#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000580.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_2000580 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1912 _journal_page_last 1912 loop_ _publ_author_name 'Averbuch-Pouchot, M.T.' 'Durif, A.' _chemical_formula_sum 'H26 N4 O20 P4 Te1' _chemical_formula_weight 653.712 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n' _symmetry_space_group_name_Hall ? _cell_length_a 7.651(2) _cell_length_b 21.790(10) _cell_length_c 6.689(2) _cell_angle_alpha 90. _cell_angle_beta 113.85(3) _cell_angle_gamma 90. _cell_volume 1020.0(10) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 2.128 _exptl_crystal_density_meas ? _exptl_crystal_F_000 652 _exptl_absorpt_coefficient_mu 0.997 _diffrn_radiation_type Ag _diffrn_radiation_wavelength 0.5608 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Te .0 .0 .0 P(1) .53030(10) .78307(4) .01560(10) P(2) .62690(10) .87860(3) .34550(10) O(1) .2736(3) .00410(10) .1386(4) O(2) .5283(3) .56020(10) .3058(4) O(3) .0070(3) .93490(10) .1943(4) O(E11) .8934(4) .68820(10) .3071(4) O(E21) .4441(3) .74790(10) .1443(4) O(E31) .6798(4) .74450(10) -.0341(4) O(E12) .7366(3) .43150(10) .1111(4) O(E22) .4202(3) .89460(10) .2678(4) O(E32) .6820(3) .83590(10) .5498(4) O(L12) .6626(3) .83710(10) .1664(3) N(1) .5767(4) .68370(10) .5463(5) N(2) .6392(4) .0666(2) .3292(5) H(1N1) .056(7) .792(3) .937(8) H(2N1) .835(3) .060(10) .168(9) H(3N1) .078(8) .792(3) .137(9) H(4N1) .507(9) .339(3) .430(10) H(1N2) .520(10) .042(3) .250(10) H(2N2) .890(10) .577(4) .040(10) H(3N2) .730(10) .050(4) .310(10) H(4N2) .629(9) .102(3) .250(10) H(1) .317(8) .963(3) .177(9) H(2) .062(8) .052(3) .325(9) H(3) .890(10) .938(3) .250(10) H(P1) .777(8) .221(3) .456(9) H(P2) .206(8) .194(3) .423(9)