data_2011534
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e487
_journal_page_last  e488
_publ_section_title
;
Bis[bis(diphenylphosphinomethyl)phenylphosphine]dichlorotetragold(I)
bis[chlorotris(pentafluorophenyl)aurate(III)]
;
loop_
_publ_author_name
  "Bardaj\'i, Manuel"
  'Laguna, Antonio'
  'Villacampa, M. Dolores'
_chemical_formula_moiety  'C64 H58 Au4 Cl2 P6, 2C18 Au Cl F15'
_chemical_formula_sum  'C100 H58 Au6 Cl4 F30 P6'
_chemical_formula_iupac  '[Au4 (C32 H29 P3)2 Cl2] [AuCl (C6 F5)3]2'
_chemical_formula_weight  3338.88
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  12.193(6)
_cell_length_b  14.439(8)
_cell_length_c  16.531(9)
_cell_angle_alpha  65.93(2)
_cell_angle_beta  86.36(3)
_cell_angle_gamma  71.46(3)
_cell_volume  2512(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  2.207
_diffrn_ambient_temperature  173(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Au1  .01597(4)  .53497(4)  .13997(2)  .02311(12) Uani d . 1 . . Au
  Au2  -.15015(4)  .51505(4)  .01107(3)  .02507(12) Uani d . 1 . . Au
  Au3  .25340(4)  .86948(4)  .39366(3)  .02417(12) Uani d . 1 . . Au
  P1  -.1287(2)  .6986(2)  .09338(16)  .0206(6) Uani d . 1 . . P
  P2  -.2138(2)  .6919(3)  -.07028(17)  .0234(7) Uani d . 1 . . P
  P3  .1508(3)  .3723(2)  .22389(17)  .0246(7) Uani d . 1 . . P
  Cl1  .0671(2)  .9926(3)  .35046(19)  .0356(7) Uani d . 1 . . Cl
  Cl2  -.1161(3)  .3360(3)  .09273(19)  .0395(8) Uani d . 1 . . Cl
  F1  .1882(7)  .8070(7)  .5991(4)  .055(2) Uani d . 1 . . F
  F2  .2133(7)  .8831(8)  .7164(4)  .069(3) Uani d . 1 . . F
  F3  .3106(7) 1.0410(8)  .6708(5)  .073(3) Uani d . 1 . . F
  F4  .3902(8) 1.1159(7)  .5074(5)  .065(3) Uani d . 1 . . F
  F5  .3665(7) 1.0388(6)  .3888(4)  .047(2) Uani d . 1 . . F
  F6  .3599(6)  .6419(7)  .5545(4)  .060(2) Uani d . 1 . . F
  F7  .5756(6)  .5058(7)  .5979(5)  .061(2) Uani d . 1 . . F
  F8  .7497(6)  .5548(7)  .4952(5)  .067(3) Uani d . 1 . . F
  F9  .7041(6)  .7395(8)  .3494(5)  .064(2) Uani d . 1 . . F
  F10  .4867(6)  .8785(6)  .3044(4)  .0449(19) Uani d . 1 . . F
  F11  .2678(6)  .9713(6)  .1821(4)  .0451(19) Uani d . 1 . . F
  F12  .2481(7)  .9038(7)  .0575(4)  .056(2) Uani d . 1 . . F
  F13  .1957(7)  .7217(7)  .0997(5)  .060(2) Uani d . 1 . . F
  F14  .1714(7)  .6010(7)  .2725(6)  .059(2) Uani d . 1 . . F
  F15  .2001(6)  .6635(6)  .3997(4)  .0450(19) Uani d . 1 . . F
  C1  -.1589(10)  .7694(9)  -.0269(6)  .025(3) Uani d . 1 . . C
  H1A  -.0872  .7799  -.0551  .030 Uiso calc R 1 . . H
