#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005506.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_2005506
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_chemical_formula_iupac    	'[Au2 Cl2 (C25 H20 F2 P2)]'
_chemical_formula_sum    	'C25 H20 Au2 Cl2 F2 P2'
_chemical_formula_weight    	885.18
_symmetry_cell_setting    	orthorhombic
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'
_symmetry_space_group_name_H-M    	'P 21 21 21'
_cell_length_a    	12.998(4)
_cell_length_b    	13.719(3)
_cell_length_c    	13.873(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.00
_cell_angle_gamma    	90.00
_cell_volume    	2473.8(11)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	2.377
_cell_measurement_temperature    	178(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Au1 1 0.43218(3) 0.31964(3) 0.83491(3) 0.02645(10)
    Au2 1 0.27217(3) 0.26527(3) 0.67377(3) 0.02627(10)
    P1 1 0.5197(2) 0.3729(2) 0.7077(2) 0.0239(6)
    P2 1 0.3946(2) 0.2380(2) 0.5643(2) 0.0248(6)
    Cl1 1 0.3519(2) 0.2602(2) 0.9702(2) 0.0328(6)
    Cl2 1 0.1367(2) 0.2987(2) 0.7749(2) 0.0290(6)
    C1 1 0.5252(8) 0.2694(8) 0.6176(7) 0.022(2)
    F1 1 0.5574(4) 0.1876(4) 0.6666(5) 0.0322(13)
    F2 1 0.5964(5) 0.2857(4) 0.5491(5) 0.0322(15)
    C11 1 0.4665(7) 0.4723(8) 0.6370(7) 0.024(2)
    C12 1 0.3759(7) 0.5141(7) 0.6685(8) 0.026(2)
    H12 1 0.3437(7) 0.4916(7) 0.7258(8) 0.031
    C13 1 0.3323(9) 0.5892(8) 0.6157(9) 0.033(2)
    H13 1 0.2702(9) 0.6186(8) 0.6372(9) 0.040
    C14 1 0.3788(8) 0.6219(8) 0.5312(8) 0.031(2)
    H14 1 0.3486(8) 0.6730(8) 0.4948(8) 0.038
    C15 1 0.4705(9) 0.5786(8) 0.5006(9) 0.036(2)
    H15 1 0.5034(9) 0.6006(8) 0.4434(9) 0.043
    C16 1 0.5134(9) 0.5030(8) 0.5542(8) 0.031(2)
    H16 1 0.5752(9) 0.4729(8) 0.5332(8) 0.037
    C21 1 0.6535(9) 0.4005(7) 0.7294(7) 0.026(2)
    C22 1 0.6935(8) 0.4943(8) 0.7153(7) 0.026(2)
    H22 1 0.6499(8) 0.5448(8) 0.6924(7) 0.031
    C23 1 0.7953(8) 0.5141(9) 0.7345(8) 0.033(2)
    H23 1 0.8220(8) 0.5779(9) 0.7248(8) 0.039
    C24 1 0.8585(9) 0.4404(7) 0.7679(8) 0.034(2)
    H24 1 0.9290(9) 0.4538(7) 0.7799(8) 0.040
    C25 1 0.8207(9) 0.3469(9) 0.7842(9) 0.040(3)
    H25 1 0.8643(9) 0.2969(9) 0.8082(9) 0.048
    C26 1 0.7189(9) 0.3286(8) 0.7649(8) 0.033(2)
    H26 1 0.6923(9) 0.2651(8) 0.7762(8) 0.040
    C31 1 0.4096(8) 0.1138(8) 0.5249(7) 0.030(2)
    C32 1 0.5005(9) 0.0783(8) 0.4864(8) 0.035(3)
    H32 1 0.5578(9) 0.1205(8) 0.4784(8) 0.042
    C33 1 0.5081(10) -0.0198(9) 0.4591(9) 0.040(3)
    H33 1 0.5706(10) -0.0442(9) 0.4329(9) 0.048
    C34 1 0.4248(9) -0.0810(9) 0.4704(8) 0.041(3)
    H34 1 0.4302(9) -0.1474(9) 0.4516(8) 0.049
    C35 1 0.3339(11) -0.0467(8) 0.5086(9) 0.043(3)
    H35 1 0.2767(11) -0.0891(8) 0.5168(9) 0.052
    C36 1 0.3271(9) 0.0502(8) 0.5347(8) 0.032(2)
    H36 1 0.2641(9) 0.0741(8) 0.5601(8) 0.038
    C41 1 0.3814(8) 0.3162(8) 0.4599(8) 0.031(2)
    C42 1 0.3027(8) 0.3842(8) 0.4582(8) 0.032(2)
    H42 1 0.2553(8) 0.3885(8) 0.5101(8) 0.038
    C43 1 0.2941(9) 0.4457(8) 0.3801(8) 0.037(3)
    H43 1 0.2409(9) 0.4932(8) 0.3785(8) 0.044
    C44 1 0.3613(8) 0.4388(9) 0.3050(8) 0.035(3)
    H44 1 0.3557(8) 0.4831(9) 0.2526(8) 0.042
    C45 1 0.4370(9) 0.3690(8) 0.3037(8) 0.032(2)
    H45 1 0.4821(9) 0.3636(8) 0.2500(8) 0.039
    C46 1 0.4468(8) 0.3066(8) 0.3813(8) 0.031(2)
    H46 1 0.4981(8) 0.2573(8) 0.3809(8) 0.037