#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2000306.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_2000306 loop_ _publ_author_name 'Gou, S.-H.' 'You, X.-Z.' 'Xu, Z.' 'Zhou, Z.-Y.' 'Yu, K.-B.' 'Yu, Y.-P.' 'Zhu, D.-L.' _publ_section_title ; Structure of catena-poly{bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-\k^2^O,O']copper-\m-(4,4'-bipyridine)-\kN:\kN'}--N,N-dimethylformamide (1/2) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1303 _journal_page_last 1305 _journal_volume 47 _journal_year 1991 _chemical_formula_sum 'C32 H30 Cu F6 N4 O6 S2' _[local]_cod_chemical_formula_sum_orig 'Cu1 C32 H30 F6 O6 S2 N4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 73.400(10) _cell_angle_beta 65.410(10) _cell_angle_gamma 69.290(10) _cell_formula_units_Z 1 _cell_length_a 9.637(2) _cell_length_b 9.820(2) _cell_length_c 11.505(2) _cell_volume 913.76(3) _diffrn_radiation_type mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu .782 _exptl_crystal_density_diffrn 1.469 _exptl_crystal_F_000 413 _[local]_cod_data_source_file li0049.cif _[local]_cod_data_source_block li0049a _[local]_cod_cif_authors_sg_H-M P-1 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu 0 0 0 S .3101(2) -.4964(2) .0163(3) F1 -.4720(6) -.2560(6) .2650(8) F2 -.5188(6) -.0577(7) .1431(7) F3 -.4892(8) -.0626(10) .3138(7) N1 -.0009(7) -.0095(6) .1937(6) N2 .6861(13) .6250(10) .5519(9) O1 .0853(5) -.2176(4) .0174(4) O2 -.2316(5) -.0223(5) .0869(5) O3 .7431(11) .4308(8) .4590(9) C1 .3399(10) -.6808(8) .0729(9) C2 .2070(10) -.7180(7) .1474(9) C3 .0694(8) -.5978(7) .1641(8) C4 .1090(7) -.4653(7) .0967(7) C5 .0102(7) -.3132(7) .0860(6) C6 -.1524(8) -.2842(7) .1488(7) C7 -.2575(8) -.1443(7) .1430(7) C8 -.4351(9) -.1328(8) .2185(9) C9 .1093(8) -.1055(8) .2400(8) C10 .1134(8) -.1064(8) .3594(8) C11 -.0008(8) -.0022(7) .4372(7) C12 -.1152(9) .0976(8) .3867(8) C13 -.1118(9) .0906(8) .2667(8) C14 .700(3) .5273(18) .4950(16) C15 .789(2) .712(2) .5229(19) C16 .535(2) .659(3) .6536(18) H1 .4425 -.7506 .0528 H3 -.0364 -.6056 .2150 H6 -.1955 -.3658 .1995 H2 .1990 -.8134 .1714 H9 .2226 -.1784 .1663 H10 .2005 -.1763 .3968 H12 -.2156 .1632 .4492 H13 -.2264 .1547 .2283 _cod_database_code 2000306