  H1B  -.2174  .8408  -.0417  .030 Uiso calc R 1 . . H
  C2  -.1677(9)  .7309(9)  -.1835(6)  .022(2) Uani d . 1 . . C
  H2A  -.2258  .7981  -.2234  .026 Uiso calc R 1 . . H
  H2B  -.0929  .7446  -.1847  .026 Uiso calc R 1 . . H
  C11  -.2638(9)  .6876(8)  .1409(6)  .021(2) Uani d D 1 . . C
  C12  -.3612(9)  .7786(10)  .1180(7)  .034(3) Uani d D 1 . . C
  H12  -.3580  .8456  .0750  .041 Uiso calc R 1 . . H
  C13  -.4637(10)  .7705(13)  .1588(8)  .050(4) Uani d D 1 . . C
  H13  -.5306  .8322  .1431  .060 Uiso calc R 1 . . H
  C14  -.4682(11)  .6735(10)  .2216(7)  .046(4) Uani d D 1 . . C
  H14  -.5380  .6689  .2496  .055 Uiso calc R 1 . . H
  C15  -.3719(11)  .5829(11)  .2441(7)  .041(3) Uani d D 1 . . C
  H15  -.3757  .5162  .2875  .049 Uiso calc R 1 . . H
  C16  -.2689(10)  .5891(11)  .2032(7)  .040(3) Uani d D 1 . . C
  H16  -.2031  .5266  .2176  .048 Uiso calc R 1 . . H
  C21  -.1004(8)  .7912(9)  .1302(6)  .027(3) Uani d D 1 . . C
  C22  -.0871(9)  .8858(10)  .0724(7)  .036(3) Uani d D 1 . . C
  H22  -.0880  .9033  .0104  .043 Uiso calc R 1 . . H
  C23  -.0721(10)  .9573(11)  .1053(9)  .047(4) Uani d D 1 . . C
  H23  -.0636 1.0236  .0653  .056 Uiso calc R 1 . . H
  C24  -.0696(10)  .9314(12)  .1948(8)  .052(4) Uani d D 1 . . C
  H24  -.0578  .9791  .2169  .063 Uiso calc R 1 . . H
  C25  -.0840(13)  .8377(14)  .2518(9)  .066(5) Uani d D 1 . . C
  H25  -.0845  .8211  .3137  .080 Uiso calc R 1 . . H
  C26  -.0979(10)  .7655(12)  .2204(7)  .043(4) Uani d D 1 . . C
  H26  -.1057  .6991  .2609  .052 Uiso calc R 1 . . H
  C31  -.3705(10)  .7486(8)  -.0815(6)  .026(3) Uani d D 1 . . C
  C32  -.4241(10)  .8563(10)  -.1314(6)  .036(3) Uani d D 1 . . C
  H32  -.3785  .9015  -.1600  .043 Uiso calc R 1 . . H
  C33  -.5441(10)  .8991(11)  -.1400(7)  .046(4) Uani d D 1 . . C
  H33  -.5809  .9735  -.1739  .055 Uiso calc R 1 . . H
  C34  -.6087(11)  .8336(10)  -.0995(8)  .051(4) Uani d D 1 . . C
  H34  -.6909  .8629  -.1061  .061 Uiso calc R 1 . . H
  C35  -.5575(11)  .7257(12)  -.0492(8)  .048(4) Uani d D 1 . . C
  H35  -.6040  .6812  -.0217  .057 Uiso calc R 1 . . H
  C36  -.4365(10)  .6823(11)  -.0390(8)  .041(3) Uani d D 1 . . C
  H36  -.4000  .6084  -.0034  .049 Uiso calc R 1 . . H
  C51  .1060(10)  .3188(8)  .3349(6)  .029(3) Uani d D 1 . . C
  C52  .0826(14)  .3824(12)  .3817(8)  .091(7) Uani d D 1 . . C
  H52  .0949  .4500  .3576  .110 Uiso calc R 1 . . H
  C53  .0407(17)  .3451(15)  .4650(9)  .113(9) Uani d D 1 . . C
