#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000752.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_2000752 loop_ _publ_author_name 'Chen, C.' 'Xu, D.' 'Xu, Y.' 'Cheng, C.' 'Ling, R.' _publ_section_title ; Structure of catena-poly[{(2,2'-bipyridyl)(diperchlorato)copper(II)}-\m-4,4'-bipyridyl] ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1231 _journal_page_last 1233 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'C20 H16 Cl2 Cu N4 O8' _[local]_cod_chemical_formula_sum_orig 'C20 H16 Cl2 Cu1 N4 O8' _chemical_formula_weight 574.5 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.413(3) _cell_length_b 14.645(3) _cell_length_c 12.287(2) _cell_volume 2233.6(8) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 _exptl_absorpt_coefficient_mu 1.312 _exptl_crystal_density_diffrn 1.708 _exptl_crystal_F_000 1164 _[local]_cod_data_source_file as0546.cif _[local]_cod_data_source_block as0546a loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu .0 .19151(5) .25 Cl .29770(10) .18700(10) .19910(10) O(1) .1883(4) .1834(5) .1749(5) O(2) .3391(7) .1000(4) .1954(6) O(3) .3466(7) .2431(5) .1281(7) O(4) .3000(5) .2209(4) .3094(5) N(1) .0524(3) .0892(3) .3428(3) N(2) .0279(4) .2910(3) .3600(3) C(1) .0358(4) .0058(3) .3018(4) C(2) .0801(5) -.0729(4) .3443(5) C(3) .1428(5) -.0638(4) .4352(6) C(4) .1589(5) .0203(4) .4815(5) C(5) .1125(5) .0962(4) .4324(4) C(6) .0890(5) .3633(4) .3333(5) C(7) .0798(4) .4464(3) .3865(5) C(8) .0072(5) .4556(3) .4723(4) C(9) -.0496(5) .3782(3) .5035(5) C(10) -.0372(5) .2987(3) .4449(4) H(2) .0688 -.1346 .3240 H(3) .1773 -.1191 .4696 H(4) .2028 .0262 .5509 H(5) .1259 .1594 .4658 H(6) .1436 .3568 .2708 H(7) .1259 .5002 .3641 H(9) -.1000 .3803 .5689 H(10) -.0811 .2435 .4681 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Cu O(1) 2.516(7) Cu N(2) 2.017(4) N(1) C(5) 1.334(7) N(2) C(10) 1.324(7) C(1) C(2) 1.379(8) C(3) C(4) 1.371(9) C(6) C(7) 1.386(8) C(9) C(10) 1.376(9) Cl O(2) 1.375(8) Cl O(4) 1.444(6) Cu N(1) 1.992(4) N(1) C(1) 1.337(7) N(2) C(6) 1.343(7) C(2) C(3) 1.368(9) C(4) C(5) 1.390(9) C(7) C(8) 1.393(8) C(8) C(9) 1.389(8) Cl O(1) 1.390(8) Cl O(3) 1.344(9) _cod_database_code 2000752