#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013139.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_2013139
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  m84
_journal_page_last  m86
_publ_section_title
;
[\m-o-Phenylenebis(diphenylphosphine)-\k^2^P:P']bis[chlorogold(I)],
dppbz(AuCl)~2~
;
loop_
_publ_author_name
  'Mohamed, Ahmed A.'
  'Krause Bauer, Jeanette A.'
  'Bruce, Alice E.'
  'Bruce, Mitchell R. M.'
_chemical_formula_moiety  'C30 H24 Au2 Cl2 P2'
_chemical_formula_sum  'C30 H24 Au2 Cl2 P2'
_chemical_formula_iupac  '[Au2 Cl2 (C30 H24 P2)]'
_chemical_formula_weight  911.27
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
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'
  '-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  16.9558(3)
_cell_length_b  18.1603(2)
_cell_length_c  22.22550(10)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  6843.73(15)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.769
_diffrn_ambient_temperature  293(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 0.135794(13) 0.818536(12) 0.485925(11) 0.04068(7) Uani d . 1 . . Au
  Au2 0.289535(14) 0.890413(13) 0.454850(11) 0.04387(7) Uani d . 1 . . Au
  Cl1 0.09958(11) 0.76355(11) 0.39730(8) 0.0657(5) Uani d . 1 . . Cl
  Cl2 0.34647(11) 0.77803(9) 0.43696(9) 0.0671(5) Uani d . 1 . . Cl
  P1 0.15885(9) 0.88150(8) 0.57083(7) 0.0379(3) Uani d . 1 . . P
  P2 0.24745(10) 1.00589(9) 0.46856(7) 0.0395(4) Uani d . 1 . . P
  C1 0.1029(3) 0.8481(3) 0.6350(2) 0.0389(13) Uani d . 1 . . C
  C2 0.0304(4) 0.8141(3) 0.6259(3) 0.0492(16) Uani d . 1 . . C
  H2A 0.0110 0.8098 0.5869 0.059 Uiso calc R 1 . . H
  C3 -0.0127(4) 0.7869(4) 0.6721(3) 0.0627(19) Uani d . 1 . . C
  H3A -0.0614 0.7649 0.6649 0.075 Uiso calc R 1 . . H
  C4 0.0160(5) 0.7920(4) 0.7298(3) 0.071(2) Uani d . 1 . . C
  H4A -0.0128 0.7726 0.7617 0.086 Uiso calc R 1 . . H
  C5 0.0874(5) 0.8259(5) 0.7405(3) 0.080(2) Uani d . 1 . . C
  H5A 0.1068 0.8301 0.7795 0.096 Uiso calc R 1 . . H
  C6 0.1297(4) 0.8536(4) 0.6925(3) 0.0643(19) Uani d . 1 . . C
  H6A 0.1778 0.8767 0.6997 0.077 Uiso calc R 1 . . H
  C7 0.2596(3) 0.8836(3) 0.5974(3) 0.0440(15) Uani d . 1 . . C
  C8 0.2947(4) 0.9461(4) 0.6204(3) 0.0517(16) Uani d . 1 . . C
  H8A 0.2649 0.9888 0.6243 0.062 Uiso calc R 1 . . H
  C9 0.3722(4) 0.9472(5) 0.6377(3) 0.068(2) Uani d . 1 . . C
  H9A 0.3951 0.9901 0.6524 0.081 Uiso calc R 1 . . H
  C10 0.4154(4) 0.8835(6) 0.6329(3) 0.078(3) Uani d . 1 . . C
  H10A 0.4680 0.8839 0.6447 0.094 Uiso calc R 1 . . H
  C11 0.3837(4) 0.8198(5) 0.6115(3) 0.073(2) Uani d . 1 . . C
  H11A 0.4142 0.7773 0.6092 0.087 Uiso calc R 1 . . H
  C12 0.3060(4) 0.8190(4) 0.5932(3) 0.0593(18) Uani d . 1 . . C
  H12A 0.2840 0.7759 0.5781 0.071 Uiso calc R 1 . . H
  C13 0.1280(3) 0.9774(3) 0.5595(2) 0.0398(14) Uani d . 1 . . C
