#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000426.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2000426 loop_ _publ_author_name 'Levason, W.' 'Webster, M.' 'Mitchell, C. J.' _publ_section_title ; Structure of trans-diiodobis(methyl phenyl telluride)platinum(II) ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1931 _journal_page_last 1933 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'C14 H16 I2 Pt Te2' _[local]_cod_chemical_formula_sum_orig 'C14 H16 I2 Pt1 Te2' _chemical_formula_weight 888.37 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'I 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 136.48(2) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 23.807(6) _cell_length_b 9.5480(10) _cell_length_c 24.192(6) _cell_volume 3786.7 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 _exptl_absorpt_coefficient_mu 13.72 _exptl_crystal_density_diffrn 3.116 _exptl_crystal_density_meas 3.04(2) _exptl_crystal_F_000 3104 _[local]_cod_data_source_file mu0295.cif _[local]_cod_data_source_block mu0295a _[local]_cod_cif_authors_sg_H-M 'I 2/a' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt(1) .26473(2) .46961(5) .07865(2) .03790(10) I(1) .16866(5) .25568(9) .02490(5) .0572(5) I(2) .36353(5) .68235(9) .14044(5) .0564(4) Te(1) .13821(5) .61957(9) .01082(5) .0565(4) Te(2) .39783(5) .32424(9) .17329(5) .0513(3) C(1) .1453(7) .6068(12) .1044(6) .050(5) C(2) .2152(7) .5707(15) .1804(6) .065(7) C(3) .2201(9) .5759(14) .2421(8) .069(7) C(4) .1508(10) .6144(14) .2226(8) .074(8) C(5) .0818(12) .6443(18) .1455(12) .107(12) C(6) .0782(10) .6429(18) .0853(9) .093(10) C(7) .1669(11) .8343(17) .0314(9) .092(10) C(8) .4136(7) .3443(13) .2732(6) .053(6) C(9) .4588(8) .4541(17) .3237(7) .076(8) C(10) .4616(9) .4714(18) .3829(8) .096(10) C(11) .4267(8) .3909(17) .3936(7) .072(8) C(12) .3793(10) .2826(18) .3415(9) .094(10) C(13) .3749(10) .2593(17) .2793(8) .084(9) C(14) .3693(9) .1077(15) .1552(8) .074(7) H(2) .2612 .5417 .1923 ? H(3) .2696 .5537 .2959 ? H(4) .1523 .6195 .2629 ? H(5) .0339 .6670 .1316 ? H(6) .0292 .6671 .0317 ? H(7A) .1690 .8723 -.0038 ? H(7B) .2207 .8510 .0861 ? H(7C) .1288 .8883 .0252 ? H(9) .4867 .5152 .3190 ? H(10) .4918 .5487 .4183 ? H(11) .4338 .4066 .4372 ? H(12) .3502 .2247 .3458 ? H(13) .3443 .1830 .2432 ? H(14A) .3590 .0721 .1114 ? H(14B) .3210 .0909 .1425 ? H(14C) .4128 .0545 .2021 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Pt(1) I(1) 2.6040(10) Pt(1) I(2) 2.6070(10) Te(1) C(1) 2.150(10) Te(1) C(7) 2.10(2) C(1) C(2) 1.350(10) C(2) C(3) 1.41(2) C(3) C(4) 1.40(2) C(4) C(5) 1.35(2) C(5) C(6) 1.40(2) C(6) C(1) 1.35(2) Pt(1) Te(1) 2.5780(10) Pt(1) Te(2) 2.5860(10) Te(2) C(8) 2.170(10) Te(2) C(14) 2.12(2) C(8) C(9) 1.36(2) C(9) C(10) 1.39(2) C(10) C(11) 1.29(2) C(11) C(12) 1.37(2) C(12) C(13) 1.45(2) C(13) C(8) 1.31(2) loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle I(1) Pt(1) I(2) 176.60(10) Te(1) Pt(1) Te(2) 167.80(10) I(1) Pt(1) Te(1) 85.40(10) Pt(1) Te(1) C(1) 97.7(3) Pt(1) Te(1) C(7) 111.2(5) C(1) Te(1) C(7) 92.4(5) Te(1) C(1) C(2) 121.7(9) Te(1) C(1) C(6) 117.2(9) I(1) Pt(1) Te(2) 95.10(10) I(2) Pt(1) Te(1) 94.80(10) I(2) Pt(1) Te(2) 83.90(10) Pt(1) Te(2) C(8) 92.9(3) Pt(1) Te(2) C(14) 109.7(4) C(8) Te(2) C(14) 95.0(5) Te(2) C(8) C(9) 117.1(10) Te(2) C(8) C(13) 120.2(10) _cod_database_code 2000426