data_2007361
_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)(C21 H21 P)]'
_chemical_formula_sum  'C22 H21 Au N P'
_chemical_formula_structural  '[(m-tolyl)3PAuCN]'
_chemical_formula_weight  527.33
_symmetry_cell_setting  'Orthorhombic'
_symmetry_space_group_name_H-M  'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, -z'
_cell_length_a  11.312(2)
_cell_length_b  12.996(3)
_cell_length_c  13.308(3)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1956.4(7)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.790
_exptl_crystal_density_meas  1.71
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0325
_refine_ls_wR_factor_obs  .0780
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  .82513(3) 1.06890(3)  .76539(3)  .0433(2) Uani d . 1 . Au
  P1 1.0062(2) 1.1224(2)  .7099(2)  .0382(6) Uani d . 1 . P
  N1  .5673(14) 1.0270(10)  .8329(10)  .087(4) Uani d . 1 . N
  C1  .6535(8) 1.0345(8)  .8121(8)  .038(2) Uani d . 1 . C
  C2 1.1124(8) 1.0225(7)  .6761(7)  .035(2) Uani d . 1 . C
  C3 1.1498(11) 1.0056(9)  .5783(8)  .051(3) Uani d . 1 . C
  H3A 1.1186(11) 1.0446(9)  .5260(8)  .061 Uiso calc R 1 . H
  C4 1.2337(11)  .9305(10)  .5585(9)  .064(3) Uani d . 1 . C
  H4A 1.2588(11)  .9185(10)  .4930(9)  .076 Uiso calc R 1 . H
  C5 1.2795(11)  .8737(10)  .6368(10)  .061(3) Uani d . 1 . C
  H5A 1.3343(11)  .8224(10)  .6228(10)  .073 Uiso calc R 1 . H
  C6 1.2469(9)  .8905(9)  .7343(9)  .049(3) Uani d . 1 . C
  C7 1.1611(8)  .9640(8)  .7531(7)  .039(2) Uani d . 1 . C
  H7A 1.1356(8)  .9745(8)  .8188(7)  .047 Uiso calc R 1 . H
  C8 1.3003(12)  .8319(9)  .8211(11)  .072(4) Uani d . 1 . C
  H8A 1.2650(12)  .8545(9)  .8828(11)  .108 Uiso calc R 1 . H
  H8B 1.3839(12)  .8442(9)  .8232(11)  .108 Uiso calc R 1 . H
  H8C 1.2860(12)  .7596(9)  .8123(11)  .108 Uiso calc R 1 . H
  C9 1.0840(9) 1.2042(8)  .7983(7)  .037(2) Uani d . 1 . C
  C10 1.0230(10) 1.2587(9)  .8696(8)  .047(3) Uani d . 1 . C
  H10A  .9412(10) 1.2527(9)  .8737(8)  .057 Uiso calc R 1 . H
  C11 1.0831(10) 1.3231(8)  .9363(8)  .048(3) Uani d . 1 . C
  H11A 1.0418(10) 1.3598(8)  .9850(8)  .057 Uiso calc R 1 . H
  C12 1.2052(9) 1.3318(7)  .9289(8)  .042(2) Uani d . 1 . C
  H12A 1.2454(9) 1.3752(7)  .9727(8)  .051 Uiso calc R 1 . H
  C13 1.2670(10) 1.2777(8)  .8584(8)  .039(2) Uani d . 1 . C
  C14 1.2078(8) 1.2136(8)  .7945(7)  .039(2) Uani d . 1 . C
  H14A 1.2501(8) 1.1755(8)  .7475(7)  .047 Uiso calc R 1 . H
  C15 1.4000(10) 1.2884(10)  .8516(10)  .054(3) Uani d . 1 . C
  H15A 1.4292(10) 1.2457(10)  .7982(10)  .081 Uiso calc R 1 . H
  H15B 1.4351(10) 1.2675(10)  .9139(10)  .081 Uiso calc R 1 . H
  H15C 1.4200(10) 1.3589(10)  .8382(10)  .081 Uiso calc R 1 . H
  C16  .9824(9) 1.1997(8)  .5965(7)  .037(2) Uani d . 1 . C
  C19  .9069(10) 1.1629(8)  .5244(8)  .045(3) Uani d . 1 . C
  H19A  .8701(10) 1.0996(8)  .5333(8)  .054 Uiso calc R 1 . H