  C14 0.1609(3) 1.0240(3) 0.5150(3) 0.0370(13) Uani d . 1 . . C
  C15 0.1266(4) 1.0934(3) 0.5069(3) 0.0467(15) Uani d . 1 . . C
  H15A 0.1464 1.1238 0.4768 0.056 Uiso calc R 1 . . H
  C16 0.0645(4) 1.1189(3) 0.5415(3) 0.0524(17) Uani d . 1 . . C
  H16A 0.0439 1.1658 0.5356 0.063 Uiso calc R 1 . . H
  C17 0.0340(4) 1.0729(4) 0.5846(3) 0.0608(19) Uani d . 1 . . C
  H17A -0.0080 1.0887 0.6082 0.073 Uiso calc R 1 . . H
  C18 0.0652(4) 1.0030(3) 0.5935(3) 0.0551(18) Uani d . 1 . . C
  H18A 0.0435 0.9727 0.6230 0.066 Uiso calc R 1 . . H
  C19 0.3252(4) 1.0625(3) 0.5012(2) 0.0400(14) Uani d . 1 . . C
  C20 0.4007(4) 1.0541(4) 0.4790(3) 0.0538(17) Uani d . 1 . . C
  H20A 0.4098 1.0214 0.4475 0.065 Uiso calc R 1 . . H
  C21 0.4635(4) 1.0941(4) 0.5031(3) 0.063(2) Uani d . 1 . . C
  H21A 0.5140 1.0882 0.4876 0.076 Uiso calc R 1 . . H
  C22 0.4508(4) 1.1412(4) 0.5488(3) 0.0619(19) Uani d . 1 . . C
  H22A 0.4928 1.1676 0.5650 0.074 Uiso calc R 1 . . H
  C23 0.3757(4) 1.1505(4) 0.5720(3) 0.0617(19) Uani d . 1 . . C
  H23A 0.3676 1.1823 0.6042 0.074 Uiso calc R 1 . . H
  C24 0.3122(4) 1.1124(3) 0.5471(3) 0.0527(16) Uani d . 1 . . C
  H24A 0.2614 1.1205 0.5614 0.063 Uiso calc R 1 . . H
  C25 0.2224(3) 1.0478(3) 0.3963(3) 0.0447(15) Uani d . 1 . . C
  C26 0.2502(4) 1.1160(4) 0.3797(3) 0.0547(17) Uani d . 1 . . C
  H26A 0.2843 1.1416 0.4049 0.066 Uiso calc R 1 . . H
  C27 0.2272(5) 1.1460(4) 0.3256(3) 0.068(2) Uani d . 1 . . C
  H27A 0.2453 1.1924 0.3144 0.082 Uiso calc R 1 . . H
  C28 0.1781(5) 1.1079(5) 0.2884(3) 0.080(2) Uani d . 1 . . C
  H28A 0.1628 1.1285 0.2519 0.095 Uiso calc R 1 . . H
  C29 0.1513(5) 1.0399(6) 0.3041(4) 0.090(3) Uani d . 1 . . C
  H29A 0.1176 1.0146 0.2783 0.108 Uiso calc R 1 . . H
  C30 0.1734(4) 1.0083(4) 0.3578(3) 0.067(2) Uani d . 1 . . C
  H30A 0.1560 0.9614 0.3681 0.081 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 0.03905(13) 0.04091(13) 0.04208(13) 0.00083(11) 0.00073(11) -0.00414(11)
  Au2 0.04114(14) 0.03848(13) 0.05201(14) 0.00123(11) 0.00902(11) -0.00405(11)
  Cl1 0.0616(11) 0.0775(13) 0.0581(11) 0.0126(9) -0.0093(9) -0.0255(9)
  Cl2 0.0608(12) 0.0450(10) 0.0954(14) 0.0077(8) 0.0168(10) -0.0132(9)
  P1 0.0376(9) 0.0366(9) 0.0395(8) 0.0006(7) 0.0017(7) -0.0002(7)
  P2 0.0382(9) 0.0377(9) 0.0427(9) 0.0002(7) 0.0043(7) -0.0016(7)
  C1 0.038(3) 0.043(3) 0.035(3) 0.005(3) 0.000(3) -0.004(3)
  C2 0.052(4) 0.056(4) 0.040(4) -0.009(3) 0.007(3) -0.005(3)
  C3 0.051(4) 0.073(5) 0.065(5) -0.012(4) 0.008(4) -0.009(4)
  C4 0.066(5) 0.087(6) 0.061(5) -0.014(4) 0.021(4) 0.008(4)
  C5 0.076(6) 0.123(7) 0.041(4) -0.010(5) -0.001(4) 0.000(4)
  C6 0.057(5) 0.086(5) 0.050(4) -0.014(4) 0.002(4) 0.006(4)
  C7 0.037(3) 0.057(4) 0.038(3) 0.004(3) 0.005(3) 0.006(3)
  C8 0.055(4) 0.049(4) 0.051(4) -0.006(3) -0.009(3) 0.002(3)
