#------------------------------------------------------------------------------ #$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005289.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_2005289 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 1903 _journal_page_last 1906 _publ_section_title ; A New Bimetallic Complex of Ethylenediaminetetraacetic Acid: Ag[Cu(C~10~H~13~N~2~O~8~)(H~2~O)].H~2~O ; _chemical_formula_iupac 'Ag [Cu (C10 H13 N2 O8) (H2 O)] , H2 O' _chemical_formula_moiety 'C10 H15 Ag Cu N2 O9 , H2 O' _chemical_formula_sum 'C10 H17 Ag Cu N2 O10' _chemical_formula_weight 496.5 _symmetry_cell_setting monoclinic _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_cif_authors_sg_H-M 'P 21/n' loop_ _symmetry_equiv_pos_as_xyz x,y,z '1/2+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2-z' _cell_length_a 8.3490(7) _cell_length_b 17.725(2) _cell_length_c 10.129(2) _cell_angle_alpha 90 _cell_angle_beta 90.866(9) _cell_angle_gamma 90 _cell_volume 1498.7(3) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 2.201 _cell_measurement_temperature 293 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_u_iso_or_equiv Ag 1.02596(6) .04725(2) .11259(5) .0335(3) Cu .7371(1) .24042(5) .05721(8) .0237(5) O1 .7148(5) .2141(3) .2412(4) .034(3) O2 .5747(5) .1425(2) .3778(4) .031(2) O3 .8361(5) .1104(2) -.0034(4) .029(2) O4 .7462(5) .0183(2) -0.1342(5) .035(2) O5 .8147(5) .4152(3) .1204(5) .040(3) O6 .7025(6) .4887(3) .2681(6) .058(3) O7 .6230(5) .3418(2) -0.2839(4) .027(2) O8 .7324(5) .2726(2) -0.1261(4) .026(2) Ow1 .9646(5) .2716(2) .0847(4) .032(2) Ow2 .4344(6) .9973(3) .3646(4) .036(2) N1 .5406(5) .1713(3) .0229(4) .020(2) N2 .5428(5) .3357(3) .0664(5) .021(2) C1 .4020(7) .2197(3) -.0088(5) .023(3) C2 .3970(7) .2884(3) .0794(6) .025(3) C3 .5176(7) .1292(3) .1494(6) .025(3) C4 .6056(7) .1645(3) .2666(5) .021(3) C5 .5689(7) .1178(3) -.0854(6) .023(4) C6 .7313(7) .0791(3) -.0718(5) .025(3) C7 .5436(8) .3918(4) .1727(6) .032(4) C8 .6949(8) .4368(3) .1919(6) .031(3) C9 .5496(7) .3708(3) -.0644(6) .025(3) C10 .6423(7) .3246(3) -0.1643(6) .022(3) H105 .921(4) .433(3) .091(7) .05 H1w1 1.010(8) .222(2) .087(6) .05 H2w1 .991(9) .291(3) .000(3) .05 H1w2 .392(8) .996(3) .276(3) .05 H2w2 .450(9) 1.050(1) .383(5) .05 H1C1 .401(8) .236(3) -0.100(2) .04 H2C1 .315(5) .185(3) .008(5) .04 H1C2 .303(5) .318(3) .055(5) .04 H2C2 .391(7) .272(4) .170(2) .04 H1C3 .562(6) .079(1) .139(7) .04 H2C3 .405(3) .126(3) .174(6) .04 H1C5 .570(7) .150(3) -0.164(4) .04 H2C5 .476(5) .085(3) -.087(5) .04 H1C7 .534(7) .366(3) .257(3) .04 H2C7 .465(6) .432(3) .165(6) .04 H1C9 .601(6) .419(2) -.050(7) .04 H2C9 .440(3) .378(3) -.097(6) .04 _cod_database_code 2005289