#------------------------------------------------------------------------------ #$Date: 2008-11-20 21:58:43 +0200 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2001851.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_2001851 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1993 _journal_volume 49 _journal_page_first 467 _journal_page_last 469 loop_ _publ_author_name 'Hoang, N.N.' 'Valach, F.' 'Melnik, M.' _chemical_formula_moiety ? _chemical_formula_sum 'C20 H26 Cu2 N2 O10' _chemical_formula_weight 581.53 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _cell_length_a 7.301(4) _cell_length_b 8.216(4) _cell_length_c 10.709(5) _cell_angle_alpha 91.4070(10) _cell_angle_beta 98.2470(10) _cell_angle_gamma 114.242(3) _cell_volume 577.27 _cell_formula_units_Z 1 _exptl_crystal_density_diffrn 1.67 _exptl_crystal_density_meas 1.63 _exptl_crystal_F_000 298 _exptl_absorpt_coefficient_mu 1.90 _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 Cu .13287(8) .53911(7) .60644(5) N .3673(6) .6161(5) .7722(3) O(1) .0338(5) .7211(5) .6425(3) O(2) .1872(5) .3413(4) .5375(3) O(3) -.0928(5) .3609(5) .6817(3) O(4) .3144(5) .7052(5) .4981(3) O(5) 1.0173(6) .7600(6) 1.0782(4) C(1) .3638(8) .7152(7) .8732(5) C(2) .5211(9) .7787(7) .9740(4) C(3) .6890(8) .7396(6) .9782(4) C(4) .6885(7) .6322(7) .8764(4) C(5) .5275(7) .5749(6) .7755(4) C(6) .8603(9) .8114(8) 1.0885(5) C(7) .2694(6) .7246(5) .3844(4) C(8) .4350(7) .8569(7) .3214(5) C(9) -.0998(6) .7456(6) .5689(4) C(10) -.1602(8) .8906(6) .6091(5) H(1) .2365 .7552 .8713 H(2) .5187 .8625 1.0528 H(3) .8166 .5936 .8789 H(4) .5314 .4893 .6994 H(5) .8025 .7720 1.1785 H(6) .9235 .9607 1.0969 H(7) 1.1381 .8151 1.1592 H(8) .5748 .9208 .3875 H(9) .3886 .9600 .2847 H(10) .4617 .7898 .2412 H(12) -.0285 1.0191 .6220 H(13) -.2180 .8641 .6973