' _journal_page_first 1645 _journal_page_last 1648 _publ_section_title ; 2,2':6',2''-Terpyridine(1-methylimidazole-N^3^)platinum(II) Perchlorate Acetonitrile Solvate ; _chemical_formula_iupac '[Pt(C15 H11 N3)(C4 H6 N2)](Cl O4)2 , C2 H3 N' _chemical_formula_moiety 'C19 H17 N5 Pt, 2(Cl O4), C2 H3 N' _chemical_formula_sum 'C21 H20 Cl2 N6 O8 Pt' _chemical_formula_structural ; [Pt(C~15~H~11~N~3~)(C~4~H~6~N~2~)](ClO~4~)~2~.C~2~H~3~N ; _chemical_formula_weight 750.42 _symmetry_cell_setting 'monoclinic' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _symmetry_space_group_name_H-M 'P 21 /c' _cell_length_a 15.754(4) _cell_length_b 11.468(4) _cell_length_c 15.084(3) _cell_angle_alpha 90.00 _cell_angle_beta 108.97(2) _cell_angle_gamma 90.00 _cell_volume 2577.2(12) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.934 _cell_measurement_temperature 293(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt 1 .22521(2) .21900(3) .41475(2) .05541(13) N1 1 .2602(4) .3577(6) .3521(5) .060(2) N2 1 .1758(4) .3432(7) .4707(5) .060(2) N3 1 .1724(4) .1202(7) .4952(4) .059(2) N4 1 .2766(4) .0887(6) .3576(4) .055(2) N5 1 .3700(5) -.0297(7) .3260(5) .070(2) C1 1 .3039(6) .3580(9) .2881(6) .070(2) H1 1 .3226 .2875 .2703 .083 C2 1 .3210(6) .4576(9) .2497(7) .076(3) H2 1 .3503 .4548 .2052 .092 C3 1 .2958(7) .5618(10) .2753(8) .091(3) H3 1 .3081 .6306 .2491 .109 C4 1 .2517(6) .5646(8) .3408(7) .074(3) H4 1 .2339 .6352 .3594 .089 C5 1 .2346(5) .4617(8) .3779(6) .061(2) C6 1 .1845(5) .4516(8) .4480(6) .064(2) C7 1 .1534(6) .5410(9) .4874(7) .075(3) H7 1 .1600 .6182 .4718 .090 C8 1 .1108(6) .5122(10) .5529(7) .081(3) H8 1 .0887 .5709 .5819 .097 C9 1 .1018(6) .3991(11) .5741(6) .079(3) H9 1 .0736 .3806 .6177 .095 C10 1 .1335(6) .3128(9) .5326(6) .065(3) C11 1 .1310(6) .1855(8) .5454(6) .065(2) C12 1 .0916(6) .1333(11) .6024(7) .080(3) H12 1 .0652 .1787 .6374 .095 C13 1 .0901(6) .0132(12) .6092(7) .090(3) H13 1 .0617 -0.0234 .6468 .108 C14 1 .1321(7) -.0497(10) .5585(7) .083(3) H14 1 .1333 -0.1307 .5629 .099 C15 1 .1724(6) .0040(8) .5013(6) .068(2) H15 1 .1999 -0.0406 .4668 .081 C16 1 .3635(6) .0644(7) .3721(6) .063(2) H16 1 .4118 .1081 .4093 .075 C17 1 .2842(7) -.0705(9) .2788(7) .077(3) H17 1 .2689 -0.1363 .2409 .092 C18 1 .2286(6) .0034(7) .2990(6) .063(2) H18 1 .1663 -0.0018 .2766 .076 C19 1 .4544(7) -.0848(10) .3283(8) .101(3) H19A 1 .4743 -0.0522 .2799 .121 H19B 1 .4454 -0.1672 .3184 .121 H19C 1 .4989 -0.0711 .3883 .121 N6 1 .3572(10) .1806(15) .1484(8) .158(6) C20 1 .4013(8) .1374(13) .1199(9) .099(4) C21 1 .4539(9) .0727(13) .0778(10) .140(5) H21A 1 .5060 .0430 .1255 .168 H21B 1 .4724 .1221 .0361 .168 H21C 1 .4193 .0088 .0432 .168 Cl1 1 -.04405(15) .2742(2) .2579(2) .0654(5) O11 1 .0026(5) .3805(7) .2847(5) .107(3) O12 1 -.0938(5) .2815(7) .1611(5) .114(3) O13 1 -0.1057(7) .2552(7) .3060(7) .119(3) O14 1 .0156(6) .1827(7) .2684(7) .128(3) Cl2 1 .3912(2) -0.2226(3) .5719(2) .0830(7) O21A .550(9) .3657(17) -0.255(2) .4745(13) .190(4) O22A .550(9) .4760(13) -0.2696(19) .6209(17) .190(4) O23A .550(9) .3935(16) -.0972(14) .5749(17) .190(4) O24A .550(9) .3246(15) -0.258(2) .6038(17) .190(4) O21B .450(9) .3378(17) -0.3180(19) .5705(19) .190(4) O22B .450(9) .4232(17) -0.176(2) .6661(13) .190(4) O23B .450(9) .3580(18) -0.128(2) .5120(18) .190(4) O24B .450(9) .4656(16) -0.260(2) .549(2) .190(4)