#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507774.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_paper_doi               10.1154/1.3661981
_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
_cod_data_source_file            PD-2011-26-4-313.cif
_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