#------------------------------------------------------------------------------ #$Date: 2008-11-20 21:58:43 +0200 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2000784.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_2000784 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1992 _journal_volume 48 _journal_page_first 1312 _journal_page_last 1314 loop_ _publ_author_name 'Jones, P.G.' 'Thone, C.' _chemical_formula_sum 'C37 H22 Au2 F10 P2' _chemical_formula_weight 1112.4 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_space_group_name_Hall ? _cell_length_a 14.141(4) _cell_length_b 20.209(5) _cell_length_c 14.207(4) _cell_angle_alpha 90. _cell_angle_beta 95.85(3) _cell_angle_gamma 90. _cell_volume 4039 _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.829 _exptl_crystal_density_meas ? _exptl_crystal_F_000 2088 _exptl_absorpt_coefficient_mu 7.4 _diffrn_radiation_type monoclinic _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 Au(1) .56013(3) .20638(2) .72207(3) .0313(2) C(11) .6881(8) .2561(6) .7408(8) .032(3) C(12) .6928(9) .3250(6) .7426(8) .031(3) C(13) .7767(8) .3592(6) .7547(8) .031(3) C(14) .8624(9) .3242(6) .7625(9) .038(3) C(15) .8592(10) .2567(7) .7616(9) .042(3) C(16) .7741(9) .2248(6) .7531(8) .033(3) F(12) .6123(6) .3615(4) .7317(6) .053(3) F(13) .7798(6) .4251(4) .7579(6) .063(3) F(14) .9465(5) .3569(4) .7698(7) .070(4) F(15) .9419(6) .2219(5) .7707(7) .077(4) F(16) .7762(6) .1576(4) .7543(6) .061(3) Au(2) .56419(3) .18212(3) .50258(3) .0306(2) C(21) .6965(8) .2244(6) .5022(8) .029(3) C(22) .7112(9) .2912(6) .5108(8) .035(3) C(23) .8006(9) .3210(6) .5166(9) .036(3) C(24) .8790(10) .2819(7) .5098(9) .041(3) C(25) .8669(10) .2153(7) .4972(9) .043(3) C(26) .7768(8) .1895(6) .4941(8) .030(3) F(22) .6361(5) .3337(4) .5219(5) .047(3) F(23) .8113(6) .3872(4) .5252(6) .058(3) F(24) .9643(5) .3097(4) .5144(7) .065(4) F(25) .9423(5) .1762(4) .4904(7) .068(4) F(26) .7701(6) .1225(4) .4831(6) .054(3) P(1) .4165(2) .1533(2) .7100(2) .0290(10) C(1) .3973(8) .0941(6) .6119(7) .028(3) C(112) .3272(5) .2467(4) .4629(6) .037(3) C(113) .2478 .2860 .4366 .045(3) C(114) .1602 .2566 .4086 .050(4) C(115) .1519 .1879 .4068 .057(4) C(116) .2313 .1485 .4331 .042(3) C(111) .3189 .1779 .4612 .031(3) C(122) .4516(5) .0701(3) .3298(5) .037(3) C(123) .4357 .0242 .2565 .042(3) C(124) .3815 -.0323 .2687 .039(3) C(125) .3433 -.0429 .3542 .034(3) C(126) .3592 .0030 .4275 .036(3) C(121) .4134 .0595 .4153 .028(3) P(2) .4220(2) .1286(2) .4980(2) .0275(10) C(212) .3363(5) .2781(4) .7052(6) .038(3) C(213) .2620 .3236 .6923 .053(4) C(214) .1692 .3017 .6679 .057(4) C(215) .1507 .2342 .6564 .044(3) C(216) .2250 .1887 .6693 .037(3) C(211) .3178 .2106 .6937 .034(3) C(222) .4560(5) .1190(4) .8972(5) .033(3) C(223) .4425 .0851 .9804 .047(4) C(224) .3719 .0369 .9801 .052(4) C(225) .3148 .0225 .8966 .054(4) C(226) .3284 .0563 .8135 .039(3) C(221) .3990 .1046 .8138 .028(3) H(1A) .3328 .0787 .6073 .0327 H(1B) .4381 .0567 .6258 .0327 H(112) .3875 .2669 .4822 .0454 H(113) .2535 .3334 .4378 .0581 H(114) .1056 .2837 .3905 .0598 H(115) .0917 .1676 .3875 .0604 H(116) .2256 .1011 .4319 .0361 H(122) .4889 .1089 .3214 .0446 H(123) .4620 .0315 .1977 .0529 H(124) .3705 -.0638 .2183 .0522 H(125) .3060 -.0817 .3626 .0408 H(126) .3329 -.0043 .4863 .0416 H(212) .4002 .2932 .7220 .0452 H(213) .2747 .3701 .7002 .0624 H(214) .1181 .3331 .6590 .0625 H(215) .0868 .2192 .6396 .0562 H(216) .2123 .1423 .6614 .0437 H(222) .5046 .1522 .8974 .0397 H(223) .4817 .0950 1.0378 .0609 H(224) .3625 .0136 1.0373 .0634 H(225) .2663 -.0107 .8964 .0610 H(226) .2891 .0464 .7560 .0511