#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000384.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_2000384 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 2213 _journal_page_last 2215 loop_ _publ_author_name 'Staples, R.J.' 'Khan, N.I.' 'Wang, S.' 'Fackler, J.P.' _chemical_formula_moiety 'C38 H30 N2 P2 Pt1,2(C1 H4 O1)' _chemical_formula_sum 'C40 H38 N2 O2 P2 Pt1' _chemical_formula_weight 835.790 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall ? _cell_length_a 7.7360(10) _cell_length_b 10.406(2) _cell_length_c 12.111(3) _cell_angle_alpha 111.000(10) _cell_angle_beta 104.070(10) _cell_angle_gamma 90.650(10) _cell_volume 877.7(3) _cell_formula_units_Z 1 _exptl_crystal_density_diffrn 1.581 _exptl_crystal_density_meas ? _exptl_crystal_F_000 416 _exptl_absorpt_coefficient_mu 4.163 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7103 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt .0 .0 .0 .0190(10) P(1) -.08410(10) .12990(10) .17640(10) .0200(10) N(1) -.0631(5) .2338(3) -.1080(3) .0490(10) C(1) -.0412(4) .1489(4) -.0674(3) .0330(10) C(2) -.2085(4) .0181(3) .2236(3) .0220(10) C(3) -.3508(4) -.0734(3) .1341(3) .0310(10) C(4) -.4562(4) -.1566(3) .1653(3) .0360(10) C(5) -.4185(4) -.1503(3) .2846(3) .0360(10) C(6) -.2740(4) -.0622(4) .3730(3) .0350(10) C(7) -.1696(4) .0230(3) .3429(3) .0280(10) C(8) -.2277(4) .2661(3) .1686(3) .0230(10) C(9) -.1644(4) .3792(3) .1472(3) .0300(10) C(10) -.2742(5) .4810(3) .1383(3) .0360(10) C(11) -.4459(5) .4721(4) .1507(3) .0380(10) C(12) -.5080(4) .3624(4) .1749(3) .0360(10) C(13) -.4004(4) .2599(3) .1840(3) .0300(10) C(14) .1096(4) .2151(3) .3056(3) .0230(10) C(15) .2642(4) .1482(3) .3172(3) .0320(10) C(16) .4103(4) .2089(4) .4176(3) .0360(10) C(17) .4062(4) .3360(4) .5064(3) .0320(10) C(18) .2527(5) .4021(4) .4954(3) .0430(10) C(19) .1065(4) .3417(4) .3950(3) .0390(10) C(30) -.1275(5) .3000(4) -.3597(4) .051(2) O -.1969(3) .3779(3) -.2615(3) .0470(10) H(3) -.3758 -.0789 .0509 .037 H(4) -.5554 -.2182 .1040 .043 H(5) -.4921 -.2071 .3065 .042 H(6) -.2463 -.0600 .4554 .041 H(7) -.0708 .0848 .4045 .034 H(9) -.0448 .3861 .1388 .036 H(10) -.2306 .5582 .1233 .043 H(11) -.5224 .5420 .1426 .046 H(12) -.6266 .3576 .1854 .044 H(13) -.4443 .1842 .2009 .035 H(15) .2695 .0601 .2558 .038 H(16) .5159 .1618 .4256 .044 H(17) .5089 .3780 .5749 .039 H(18) .2474 .4898 .5573 .051 H(19) .0010 .3889 .3877 .047 H(30a) -.1605 .3350 -.4244 .061 H(30b) -.1756 .2047 -.3897 .061 H(30c) .008 .3073 -.3318 .061