#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000426.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_2000426 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1931 _journal_page_last 1933 loop_ _publ_author_name 'Levason, W.' 'Webster, M.' 'Mitchell, C.J.' _chemical_formula_sum 'C14 H16 I2 Pt1 Te2' _chemical_formula_weight 888.37 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'I 2/a' _symmetry_space_group_name_Hall ? _cell_length_a 23.807(6) _cell_length_b 9.5480(10) _cell_length_c 24.192(6) _cell_angle_alpha 90. _cell_angle_beta 136.48(2) _cell_angle_gamma 90. _cell_volume 3786.7 _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 3.116 _exptl_crystal_density_meas 3.04(2) _exptl_crystal_F_000 3104 _exptl_absorpt_coefficient_mu 13.72 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 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 ?