  C20  .8851(12) 1.2199(10)  .4380(9)  .059(3) Uani d . 1 . C
  H20A  .8373(12) 1.1932(10)  .3875(9)  .070 Uiso calc R 1 . H
  C21  .9345(10) 1.3164(9)  .4274(9)  .050(3) Uani d . 1 . C
  H21A  .9156(10) 1.3562(9)  .3716(9)  .060 Uiso calc R 1 . H
  C22 1.0122(10) 1.3546(8)  .4992(8)  .044(2) Uani d . 1 . C
  C23 1.0337(9) 1.2964(8)  .5847(7)  .039(2) Uani d . 1 . C
  H23A 1.0829(9) 1.3223(8)  .6346(7)  .046 Uiso calc R 1 . H
  C24 1.0683(13) 1.4574(9)  .4848(9)  .065(4) Uani d . 1 . C
  H24A 1.1189(13) 1.4723(9)  .5409(9)  .098 Uiso calc R 1 . H
  H24B 1.0080(13) 1.5092(9)  .4801(9)  .098 Uiso calc R 1 . H
  H24C 1.1142(13) 1.4571(9)  .4241(9)  .098 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  .0403(2)  .0521(2)  .0375(2)  -.0052(2)  .0020(2)  .0058(2)
  P1  .0363(13)  .0486(14)  .0296(13)  -.0041(12)  -.0013(11)  .0005(11)
  N1  .096(10)  .083(8)  .082(9)  -.009(8)  .024(8)  .001(7)
  C1  .028(5)  .049(6)  .038(5)  -.010(4)  .012(4)  -.007(4)
  C2  .032(5)  .038(5)  .035(5)  .001(4)  -.001(4)  -.004(4)
  C3  .064(8)  .059(7)  .029(5)  -.011(6)  -.001(5)  -.004(5)
  C4  .064(7)  .082(9)  .045(6)  -.005(8)  .020(6)  -.015(7)
  C5  .043(7)  .064(8)  .075(9)  .003(6)  .007(6)  -.012(7)
  C6  .039(5)  .052(6)  .057(7)  -.009(5)  -.002(6)  -.003(6)
  C7  .034(5)  .048(5)  .036(5)  -.007(4)  -.004(5)  -.001(4)
  C8  .069(9)  .057(7)  .089(10)  .014(7)  -.033(8)  -.004(7)
  C9  .041(5)  .046(5)  .025(4)  .001(5)  -.001(4)  -.001(4)
  C10  .041(6)  .061(7)  .041(6)  -.006(6)  -.002(5)  .012(5)
  C11  .054(7)  .047(6)  .041(6)  .009(6)  .002(5)  -.009(5)
  C12  .050(6)  .038(5)  .039(5)  -.006(5)  -.008(5)  -.008(4)
  C13  .047(6)  .032(5)  .039(6)  .000(5)  -.004(5)  .006(5)
  C14  .033(5)  .056(6)  .028(5)  .003(5)  -.001(4)  .000(4)
  C15  .039(6)  .067(8)  .056(7)  .001(6)  -.010(5)  -.015(7)
  C16  .036(5)  .045(5)  .030(5)  .003(5)  .002(4)  .004(4)
  C19  .045(6)  .040(5)  .049(6)  -.008(5)  -.011(5)  .003(5)
  C20  .065(8)  .061(8)  .050(7)  -.008(7)  -.024(6)  -.001(6)
  C21  .057(7)  .055(7)  .038(6)  .008(6)  -.011(5)  .001(5)
  C22  .046(6)  .050(6)  .037(5)  .001(5)  .002(5)  .003(5)
  C23  .033(5)  .057(6)  .026(5)  .002(5)  .000(4)  .003(5)
  C24  .082(9)  .061(7)  .053(7)  -.027(7)  -.010(7)  .012(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 . 2.087(10) yes
  Au1 P1 . 2.286(3) yes
  P1 C9 . 1.814(10) yes
  P1 C2 . 1.826(10) yes
  P1 C16 . 1.833(10) yes
  N1 C1 . 1.02(2) yes
  C2 C3 . 1.386(14) ?
  C2 C7 . 1.390(13) ?
  C3 C4 . 1.39(2) ?
  C4 C5 . 1.38(2) ?
  C5 C6 . 1.37(2) ?
  C6 C7 . 1.38(2) ?
  C6 C8 . 1.51(2) ?
  C9 C10 . 1.371(15) ?
  C9 C14 . 1.406(14) ?
  C10 C11 . 1.40(2) ?
  C11 C12 . 1.39(2) ?
  C12 C13 . 1.366(14) ?
  C13 C14 . 1.366(14) ?
  C13 C15 . 1.513(15) ?
  C16 C19 . 1.371(14) ?
  C16 C23 . 1.393(14) ?
  C19 C20 . 1.39(2) ?
  C20 C21 . 1.38(2) ?
  C21 C22 . 1.391(15) ?
  C22 C23 . 1.387(14) ?
  C22 C24 . 1.49(2) ?