#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2000785.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_2000785 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1314 _journal_page_last 1315 loop_ _publ_author_name 'Jones, P.G.' _chemical_formula_moiety 'C26 H28 Cu1 N4 O2,Ag2 I4' _chemical_formula_sum 'C26 H28 Ag2 Cu1 I4 N4 O2' _chemical_formula_weight 1215.4 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _cell_length_a 8.5402(14) _cell_length_b 10.0286(16) _cell_length_c 10.584(2) _cell_angle_alpha 110.221(10) _cell_angle_beta 95.476(10) _cell_angle_gamma 93.420(12) _cell_volume 842.6(2) _cell_formula_units_Z 1 _exptl_crystal_density_diffrn 2.395 _exptl_crystal_density_meas ? _exptl_crystal_F_000 563 _exptl_absorpt_coefficient_mu 5.4 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv I(1) .16114(4) .26022(4) .79382(3) .0580(10) I(2) -.26207(4) .03977(4) .94723(4) .0660(10) Ag .05518(6) .09437(5) .92515(5) .0690(10) Cu .5000 .5000 .5000 .0330(10) C(1) .3295(5) .5613(4) .2774(4) .0370(10) C(2) .2733(7) .5864(6) .1486(4) .054(2) C(3) .5116(7) .4005(6) .1574(5) .058(2) O .4853(3) .5132(3) .2778(3) .0420(10) N(1) .4285(4) .6926(4) .5145(3) .0370(10) C(12) .3491(5) .7007(5) .4019(4) .0370(10) C(13) .2865(6) .8237(5) .4020(5) .045(2) C(14) .3058(6) .9413(5) .5214(5) .052(2) C(15) .3883(6) .9337(5) .6365(5) .051(2) C(16) .4495(6) .8072(5) .6283(5) .046(2) N(2) .2803(4) .4176(4) .4142(3) .0380(10) C(22) .2188(5) .4548(4) .3105(4) .0370(10) C(23) .0691(6) .4038(6) .2452(5) .052(2) C(24) -.0213(6) .3127(7) .2903(6) .066(2) C(25) .0403(6) .2755(7) .3974(7) .066(2) C(26) .1928(6) .3297(6) .4578(5) .051(2) H(2A) .2672 .4951 .0770 .066 H(2B) .1718 .6227 .1498 .066 H(2C) .3498 .6517 .1336 .066 H(3A) .5201 .4298 .0809 .070 H(3B) .6102 .3695 .1823 .070 H(3C) .4295 .3234 .1342 .070 H(13) .2314 .8278 .3201 .054 H(14) .2618 1.0279 .5240 .062 H(15) .4023 1.0138 .7202 .062 H(16) .5099 .8002 .7066 .055 H(23) .0273 .4318 .1716 .063 H(24) -.1258 .2743 .2456 .077 H(25) -.0211 .2138 .4302 .077 H(26) .2383 .3044 .5320 .060