data_2007360 _journal_name_full 'Acta Crystallographica' _journal_year 1998 _journal_volume C54 _journal_page_first 716 _journal_page_last 719 _publ_section_title ; R~3~PAuCN Complexes: [{Ph~2~(cyclohexyl)P}AuCN] and [{(m-Tolyl)~3~P}AuCN] ; loop_ _publ_author_name 'Al-Arfaj, A.R.' 'Reibenspies, J.H.' 'Hussain, M. Sakhawat' 'Isab, A.A.' _chemical_name_common 'Cyanogold-phosphine' _chemical_formula_moiety '[Au(CN)(C18 H21 P)]' _chemical_formula_sum 'C19 H21 Au N P' _chemical_formula_structural '[Ph2(cyclohexyl)PAuCN]' _chemical_formula_weight 491.30 _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_H-M 'P 21/n' _symmetry_space_group_name_Hall '-P 2yn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 9.384(2) _cell_length_b 17.237(3) _cell_length_c 11.307(2) _cell_angle_alpha 90.00 _cell_angle_beta 94.50(3) _cell_angle_gamma 90.00 _cell_volume 1823.2(6) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.790 _exptl_crystal_density_meas 1.70 _diffrn_ambient_temperature 293(2) _refine_ls_R_factor_obs .0466 _refine_ls_wR_factor_obs .1121 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_group _atom_site_type_symbol Au1 .10475(5) .86739(3) .15437(4) .0550(2) Uani d . 1 . Au P1 -.0028(3) .8156(2) .3106(2) .0484(7) Uani d . 1 . P N1 .2736(18) .9330(9) -.0487(12) .106(5) Uani d . 1 . N C1 .2106(14) .9101(7) .0139(10) .057(3) Uani d . 1 . C C2 .0415(13) .7119(6) .3277(10) .054(3) Uani d . 1 . C H2A -.0138(13) .6905(6) .3900(10) .065 Uiso calc R 1 . H C3 .2012(13) .6994(7) .3642(11) .059(3) Uani d . 1 . C H3A .2584(13) .7244(7) .3075(11) .071 Uiso calc R 1 . H H3B .2253(13) .7224(7) .4415(11) .071 Uiso calc R 1 . H C4 .2342(15) .6118(8) .3688(13) .073(4) Uani d . 1 . C H4A .3357(15) .6044(8) .3888(13) .088 Uiso calc R 1 . H H4B .1833(15) .5881(8) .4308(13) .088 Uiso calc R 1 . H C5 .1928(16) .5720(8) .2537(13) .077(4) Uani d . 1 . C H5A .2132(16) .5170(8) .2617(13) .092 Uiso calc R 1 . H H5B .2495(16) .5926(8) .1927(13) .092 Uiso calc R 1 . H C6 .0342(17) .5833(7) .2157(14) .078(4) Uani d . 1 . C H6A -.0225(17) .5577(7) .2723(14) .094 Uiso calc R 1 . H H6B .0124(17) .5593(7) .1389(14) .094 Uiso calc R 1 . H C7 -.0066(15) .6702(7) .2081(12) .067(3) Uani d . 1 . C H7A -.1093(15) .6752(7) .1920(12) .080 Uiso calc R 1 . H H7B .0392(15) .6944(7) .1436(12) .080 Uiso calc R 1 . H C8 -.1948(12) .8263(6) .2976(9) .049(3) Uani d . 1 . C C9 -.2848(15) .7915(8) .3745(11) .069(4) Uani d . 1 . C H9A -.2451(15) .7587(8) .4335(11) .083 Uiso calc R 1 . H C10 -.4310(15) .8041(9) .3662(13) .078(4) Uani d . 1 . C H10A -.4885(15) .7807(9) .4194(13) .093 Uiso calc R 1 . H C11 -.4893(17) .8516(9) .2781(14) .080(4) Uani d . 