#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$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/. 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_2001851 loop_ _publ_author_name 'Hoang, N. N.' 'Valach, F.' 'Meln\'ik, M.' _publ_section_title ; Structure of tetrakis(\m-acetato)-bis(4-pyridylmethanol)dicopper(II) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 467 _journal_page_last 469 _journal_volume 49 _journal_year 1993 _chemical_formula_sum 'C20 H26 Cu2 N2 O10' _chemical_formula_weight 581.53 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 91.4070(10) _cell_angle_beta 98.2470(10) _cell_angle_gamma 114.242(3) _cell_formula_units_Z 1 _cell_length_a 7.301(4) _cell_length_b 8.216(4) _cell_length_c 10.709(5) _cell_volume 577.27 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 _exptl_absorpt_coefficient_mu 1.90 _exptl_crystal_density_diffrn 1.67 _exptl_crystal_density_meas 1.63 _exptl_crystal_F_000 298 _[local]_cod_data_source_file al0509.cif _[local]_cod_data_source_block al0509_structure_1_of_1 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 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Cu N 2.160(3) Cu O(1) 1.962(4) Cu O(2) 1.975(4) Cu O(3) 1.992(3) Cu O(4) 1.999(3) C(7) O(3) 1.276(5) C(7) O(4) 1.246(5) C(7) C(8) 1.513(6) C(9) O(1) 1.250(6) C(9) O(2) 1.262(5) C(9) C(10) 1.503(8) N C(1) 1.347(7) N C(5) 1.341(7) C(1) C(2) 1.372(6) C(2) C(3) 1.384(9) C(3) C(4) 1.384(7) C(3) C(6) 1.498(7) C(4) C(5) 1.388(6) C(6) O(5) 1.391(9) _cod_database_code 2001851