  H53  .0256  .3875  .4984  .136 Uiso calc R 1 . . H
  C54  .0209(15)  .2505(11)  .4994(8)  .066(5) Uani d D 1 . . C
  H54  -.0105  .2283  .5556  .079 Uiso calc R 1 . . H
  C55  .0451(10)  .1859(11)  .4549(7)  .040(3) Uani d D 1 . . C
  H55  .0345  .1176  .4806  .048 Uiso calc R 1 . . H
  C56  .0853(9)  .2218(9)  .3720(6)  .027(3) Uani d D 1 . . C
  H56  .0993  .1787  .3393  .032 Uiso calc R 1 . . H
  C61  .2948(9)  .3764(8)  .2336(7)  .030(3) Uani d D 1 . . C
  C62  .3756(10)  .2916(10)  .2976(9)  .057(4) Uani d D 1 . . C
  H62  .3540  .2332  .3395  .068 Uiso calc R 1 . . H
  C63  .4873(13)  .2922(14)  .3004(12)  .089(7) Uani d D 1 . . C
  H63  .5421  .2337  .3451  .107 Uiso calc R 1 . . H
  C64  .5225(14)  .3734(13)  .2416(11)  .085(7) Uani d D 1 . . C
  H64  .6010  .3712  .2435  .102 Uiso calc R 1 . . H
  C65  .4420(12)  .4579(13)  .1797(10)  .057(4) Uani d D 1 . . C
  H65  .4643  .5167  .1392  .069 Uiso calc R 1 . . H
  C66  .3286(10)  .4605(11)  .1745(7)  .042(4) Uani d D 1 . . C
  H66  .2739  .5200  .1302  .050 Uiso calc R 1 . . H
  C71  .2737(9)  .9219(11)  .4894(7)  .032(3) Uani d . 1 . . C
  C72  .2375(11)  .8837(11)  .5743(7)  .038(3) Uani d . 1 . . C
  C73  .2475(10)  .9231(12)  .6356(7)  .044(4) Uani d . 1 . . C
  C74  .3006(11)  .9998(13)  .6116(9)  .049(4) Uani d . 1 . . C
  C75  .3394(11) 1.0391(13)  .5306(9)  .050(4) Uani d . 1 . . C
  C76  .3276(11)  .9982(10)  .4704(7)  .033(3) Uani d . 1 . . C
  C81  .4158(9)  .7653(9)  .4284(7)  .024(3) Uani d . 1 . . C
  C82  .4456(10)  .6677(11)  .5010(7)  .035(3) Uani d . 1 . . C
  C83  .5545(11)  .5988(11)  .5267(8)  .042(3) Uani d . 1 . . C
  C84  .6413(11)  .6226(12)  .4737(9)  .045(4) Uani d . 1 . . C
  C85  .6165(11)  .7156(12)  .4003(8)  .042(3) Uani d . 1 . . C
  C86  .5059(11)  .7872(10)  .3789(7)  .030(3) Uani d . 1 . . C
  C91  .2382(9)  .8167(10)  .2974(7)  .028(3) Uani d . 1 . . C
  C92  .2448(9)  .8774(10)  .2082(7)  .027(3) Uani d . 1 . . C
  C93  .2347(10)  .8433(11)  .1422(7)  .034(3) Uani d . 1 . . C
  C94  .2117(10)  .7511(11)  .1650(8)  .036(3) Uani d . 1 . . C
  C95  .1985(10)  .6904(11)  .2509(9)  .038(3) Uani d . 1 . . C
  C96  .2139(10)  .7255(10)  .3149(8)  .030(3) Uani d . 1 . . C
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  .0228(2)  .0221(3)  .0202(2)  -.0030(2)  -.00062(17)  -.00736(19)
  Au2  .0297(3)  .0230(3)  .0211(2)  -.0098(2)  .00228(18)  -.00672(19)
  Au3  .0255(2)  .0218(3)  .0251(2)  -.0055(2)  -.00009(18)  -.0109(2)
