#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2001849.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2001849 loop_ _publ_author_name 'Bachechi, F.' _publ_section_title ; Structure of the dinuclear platinum monohydrido bridged complex [(PEt~3~)~2~HPt(\m-H)PtH(PEt~3~)~2~][BPh~4~] ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 460 _journal_page_last 464 _journal_volume 49 _journal_year 1993 _chemical_formula_moiety 'C24 H63 P4 Pt2, C24 H20 B1' _chemical_formula_sum 'C48 H83 B P4 Pt2' _[local]_cod_chemical_formula_sum_orig 'C48 H83 B1 P4 Pt2' _chemical_formula_weight 1185.1 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yac' _symmetry_space_group_name_H-M 'C 2/n 1 1' _cell_angle_alpha 90 _cell_angle_beta 93.10(3) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 23.284(10) _cell_length_b 20.923(7) _cell_length_c 21.822(8) _cell_volume 10615(6) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 5.47 _exptl_crystal_density_diffrn 1.483 _exptl_crystal_F_000 4736 _[local]_cod_data_source_file na1006.cif _[local]_cod_data_source_block na1006_structure_1_of_1 _[local]_cod_cif_authors_sg_H-M 'C 2/n' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pt(1) .05285(4) .15697(4) .21504(4) .0655(3) Pt(2) .01627(5) .28094(5) .15292(4) .0732(3) Pt(1') .0062(10) .1838(11) .1409(10) .089(3) Pt(2') .0757(9) .0269(11) .2250(9) .073(2) Pt(1") .0927(7) .2189(7) .1435(7) .083(3) Pt(2") -.0108(7) .2263(7) .2184(8) .097(3) P(1) .0761(3) .0857(4) .1427(3) .080(10) P(2) .0399(3) .2057(3) .3067(3) .120(10) P(3) -.0787(3) .2538(3) .1392(3) .100(10) P(4) .1031(3) .3301(4) .1477(3) .080(10) B -.2351(11) .0371(13) .4953(13) .100(10) C(1) .150(3) .067(3) .138(3) .110(10) C(2) .185(2) .059(2) .188(2) .140(10) C(3) .085(4) .105(5) .063(4) .13(2) C(4) .052(3) .124(3) .037(3) .120(10) C(5) .033(2) .013(3) .137(3) .110(10) C(6) .006(3) -.010(3) .186(3) .120(10) C(7) .109(3) .208(3) .355(3) .100(10) C(8) .1563(14) .1785(15) .3476(15) .120(10) C(9) -.001(3) .167(3) .356(3) .110(10) C(10) -.0477(14) .1256(16) .3426(14) .120(10) C(11) .0115(16) .2878(18) .3108(17) .140(10) C(12) .0154(12) .3181(14) .3734(13) .110(10) C(13) -.130(2) .291(2) .187(2) .150(10) C(14) -.1230(13) .3504(16) .2108(14) .110(10) C(15) -.113(4) .173(4) .141(4) .140(10) C(16) -.122(3) .136(3) .171(3) .110(10) C(17) -.109(2) .277(3) .063(3) .110(10) C(18) -.0772(13) .2698(15) .0092(14) .110(10) C(19) .167(3) .293(3) .131(3) .110(10) C(20) .191(3) .261(3) .180(3) .160(10) C(21) .128(3) .390(3) .209(3) .110(10) C(22) .100(3) .435(3) .211