#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000843.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_2000843 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1992 _journal_volume 48 _journal_page_first 1105 _journal_page_last 1107 loop_ _publ_author_name 'Kumar, N.R.S.' 'Nethaji, M.' _chemical_formula_sum 'Cl4 Fe1 H14 N4 O2' _symmetry_cell_setting monoclinic _symmetry_space_group_name_h-m 'P 1 21/c 1' _symmetry_space_group_name_hall '-P 2ybc' _cell_length_a 8.0270(10) _cell_length_b 5.725(2) _cell_length_c 11.430(2) _cell_angle_alpha 90. _cell_angle_beta 97.080(10) _cell_angle_gamma 90. _cell_volume 521.3(2) _cell_formula_units_z 2 _exptl_crystal_density_diffrn 1.910 _exptl_crystal_density_meas 1.92 _exptl_crystal_f_000 304 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe .00000 .00000 .00000 N1 .2098(2) -.1576(2) .11890(10) N2 .3021(2) -.3565(2) .08310(10) Cl1 -.00858(5) -.31310(10) -.14494(3) Cl2 .46301(5) -.31440(10) .35879(3) O1 .18990(10) .1856(2) -.08370(10) H11 .274(3) -.051(4) .133(2) H12 .182(3) -.196(4) .180(2) H21 .377(4) -.417(6) .137(3) H22 .342(4) -.344(6) .014(3) H23 .228(4) -.475(4) .068(3) H11w .270(3) .110(6) -.098(3) H12w .146(4) .242(6) -.142(3)