#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/00/40/2004091.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_2004091 _journal_name_full 'Acta Crystallographica C' _journal_volume 51 _journal_year 1995 _journal_page_first 2282 _journal_page_last 2285 _publ_section_title ; Bis(acetato-O)bis(urea-O)zinc(II), [Zn(H~2~NCONH~2~)~2~(CH~3~COO)~2~] ; _chemical_formula_sum 'C6 H14 N4 O6 Zn' _chemical_formula_weight 303.58 _symmetry_cell_setting 'triclinic' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 7.467(2) _cell_length_b 8.161(3) _cell_length_c 10.717(2) _cell_angle_alpha 80.81(2) _cell_angle_beta 73.64(2) _cell_angle_gamma 71.71(2) _cell_volume 593.1 _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.700 _exptl_crystal_density_meas 1.690(10) _cell_measurement_temperature 297 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zn .23490(10) .25120(10) .24700(10) .0370(10) O(1) .1327(3) .4568(3) .1318(2) .0420(10) C(1) .2197(4) .5655(4) .0656(3) .0370(10) N(1) .3335(5) .6241(4) .1105(3) .0470(10) N(2) .1938(5) .6251(5) -.0525(3) .0530(10) O(2) .0018(3) .1727(3) .2619(2) .0490(10) C(2) -.0566(4) .0531(4) .3342(3) .0380(10) N(3) .0625(5) -.0982(4) .3597(3) .0490(10) N(4) -0.2475(5) .0781(5) .3849(4) .0570(10) O(3) .1992(4) .2694(3) .4341(2) .0560(10) C(3) .2808(5) .3745(4) .4513(3) .0430(10) O(5) .3812(6) .4374(6) .3584(3) .113(2) C(5) .2614(8) .4095(8) .5874(4) .0610(10) O(4) .4996(3) .1640(3) .1306(2) .0530(10) C(4) .5538(4) .0028(4) .1603(3) .0420(10) O(6) .4472(4) -.0659(4) .2457(4) .0910(10) C(6) .7505(6) -.0994(7) .0908(5) .0610(10) H(11) .356(5) .588(5) .176(4) .039(10) H(12) .391(5) .690(5) .065(4) .049(11) H(21) .127(6) .596(5) -.080(4) .059(13) H(22) .246(6) .689(5) -.096(4) .050(12) H(31) .175(6) -0.114(5) .336(4) .051(12) H(32) .023(5) -0.165(5) .406(4) .045(11) H(41) -0.316(6) .177(5) .366(4) .056(12) H(42) -0.288(6) .021(6) .443(4) .060(13) H(51) .267(9) .504(8) .596(6) .11(2) H(52) .142(8) .384(7) .640(5) .105(18) H(53) .367(10) .351(8) .612(6) .12(2) H(61) .793(7) -.050(6) .012(5) .087(17) H(62) .763(9) -0.210(8) .090(6) .14(3) H(63) .837(9) -.094(7) .128(6) .106(19) _cod_database_code 2004091