#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507771.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_1507771 loop_ _publ_author_name 'Stephens, P W' 'Kaduk, J A' 'Blanton, T N' 'Whitcomb, D R' 'Misture, S T' 'Rajeswraran, M' _publ_section_title ; Structure determination of the silver carboxylate dimer [Ag(O2C20H39)]2, silver arachidate, using powder X-ray diffraction methods ; _journal_name_full ; Powder Diffraction ; _journal_page_first 99 _journal_page_last 103 _journal_paper_doi 10.1017/S0885715612000309 _journal_volume 27 _journal_year 2012 _chemical_formula_sum 'C20 H39 Ag O2' _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 89.473(15) _cell_angle_beta 87.617(5) _cell_angle_gamma 76.329(5) _cell_formula_units_Z 2 _cell_length_a 4.1519(10) _cell_length_b 4.7055(10) _cell_length_c 53.555(4) _cell_measurement_temperature 293(2) _cell_volume 1015.8(3) _diffrn_ambient_temperature 293(2) _cod_data_source_file AgAra.cif _cod_data_source_block AgAra _cod_database_code 1507771 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ag1 0.2423 -0.1745 0.0137 0.0475 O1 -0.3505 0.3925 0.0237 0.0475 O2 0.0050 0.0693 0.0471 0.0475 C1 -0.2269 0.2974 0.0447 0.0475 C2 -0.3653 0.4753 0.0677 0.0475 C3 -0.4197 0.2953 0.0907 0.0475 C4 -0.5695 0.4896 0.1129 0.0475 C5 -0.6396 0.3200 0.1361 0.0475 C6 -0.7842 0.5157 0.1583 0.0475 C7 -0.8628 0.3488 0.1814 0.0475 C8 -1.0108 0.5469 0.2035 0.0475 C9 -1.0872 0.3823 0.2268 0.0475 C10 -1.2230 0.5814 0.2490 0.0475 C11 -1.2941 0.4177 0.2725 0.0475 C12 -1.4237 0.6167 0.2949 0.0475 C13 -1.4940 0.4524 0.3183 0.0475 C14 -1.6226 0.6505 0.3408 0.0475 C15 -1.6951 0.4850 0.3641 0.0475 C16 -1.8280 0.6825 0.3864 0.0475 C17 -1.9024 0.5171 0.4097 0.0475 C18 -2.0506 0.7165 0.4316 0.0475 C19 -2.1168 0.5528 0.4552 0.0475 C20 -2.2631 0.7562 0.4769 0.0475 H2a -0.1890 0.6097 0.0717 0.0475 H2b -0.5969 0.6303 0.0631 0.0475 H3a -0.5849 0.1537 0.0861 0.0475 H3b -0.1824 0.1493 0.0956 0.0475 H4a -0.4027 0.6304 0.1176 0.0475 H4b -0.8021 0.6402 0.1075 0.0475 H5a -0.4087 0.1659 0.1414 0.0475 H5b -0.8110 0.1834 0.1315 0.0475 H6a -1.0124 0.6722 0.1528 0.0475 H6b -0.6108 0.6497 0.1631 0.0475 H7a -0.6346 0.1937 0.1871 0.0475 H7b -1.0347 0.2135 0.1766 0.0475 H8a -1.2395 0.7015 0.1978 0.0475 H8b -0.8388 0.6829 0.2081 0.0475 H9a -0.8594 0.2238 0.2321 0.0475 H9b -1.2646 0.2506 0.2224 0.0475 H10a -1.4520 0.7390 0.2438 0.0475 H10b -1.0457 0.7141 0.2531 0.0475 H11a -1.0656 0.2582 0.2776 0.0475 H11b -1.4739 0.2870 0.2685 0.0475 H12a -1.6524 0.7763 0.2899 0.0475 H12b -1.2437 0.7471 0.2989 0.0475 H13a -1.2655 0.2924 0.3233 0.0475 H13b -1.6743 0.3223 0.3144 0.0475 H14a -1.8505 0.8114 0.3358 0.0475 H14b -1.4417 0.7794 0.3449 0.0475 H15a -1.4670 0.3252 0.3692 0.0475 H15b -1.8743 0.3547 0.3599 0.0475 H16a -2.0559 0.8420 0.3813 0.0475 H16b -1.6494 0.8131 0.3908 0.0475 H17a -1.6726 0.3643 0.4154 0.0475 H17b -2.0731 0.3795 0.4052 0.0475 H18a -2.2841 0.8654 0.4261 0.0475 H18b -1.8834 0.8586 0.4358 0.0475 H19a -1.8835 0.4040 0.4608 0.0475 H19b -2.2848 0.4114 0.4512 0.0475 H20a -2.5008 0.9021 0.4722 0.0475 H20b -2.0965 0.8953 0.4817 0.0475 H20c -2.3079 0.6347 0.4938 0.0475