  P1  .0208(15)  .0228(18)  .0178(12)  -.0065(13)  .0032(11)  -.0085(12)
  P2  .0246(15)  .0256(19)  .0205(13)  -.0084(14)  .0023(12)  -.0097(13)
  P3  .0303(17)  .0194(18)  .0212(13)  -.0035(14)  -.0044(12)  -.0080(13)
  Cl1  .0286(16)  .035(2)  .0449(16)  .0017(14)  -.0045(13)  -.0255(15)
  Cl2  .0371(17)  .0253(19)  .0451(16)  -.0115(15)  .0031(14)  -.0028(14)
  F1  .054(5)  .071(7)  .041(4)  -.028(5)  .007(4)  -.019(4)
  F2  .059(5)  .110(9)  .034(4)  -.012(5)  .007(4)  -.037(5)
  F3  .076(6)  .085(7)  .068(5)  .010(5)  -.022(5)  -.065(5)
  F4  .079(6)  .060(7)  .077(5)  -.026(5)  -.013(5)  -.042(5)
  F5  .066(5)  .041(5)  .042(4)  -.023(4)  .007(4)  -.021(4)
  F6  .041(5)  .059(6)  .043(4)  -.012(4)  .012(4)  .009(4)
  F7  .049(5)  .041(6)  .052(4)  .000(4)  -.001(4)  .010(4)
  F8  .026(4)  .051(6)  .090(6)  .013(4)  -.002(4)  -.014(5)
  F9  .034(4)  .072(7)  .075(5)  -.016(5)  .017(4)  -.023(5)
  F10  .043(4)  .041(5)  .045(4)  -.014(4)  .012(3)  -.013(4)
  F11  .064(5)  .030(5)  .035(4)  -.023(4)  -.005(3)  .001(3)
  F12  .066(5)  .055(6)  .028(3)  -.001(5)  -.004(4)  -.013(4)
  F13  .051(5)  .079(7)  .068(5)  -.003(5)  -.009(4)  -.061(5)
  F14  .069(6)  .034(5)  .103(6)  -.026(5)  .022(5)  -.051(5)
  F15  .059(5)  .032(5)  .045(4)  -.021(4)  .029(4)  -.016(4)
  C1  .033(6)  .027(7)  .012(5)  -.009(6)  .002(4)  -.006(5)
  C2  .028(6)  .025(7)  .015(5)  -.012(5)  .006(4)  -.009(5)
  C11  .024(6)  .021(7)  .020(5)  -.010(5)  .006(4)  -.009(5)
  C12  .025(6)  .038(9)  .032(6)  -.005(6)  .000(5)  -.011(6)
  C13  .031(8)  .075(13)  .055(8)  -.011(8)  .011(6)  -.043(9)
  C14  .034(8)  .072(12)  .046(7)  -.024(8)  .023(6)  -.036(8)
  C15  .048(8)  .041(9)  .040(7)  -.028(8)  .017(6)  -.014(7)
  C16  .045(8)  .038(9)  .039(7)  -.019(7)  .014(6)  -.014(6)
  C21  .016(6)  .037(8)  .034(6)  -.013(6)  .002(5)  -.019(6)
  C22  .047(8)  .036(9)  .037(6)  -.017(7)  -.002(6)  -.022(6)
  C23  .039(8)  .033(9)  .070(9)  -.006(7)  -.012(7)  -.025(8)
  C24  .026(7)  .077(13)  .077(10)  -.003(8)  .005(7)  -.064(10)
  C25  .065(11)  .109(17)  .049(8)  -.026(11)  -.001(8)  -.055(11)
  C26  .034(7)  .075(12)  .030(6)  -.025(8)  .012(5)  -.025(7)
  C31  .028(6)  .024(7)  .028(5)  -.009(6)  .006(5)  -.013(5)
  C32  .038(7)  .031(8)  .029(6)  -.009(6)  .009(5)  -.004(6)
  C33  .029(7)  .039(10)  .044(7)  .012(7)  -.011(6)  -.008(7)
  C34  .024(7)  .071(13)  .049(8)  .006(8)  -.005(6)  -.031(8)
  C35  .043(8)  .053(11)  .047(7)  -.021(8)  .008(7)  -.017(8)