1 . C H11A -.5868(17) .8619(9) .2746(14) .096 Uiso calc R 1 . H C12 -.4104(14) .8843(8) .1957(13) .071(4) Uani d . 1 . C H12A -.4528(14) .9141(8) .1341(13) .085 Uiso calc R 1 . H C13 -.2639(15) .8715(7) .2071(11) .061(3) Uani d . 1 . C H13A -.2085(15) .8942(7) .1518(11) .073 Uiso calc R 1 . H C14 .0569(11) .8614(7) .4502(9) .050(3) Uani d . 1 . C C15 .1368(16) .9290(7) .4501(11) .068(4) Uani d . 1 . C H15A .1613(16) .9491(7) .3781(11) .082 Uiso calc R 1 . H C16 .1811(15) .9673(8) .5536(12) .074(4) Uani d . 1 . C H16A .2311(15) 1.0137(8) .5506(12) .088 Uiso calc R 1 . H C17 .1511(16) .9364(8) .6622(10) .072(4) Uani d . 1 . C H17A .1834(16) .9607(8) .7327(10) .086 Uiso calc R 1 . H C18 .0735(16) .8701(9) .6632(11) .080(4) Uani d . 1 . C H18A .0504(16) .8502(9) .7357(11) .096 Uiso calc R 1 . H C19 .0271(15) .8305(8) .5596(11) .068(4) Uani d . 1 . C H19A -.0231(15) .7841(8) .5634(11) .081 Uiso calc R 1 . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Au1 .0712(4) .0523(3) .0432(3) -.0064(2) .0156(2) .0034(2) P1 .058(2) .046(2) .0421(14) -.0024(14) .0107(13) .0046(12) N1 .145(14) .107(11) .069(8) -.019(10) .028(9) .008(8) C1 .065(8) .061(7) .044(6) -.009(6) -.007(6) .005(6) C2 .067(8) .045(6) .052(6) -.009(6) .013(6) .010(5) C3 .049(7) .064(8) .063(7) .007(6) -.011(6) -.002(6) C4 .063(8) .074(9) .081(9) .028(7) -.003(7) .005(7) C5 .081(10) .070(9) .083(9) .019(8) .022(8) -.005(7) C6 .097(11) .051(7) .090(10) -.005(7) .026(9) -.016(7) C7 .065(9) .061(7) .074(8) -.002(7) .008(7) -.013(7) C8 .056(7) .048(6) .043(6) -.003(5) .006(5) -.004(5) C9 .068(9) .077(9) .064(8) .001(7) .017(7) .016(7) C10 .061(9) .102(11) .073(9) -.018(8) .027(7) -.006(8) C11 .066(9) .092(11) .082(10) .007(8) .014(8) -.007(8) C12 .058(8) .080(10) .072(8) .013(7) -.017(7) -.005(7) C13 .074(9) .058(7) .050(6) -.002(7) .002(6) -.001(6) C14 .039(6) .065(7) .045(6) .006(5) -.005(5) .001(5) C15 .101(11) .052(7) .054(7) -.012(7) .020(7) .003(6) C16 .082(10) .060(8) .077(9) -.009(7) -.007(8) -.009(7) C17 .098(11) .069(9) .045(7) .011(8) -.014(7) -.015(6) C18 .090(11) .108(12) .042(7) -.015(9) -.002(7) -.014(7) C19 .082(10) .066(8) .058(7) -.008(7) .018(7) .013(6) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Au1 C1 . 2.073(13) yes Au1 P1 . 2.284(3) yes P1 C8 . 1.806(12) yes P1 C14 . 1.813(11) yes P1 C2 . 1.841(11) yes N1 C1 . 1.04(2) yes C2 C3 . 1.54(2) ? C2 C7 . 1.57(2) ? C3 C4 . 1.54(2) ? C4 C5 . 1.50(2) ? C5 C6 . 1.53(2) ? C6 C7 . 1.55(2) ? C8 C9 . 1.39(2) ? C8 C13 . 1.40(2) ? C9 C10 . 1.39(2) ? C10 C11 . 1.37(2) ? C11 C12 . 1.36(2) ? C12 C13 . 1.39(2) ? C14 C15 . 1.39(2) ? C14 C19 . 1.40(2) ? C15 C16 . 1.38(2) ? C16 C17 . 1.39(2) ? C17 C18 . 1.36(2) ? C18 C19 . 1.40(2) ?