(3) .120(10) C(23) .1051(16) .3851(19) .0813(18) .150(10) C(24) .0943(16) .3500(18) .0231(17) .140(10) C(31) -.2284(7) .0871(9) .4359(8) ? C(32) -.2299(7) .1525(10) .4474(7) ? C(33) -.2199(8) .1957(7) .4006(9) ? C(34) -.2085(7) .1735(9) .3424(8) ? C(35) -.2070(7) .1080(10) .3309(7) ? C(36) -.2170(7) .0649(7) .3777(9) ? C(37) -.1697(6) .028(2) .5310(8) ? C(38) -.1633(6) .005(2) .5910(7) ? C(39) -.1086(8) -.0014(9) .6194(6) ? C(40) -.0603(6) .015(2) .5878(8) ? C(41) -.0667(6) .037(2) .5278(7) ? C(42) -.1214(8) .0438(8) .4995(6) ? C(43) -.2808(7) .0725(12) .5433(10) ? C(44) -.2616(6) .1012(16) .5982(7) ? C(45) -.3003(7) .1331(8) .6338(6) ? C(46) -.3582(7) .1363(12) .6146(6) ? C(47) -.3774(6) .1076(16) .5597(7) ? C(48) -.3387(7) .0757(8) .5241(6) ? C(49) -.2604(8) -.0357(7) .4740(8) ? C(50) -.3008(8) -.0416(7) .4249(8) ? C(51) -.3243(7) -.1011(9) .4099(7) ? C(52) -.3073(8) -.1548(7) .4439(8) ? C(53) -.2670(8) -.1489(7) .4931(8) ? C(54) -.2435(7) -.0894(9) .5081(7) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Pt(1) P(1) 2.258(7) Pt(1) P(2) 2.279(6) Pt(2) P(3) 2.288(7) Pt(2) P(4) 2.277(8) P(1) C(1) 1.76(6) P(1) C(3) 1.82(9) P(1) C(5) 1.82(6) P(2) C(7) 1.88(6) P(2) C(9) 1.68(7) P(2) C(11) 1.81(4) P(3) C(13) 1.80(5) P(3) C(15) 1.88(8) P(3) C(17) 1.84(6) P(4) C(19) 1.74(6) P(4) C(21) 1.91(7) P(4) C(23) 1.85(4) C(1) C(2) 1.35(8) C(3) C(4) 1.02(12) C(5) C(6) 1.35(8) C(7) C(8) 1.27(7) C(9) C(10) 1.40(8) C(11) C(12) 1.51(5) C(13) C(14) 1.35(6) C(15) C(16) 1.04(10) C(17) C(18) 1.42(6) C(19) C(20) 1.37(9) C(21) C(22) 1.15(10) C(23) C(24) 1.48(6) loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle P(1) Pt(1) P(2) 163.1(3) P(3) Pt(2) P(4) 163.9(2) Pt(1) P(1) C(1) 118(2) Pt(1) P(1) C(3) 125(3) Pt(1) P(1) C(5) 116(2) C(1) P(1) C(3) 80(4) C(1) P(1) C(5) 110(3) C(3) P(1) C(5) 103(4) Pt(1) P(2) C(7) 111(2) Pt(1) P(2) C(9) 117(2) Pt(1) P(2) C(11) 122.0(10) C(7) P(2) C(9) 99(3) C(7) P(2) C(11) 102(2) C(9) P(2) C(11) 104(3) Pt(2) P(3) C(13) 119(2) Pt(2) P(3) C(15) 129(2) Pt(2) P(3) C(17) 112(2) C(13) P(3) C(15) 95(3) C(13) P(3) C(17) 100(2) C(15) P(3) C(17) 97(3) Pt(2) P(4) C(19) 126(2) Pt(2) P(4) C(21) 120(2) Pt(2) P(4) C(23) 112.0(10) C(19) P(4) C(21) 102(3) C(19) P(4) C(23) 93(2) C(21) P(4) C(23) 97(2) P(1) C(1) C(2) 122(4) P(1) C(3) C(4) 119(8) P(1) C(5) C(6) 121(5) P(2) C(7) C(8) 130(4) P(2) C(9) C(10) 129(5) P(2) C(11) C(12) 117(2) P(3) C(13) C(14) 124(3) P(3) C(15) C(16) 142(7) P(3) C(17) C(18) 122(4) P(4) C(19) C(20) 111(5) P(4) C(21) C(22) 114(6) P(4) C(23) C(24) 111(3) _cod_database_code 2001849