#------------------------------------------------------------------------------ #$Date: 2015-10-14 18:05:04 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168768 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539750.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_1539750 loop_ _publ_author_name 'Chekhlov, A.N.' 'Martynov, I.V.' _publ_section_title ; Crystal structure of hydrazine hydrochloride ; _journal_name_full Kristallografiya _journal_page_first 1010 _journal_page_last 1011 _journal_volume 33 _journal_year 1988 _chemical_formula_sum 'Cl H5 N2' _chemical_name_systematic '(N2 H5) Cl' _space_group_IT_number 43 _symmetry_space_group_name_Hall 'F 2 -2d' _symmetry_space_group_name_H-M 'F d d 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 21.808 _cell_length_b 12.505 _cell_length_c 4.419 _cell_volume 1205.101 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Chekhlov_KRISAJ_1988_195.cif _cod_data_source_block H5Cl1N2 _cod_chemical_formula_sum_orig 'H5 Cl1 N2' _cod_database_code 1539750 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/4,y+1/4,z+1/4 x+3/4,-y+3/4,z+1/4 x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x+1/4,y+3/4,z+3/4 x+3/4,-y+5/4,z+3/4 x+1/2,y,z+1/2 -x+1/2,-y,z+1/2 -x+3/4,y+1/4,z+3/4 x+5/4,-y+3/4,z+3/4 x+1/2,y+1/2,z -x+1/2,-y+1/2,z -x+3/4,y+3/4,z+1/4 x+5/4,-y+5/4,z+1/4 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv N1 N-2 0.23747 0.10178 0.7501 1 0.0 H5 H+1 0.2038 0.01 0.432 1 0.0 H3 H+1 0.1521 0.039 0.674 1 0.0 H2 H+1 0.2219 0.161 0.87 1 0.0 N2 N-2 0.19062 0.06552 0.5452 1 0.0 H1 H+1 0.2734 0.136 0.64 1 0.0 Cl1 Cl-1 0.08329 0.04109 0 1 0.0 H4 H+1 0.1746 0.123 0.422 1 0.0