  C36  .037(8)  .038(9)  .043(7)  -.013(7)  .008(6)  -.013(6)
  C51  .039(7)  .029(8)  .017(5)  -.010(6)  -.004(5)  -.009(5)
  C52  .21(2)  .055(12)  .033(7)  -.066(14)  .046(10)  -.029(8)
  C53  .23(3)  .088(18)  .054(10)  -.069(18)  .050(13)  -.054(11)
  C54  .110(14)  .041(11)  .030(7)  -.019(10)  .024(8)  -.007(7)
  C55  .035(7)  .034(9)  .035(6)  -.004(7)  .004(6)  -.006(6)
  C56  .031(6)  .016(7)  .032(6)  -.009(6)  .008(5)  -.008(5)
  C61  .025(6)  .030(8)  .045(7)  -.016(6)  .001(5)  -.021(6)
  C62  .045(9)  .020(8)  .091(10)  -.002(7)  -.044(8)  -.008(8)
  C63  .063(12)  .041(12)  .147(18)  .020(10)  -.068(12)  -.040(13)
  C64  .030(9)  .086(17)  .159(19)  .008(10)  -.019(11)  -.084(16)
  C65  .055(10)  .067(13)  .088(11)  -.043(10)  .025(9)  -.053(10)
  C66  .043(8)  .052(10)  .037(7)  -.016(7)  -.008(6)  -.023(7)
  C71  .020(6)  .042(9)  .032(6)  .004(6)  -.010(5)  -.022(6)
  C72  .037(8)  .035(9)  .031(6)  .003(7)  -.007(6)  -.014(6)
  C73  .022(7)  .062(11)  .030(6)  .009(7)  -.008(5)  -.018(7)
  C74  .036(8)  .078(12)  .048(8)  -.006(8)  -.008(6)  -.049(9)
  C75  .036(8)  .057(11)  .058(9)  -.004(8)  -.010(7)  -.032(8)
  C76  .041(7)  .021(7)  .037(6)  -.003(6)  -.005(6)  -.016(6)
  C81  .025(6)  .014(7)  .034(6)  -.006(5)  .003(5)  -.011(5)
  C82  .033(7)  .038(9)  .034(6)  -.022(7)  .002(6)  -.008(6)
  C83  .043(8)  .023(8)  .039(7)  -.004(7)  -.007(6)  .003(6)
  C84  .031(8)  .050(10)  .051(8)  -.006(7)  -.004(6)  -.022(8)
  C85  .035(8)  .051(10)  .047(7)  -.017(7)  .017(6)  -.024(7)
  C86  .042(8)  .019(7)  .029(6)  -.011(6)  -.002(5)  -.008(5)
  C91  .023(6)  .028(8)  .028(6)  -.007(6)  .000(5)  -.009(5)
  C92  .018(6)  .022(7)  .037(6)  -.004(5)  .005(5)  -.010(6)
  C93  .034(7)  .033(8)  .034(6)  .000(6)  -.002(5)  -.020(6)
  C94  .033(7)  .042(9)  .046(7)  -.007(7)  .003(6)  -.035(7)
  C95  .019(6)  .040(9)  .067(8)  -.009(6)  .011(6)  -.036(8)
  C96  .026(7)  .018(7)  .048(7)  -.009(6)  .012(5)  -.018(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 P3 . 2.307(3) y
  Au1 P1 . 2.307(3) y
  Au1 Au2 2_565 3.1037(15) y
  Au1 Au2 . 3.1850(14) y
  Au2 P2 . 2.237(3) y
  Au2 Cl2 . 2.285(3) y
  Au2 Au1 2_565 3.1037(15) y
  Au3 C81 . 2.014(11) y
  Au3 C91 . 2.065(10) y
  Au3 C71 . 2.071(10) y
  Au3 Cl1 . 2.330(3) y
  P1 C11 . 1.805(10) ?
  P1 C21 . 1.806(11) ?
  P1 C1 . 1.825(9) ?
  P2 C31 . 1.812(11) ?
  P2 C2 . 1.828(9) ?
  P2 C1 . 1.845(10) ?
  P3 C61 . 1.795(11) ?
  P3 C51 . 1.803(10) ?
  P3 C2 2_565 1.818(10) ?
  F1 C72 . 1.334(15) ?
