#------------------------------------------------------------------------------ #$Date: 2012-07-05 15:30:46 +0300 (Thu, 05 Jul 2012) $ #$Revision: 62028 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507774.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_1507774 loop_ _publ_author_name 'Blanton, T N' 'Rajeswraran, M' 'Stephens, P W' 'Whitcomb, D R' 'Misture, S T' 'Kaduk, J A' _publ_section_title ; Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods ; _journal_name_full ; Powder Diffraction ; _journal_page_first 313 _journal_page_last 320 _journal_volume 26 _journal_year 2011 _chemical_formula_sum 'C22 H43 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 89.440(3) _cell_angle_beta 89.634(5) _cell_angle_gamma 75.854(1) _cell_formula_units_Z 2 _cell_length_a 4.1769(2) _cell_length_b 4.7218(2) _cell_length_c 58.3385(1) _cell_measurement_temperature 293 _cell_volume 1115.63(7) _diffrn_ambient_temperature 293 _[local]_cod_data_source_file PD-2011-26-4-313.cif _[local]_cod_data_source_block C22H43AgO2 _cod_database_code 1507774 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 Ag1A 1.2324(12) 0.7789(11) 0.01139(6) 0.142(2) O1 1.6774(12) 0.3673(11) 0.02171(6) 0.02(1) O2 2.0494(19) 0.0465(20) 0.04344(7) 0.02(1) C1 1.8095(14) 0.2711(15) 0.04108(6) 0.01(1) C2 1.6762(11) 0.4414(15) 0.06222(6) 0.01(1) C3 1.6350(14) 0.2509(14) 0.08281(7) 0.01(2) C4 1.5066(11) 0.4337(14) 0.10387(6) 0.01(1) C5 1.4373(14) 0.2613(13) 0.12477(6) 0.01(1) C6 1.2962(11) 0.4610(13) 0.14469(6) 0.01(1) C7 1.2182(14) 0.3002(12) 0.16595(6) 0.01(2) C8 1.0817(10) 0.5051(12) 0.18570(6) 0.01(1) C9 1.0099(13) 0.3478(11) 0.20745(6) 0.01(1) C10 0.8817(10) 0.5515(11) 0.22747(6) 0.01(2) C11 0.8035(12) 0.3899(10) 0.24872(6) 0.01(1) C12 0.6866(10) 0.5880(11) 0.26921(6) 0.01(1) C13 0.6236(12) 0.4202(10) 0.29063(6) 0.01(1) C14 0.4889(10) 0.6116(10) 0.31108(6) 0.01(1) C15 0.4181(12) 0.4407(10) 0.33209(6) 0.01(1) C16 0.2774(11) 0.6390(10) 0.35218(6) 0.01(1) C17 0.2097(11) 0.4781(9) 0.37390(6) 0.01(1) C18 0.0698(11) 0.6804(9) 0.39381(6) 0.01(1) C19 -0.0051(11) 0.5188(9) 0.41521(6) 0.01(1) C20 -0.1450(11) 0.7224(9) 0.43506(6) 0.01(1) C21 -0.2096(11) 0.5633(9) 0.45698(6) 0.01(1) C22 -0.3462(12) 0.7679(9) 0.47675(6) 0.01(1) H2A 1.8516 0.5740 0.0663 0.05 H2B 1.4419 0.5966 0.0581 0.05 H3A 1.8725 0.0969 0.0867 0.05 H3B 1.4630 0.1174 0.0782 0.05 H4A 1.6829 0.5628 0.1086 0.05 H4B 1.2769 0.5961 0.0993 0.05 H5A 1.6663 0.1041 0.1302 0.05 H5B 1.2645 0.1282 0.1202 0.05 H6A 1.4706 0.5930 0.1492 0.05 H6B 1.0697 0.6200 0.1391 0.05 H7A 1.4436 0.1402 0.1716 0.05 H7B 1.0409 0.1709 0.1615 0.05 H8A 1.2576 0.6381 0.1896 0.05 H8B 0.8541 0.6626 0.1801 0.05 H9A 1.2362 0.1866 0.2128 0.05 H9B 0.8296 0.2194 0.2035 0.05 H10A 1.0656 0.6744 0.2318 0.05 H10B 0.6583 0.7170 0.2222 0.05 H11A 1.0251 0.2200 0.2536 0.05 H11B 0.6146 0.2720 0.2444 0.05 H12A 0.8712 0.7123 0.2730 0.05 H12B 0.4591 0.7526 0.2646 0.05 H13A 0.8549 0.2634 0.2957 0.05 H13B 0.4501 0.2863 0.2864 0.05 H14A 0.6636 0.7425 0.3157 0.05 H14B 0.2598 0.7710 0.3060 0.05 H15A 0.6469 0.2827 0.3374 0.05 H15B 0.2445 0.3089 0.3274 0.05 H16A 0.4481 0.7762 0.3563 0.05 H16B 0.0468 0.7932 0.3466 0.05 H17A 0.4404 0.3241 0.3795 0.05 H17B 0.0383 0.3413 0.3699 0.05 H18A 0.2440 0.8127 0.3983 0.05 H18B -0.1579 0.8386 0.3883 0.05 H19A 0.2225 0.3612 0.4208 0.05 H19B -0.1794 0.3862 0.4108 0.05 H20A 0.0260 0.8601 0.4390 0.05 H20B -0.3764 0.8755 0.4295 0.05 H21A 0.0220 0.4102 0.4624 0.05 H21B -0.3808 0.4259 0.4531 0.05 H22A -0.1738 0.8990 0.4817 0.05 H22B -0.5810 0.9206 0.4721 0.05 H22C -0.3916 0.6459 0.4921 0.05