#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000227.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_2000227 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 2203 _journal_page_last 2205 loop_ _publ_author_name 'Wang, J.-L.' 'Sun, M.' 'Miao, F.-M.' 'Wu, S.-Y.' 'Gong, F.-S.' 'Duan, X.-H.' _chemical_formula_sum 'C22 H36 Ag2 N8 S4' _chemical_formula_weight 756.56 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _cell_length_a 12.032(3) _cell_length_b 7.288(4) _cell_length_c 16.933(4) _cell_angle_alpha 90 _cell_angle_beta 90.44(4) _cell_angle_gamma 90 _cell_volume 1485(2) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.691 _exptl_crystal_density_meas ? _exptl_crystal_F_000 764 _exptl_absorpt_coefficient_mu 1.6035 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ag(1) -.04749(4) .16743(5) -.03575(3) S(1) .16871(9) .11540(10) .03363(7) S(2) -.02670(10) .3631(2) -.15426(6) N(1) .3253(4) -.0024(5) -.0773(3) N(2) -.0670(4) .3304(8) .0801(3) N(11) .4047(2) -.3645(3) -.10100(10) N(12) .5686(2) -.5428(3) -.08200(10) C(1) .2609(3) .0408(4) -.0314(3) C(2) .0282(3) .5418(6) -.1093(2) C(10) .3291(2) -.4324(4) .0360(2) C(11) .3342(2) -.4874(4) -.0510(2) C(12) .3994(2) -.4163(5) -.1879(2) C(13) .4558(3) -.6020(5) -.1999(2) C(14) .5750(2) -.6134(5) -.1643(2) C(21) .2806(3) -.4131(8) -.2197(2) C(22) .6043(4) -.8172(5) -.1622(3) C(23) .6593(3) -.5140(8) -.2160(2) C(00) .5254(2) -.3608(3) -.0783(2) H(001) .525(4) -.325(7) -.025(3) H(002) .566(4) -.275(6) -.116(3) H(101) .278(7) -.470(10) .057(5) H(102) .304(7) -.300(10) .042(5) H(111) .28(2) -.46(3) -.070(10) H(112) .381(5) -.599(8) -.058(3) H(131) .443(3) -.614(5) -.261(2) H(132) .404(6) -.700(10) -.173(4) H(211) .312(8) -.380(10) -.276(6) H(212) .249(4) -.315(8) -.194(3) H(213) .229(8) -.530(10) -.193(6) H(221) .570(10) -.82(2) -.129(7) H(222) .68(2) -.83(3) -.150(10) H(223) .591(5) -.895(8) -.217(3) H(231) .648(3) -.420(4) -.218(2) H(232) .734(9) -.550(10) -.196(6) H(233) .638(3) -.517(6) -.274(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Ag(1) S(1) 2.8710(10) Ag(1) N(2) 2.3070(10) S(1) C(1) 1.6600(10) N(1) C(1) 1.146(2) N(11) C(1) 1.5010(10) N(11) C(00) 1.4990(10) N(12) C(14) 1.4890(10) C(10) C(11) 1.5280(10) C(12) C(21) 1.5240(10) C(14) C(22) 1.5270(10) Ag(1) S(2) 2.4760(10) Ag(1) S(1) 2.5260(10) S(2) C(2) 1.6440(10) N(2) C(2) 1.151(2) N(11) C(12) 1.5190(10) N(12) C(10) 1.4640(10) C(12) C(13) 1.5280(10) C(13) C(14) 1.5540(10) C(14) C(23) 1.5270(10) N(12) C(00) 1.4260(10) C(00) H(001) 0.939(9) C(10) H(101) 0.763(7) C(11) H(111) 0.752(7) C(13) H(132) 1.05(2) C(21) H(212) 0.921(9) C(22) H(221) 0.700(8) C(22) H(223) 1.09(2) C(23) H(232) 0.993(9) C(00) H(002) 1.017(13) C(10) H(102) 0.999(8) C(11) H(112) 0.997(8) C(13) H(131) 1.053(11) C(21) H(211) 1.05(3) C(21) H(213) 1.13(2) C(22) H(222) 0.937(9) C(23) H(231) 0.699(7) C(23) H(233) 1.019(12)