  C9 0.052(5) 0.078(6) 0.072(5) -0.013(4) -0.016(4) 0.017(4)
  C10 0.046(5) 0.132(8) 0.057(5) -0.010(5) -0.007(4) 0.015(5)
  C11 0.055(5) 0.096(6) 0.067(5) 0.032(5) -0.007(4) -0.006(5)
  C12 0.054(4) 0.065(5) 0.059(4) 0.014(4) -0.002(3) -0.007(4)
  C13 0.035(3) 0.044(3) 0.040(3) 0.007(3) 0.000(3) 0.001(3)
  C14 0.035(3) 0.035(3) 0.040(3) 0.003(2) 0.000(3) -0.004(3)
  C15 0.045(4) 0.041(3) 0.054(4) 0.008(3) 0.007(3) 0.009(3)
  C16 0.047(4) 0.043(4) 0.067(4) 0.011(3) 0.001(3) 0.010(3)
  C17 0.044(4) 0.066(5) 0.073(5) 0.022(3) 0.008(4) -0.005(4)
  C18 0.064(5) 0.053(4) 0.048(4) 0.008(3) 0.016(3) 0.007(3)
  C19 0.038(3) 0.042(3) 0.040(4) 0.005(3) -0.001(3) 0.006(3)
  C20 0.047(4) 0.060(4) 0.055(4) -0.002(3) 0.004(3) -0.003(3)
  C21 0.044(4) 0.080(5) 0.066(5) -0.002(4) 0.006(3) 0.003(4)
  C22 0.044(4) 0.062(5) 0.080(5) -0.006(3) -0.008(4) 0.008(4)
  C23 0.070(5) 0.050(4) 0.065(5) -0.008(4) -0.004(4) -0.010(4)
  C24 0.048(4) 0.047(4) 0.063(4) -0.005(3) -0.002(3) -0.004(3)
  C25 0.037(4) 0.052(4) 0.044(4) 0.003(3) -0.001(3) 0.001(3)
  C26 0.055(4) 0.057(5) 0.052(4) 0.002(3) 0.005(3) 0.001(3)
  C27 0.087(6) 0.061(5) 0.057(5) 0.021(4) 0.012(4) 0.014(4)
  C28 0.088(6) 0.108(7) 0.042(4) 0.020(6) -0.010(4) 0.004(5)
  C29 0.083(7) 0.114(8) 0.074(6) -0.020(6) -0.026(5) 0.006(5)
  C30 0.071(5) 0.075(5) 0.056(5) -0.017(4) -0.010(4) 0.003(4)
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 P1 . 2.2408(15) y
  Au1 Cl1 . 2.2921(16) y
  Au1 Au2 . 2.9960(3) y
  Au2 P2 . 2.2360(16) y
  Au2 Cl2 . 2.2925(16) y
  P1 C7 . 1.807(6) n
  P1 C1 . 1.817(6) n
  P1 C13 . 1.837(6) n
  P2 C19 . 1.821(6) n
  P2 C14 . 1.824(6) n
  P2 C25 . 1.828(6) n
  C1 C6 . 1.360(8) n
  C1 C2 . 1.391(8) n
  C2 C3 . 1.355(8) n
  C2 H2A . 0.9300 n
  C3 C4 . 1.374(10) n
  C3 H3A . 0.9300 n
  C4 C5 . 1.379(10) n
  C4 H4A . 0.9300 n
  C5 C6 . 1.380(9) n
  C5 H5A . 0.9300 n
  C6 H6A . 0.9300 n
  C7 C8 . 1.381(8) n
  C7 C12 . 1.415(8) n
  C8 C9 . 1.369(9) n
  C8 H8A . 0.9300 n
  C9 C10 . 1.372(11) n
  C9 H9A . 0.9300 n
  C10 C11 . 1.362(11) n
  C10 H10A . 0.9300 n
  C11 C12 . 1.379(9) n
  C11 H11A . 0.9300 n
  C12 H12A . 0.9300 n
  C13 C18 . 1.386(8) n
  C13 C14 . 1.415(8) n
  C14 C15 . 1.401(8) n
  C15 C16 . 1.383(8) n
  C15 H15A . 0.9300 n
  C16 C17 . 1.373(9) n
  C16 H16A . 0.9300 n
  C17 C18 . 1.389(8) n
  C17 H17A . 0.9300 n
  C18 H18A . 0.9300 n
  C19 C20 . 1.381(9) n
  C19 C24 . 1.384(8) n
  C20 C21 . 1.396(9) n
  C20 H20A . 0.9300 n
  C21 C22 . 1.345(9) n
  C21 H21A . 0.9300 n
  C22 C23 . 1.384(9) n
  C22 H22A . 0.9300 n
  C23 C24 . 1.394(9) n
  C23 H23A . 0.9300 n
  C24 H24A . 0.9300 n
  C25 C26 . 1.374(8) n
  C25 C30 . 1.392(9) n
  C26 C27 . 1.377(9) n
  C26 H26A . 0.9300 n
  C27 C28 . 1.363(11) n
  C27 H27A . 0.9300 n
  C28 C29 . 1.361(11) n
  C28 H28A . 0.9300 n
  C29 C30 . 1.377(10) n
  C29 H29A . 0.9300 n
  C30 H30A . 0.9300 n