#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2005892.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_2005892 _journal_name_full 'Acta Crystallographica' _journal_year 1997 _journal_volume C53 _journal_page_first 128 _journal_page_last 130 _publ_section_title ; Diguanidinium Hexafluorosilicate ; _chemical_formula_moiety '[C(NH~2~)~3~]~2~SiF~6~' _chemical_formula_sum 'C2 H12 F6 N6 Si' _chemical_formula_structural '[NH~2~C(NH~2~)~2~]~2~^+^SiF~6~^2-^' _chemical_formula_analytical ? _chemical_formula_weight 262.27 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _symmetry_space_group_name_H-M 'C 2/m' _cell_length_a 12.600(3) _cell_length_b 7.258(1) _cell_length_c 6.162(1) _cell_angle_alpha 90.00 _cell_angle_beta 114.49(3) _cell_angle_gamma 90.00 _cell_volume 512.8(2) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.698 _cell_measurement_temperature 293(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si 1 0.0000 0.0000 0.0000 0.0276(2) F1 1 -0.01623(6) 0.16438(11) 0.1766(2) 0.0415(2) F2 1 0.14496(8) 0.0000 0.1630(2) 0.0385(3) N2 1 0.61924(15) 0.0000 0.2735(4) 0.0408(4) C1 1 0.72359(14) 0.0000 0.2692(3) 0.0293(3) N1 1 0.77580(11) 0.1579(2) 0.2703(2) 0.0371(3) H11 1 0.7393(14) 0.2556(28) 0.2556(29) 0.051(5) H12 1 0.8419(17) 0.1556(30) 0.2662(32) 0.064(6) H21 1 0.5849(15) -.1035(29) 0.2572(30) 0.058(5)