#------------------------------------------------------------------------------ #$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2100106.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_2100106 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 2005 _journal_volume 61 _journal_page_first 359 _journal_page_last 359 loop_ _publ_author_name 'Richard E. Marsh' _publ_section_title ; Space group P1: an update ; _chemical_formula_sum 'not given' _symmetry_space_group_name_H-M 'P -1' _space_group_crystal_system triclinic _cell_length_a 9.0450 _cell_length_b 9.6580 _cell_length_c 9.9490 _cell_angle_alpha 66.18 _cell_angle_beta 68.22 _cell_angle_gamma 69.59 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_type_symbol Ag1 0.34949 0.75238 0.74730 Ag N1 0.57080 0.63890 0.82145 N C1 0.58915 0.67635 0.93025 C H1 0.51045 0.75675 0.96330 H C2 0.71765 0.60225 0.99435 C H2 0.72565 0.63100 1.06955 H C3 0.83370 0.48510 0.94530 C H3 0.92275 0.43270 0.98620 H C4 0.81715 0.44515 0.83380 C H4 0.89560 0.36545 0.79945 H C5 0.68510 0.52310 0.77335 C C6 0.65905 0.48395 0.65260 C H5 0.62780 0.57995 0.57460 H H6 0.56900 0.43265 0.69860 H C7 0.80945 0.37925 0.57695 C H7 0.89895 0.43155 0.52730 H H8 0.84305 0.28395 0.65455 H C8 0.77510 0.33915 0.45930 C H9 0.74435 0.43480 0.38075 H H10 0.68265 0.29080 0.50880 H C9 0.91915 0.23090 0.38465 C C10 1.07250 0.18125 0.41050 C H11 1.09105 0.21245 0.47870 H C11 1.19775 0.08525 0.33470 C H12 1.30010 0.04920 0.35315 H C12 1.16845 0.04325 0.23195 C H13 1.25185 -0.01795 0.17685 H C13 1.01550 0.09345 0.21230 C H14 0.99590 0.06350 0.14390 H N2 0.88965 0.18515 0.28755 N Cl1 0.68310 0.86935 0.25060 Cl O1 0.72305 1.00335 0.12905 O O2 0.56645 0.82575 0.22740 O O3 0.61895 0.90860 0.38540 O O4 0.81660 0.74725 0.24945 O