  F2 C73 . 1.321(14) ?
  F3 C74 . 1.365(13) ?
  F4 C75 . 1.349(16) ?
  F5 C76 . 1.356(13) ?
  F6 C82 . 1.369(13) ?
  F7 C83 . 1.337(14) ?
  F8 C84 . 1.336(15) ?
  F9 C85 . 1.360(14) ?
  F10 C86 . 1.350(13) ?
  F11 C92 . 1.360(13) ?
  F12 C93 . 1.346(13) ?
  F13 C94 . 1.355(12) ?
  F14 C95 . 1.336(14) ?
  F15 C96 . 1.355(13) ?
  C1 H1A .  .9900 ?
  C1 H1B .  .9900 ?
  C2 P3 2_565 1.818(10) ?
  C2 H2A .  .9900 ?
  C2 H2B .  .9900 ?
  C11 C16 . 1.393(13) ?
  C11 C12 . 1.393(12) ?
  C12 C13 . 1.397(13) ?
  C12 H12 .  .9500 ?
  C13 C14 . 1.378(14) ?
  C13 H13 .  .9500 ?
  C14 C15 . 1.383(14) ?
  C14 H14 .  .9500 ?
  C15 C16 . 1.400(13) ?
  C15 H15 .  .9500 ?
  C16 H16 .  .9500 ?
  C21 C22 . 1.364(13) ?
  C21 C26 . 1.382(11) ?
  C22 C23 . 1.409(14) ?
  C22 H22 .  .9500 ?
  C23 C24 . 1.370(14) ?
  C23 H23 .  .9500 ?
  C24 C25 . 1.356(15) ?
  C24 H24 .  .9500 ?
  C25 C26 . 1.397(15) ?
  C25 H25 .  .9500 ?
  C26 H26 .  .9500 ?
  C31 C32 . 1.379(13) ?
  C31 C36 . 1.389(13) ?
  C32 C33 . 1.387(14) ?
  C32 H32 .  .9500 ?
  C33 C34 . 1.362(14) ?
  C33 H33 .  .9500 ?
  C34 C35 . 1.378(14) ?
  C34 H34 .  .9500 ?
  C35 C36 . 1.398(14) ?
  C35 H35 .  .9500 ?
  C36 H36 .  .9500 ?
  C51 C52 . 1.381(13) ?
  C51 C56 . 1.381(12) ?
  C52 C53 . 1.387(15) ?
  C52 H52 .  .9500 ?
  C53 C54 . 1.345(16) ?
  C53 H53 .  .9500 ?
  C54 C55 . 1.362(14) ?
  C54 H54 .  .9500 ?
  C55 C56 . 1.372(13) ?
  C55 H55 .  .9500 ?
  C56 H56 .  .9500 ?
  C61 C66 . 1.378(13) ?
  C61 C62 . 1.378(13) ?
  C62 C63 . 1.368(16) ?
  C62 H62 .  .9500 ?
  C63 C64 . 1.357(17) ?
  C63 H63 .  .9500 ?
  C64 C65 . 1.359(16) ?
  C64 H64 .  .9500 ?
  C65 C66 . 1.379(15) ?
  C65 H65 .  .9500 ?
  C66 H66 .  .9500 ?
  C71 C76 . 1.376(17) ?
  C71 C72 . 1.382(16) ?
  C72 C73 . 1.376(17) ?
  C73 C74 . 1.37(2) ?
  C74 C75 . 1.345(19) ?
  C75 C76 . 1.382(16) ?
  C81 C86 . 1.368(15) ?
  C81 C82 . 1.382(16) ?
  C82 C83 . 1.349(17) ?
  C83 C84 . 1.369(18) ?
  C84 C85 . 1.351(19) ?
  C85 C86 . 1.374(17) ?
  C91 C96 . 1.354(16) ?
  C91 C92 . 1.388(14) ?
  C92 C93 . 1.393(15) ?
  C93 C94 . 1.345(17) ?
  C94 C95 . 1.362(17) ?
  C95 F14 1 1.336(14) ?
  C95 C96 . 1.392(15) ?