#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2001853.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_2001853
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 472
_journal_page_last 475
loop_
_publ_author_name
'Staples, R.J.'
'King, C.'
'Khan, M.N.I.'
'Winpenney, R.E.P.'
'Fackler,Jr. J.P.'
_chemical_formula_moiety 'C36 H30 Au1 P2,F6 P1'
_chemical_formula_sum 'C36 H30 Au1 F6 P3'
_chemical_formula_weight 866.5
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_cell_length_a 9.9270(10)
_cell_length_b 20.086(5)
_cell_length_c 17.500(5)
_cell_angle_alpha  90
_cell_angle_beta 96.720(10)
_cell_angle_gamma  90
_cell_volume 3465.0(10)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.66
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1696
_exptl_absorpt_coefficient_mu 4.428
_diffrn_radiation_type Mo
_diffrn_radiation_wavelength 0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Au .07060(10)
.72140(10)
 .52160(10)
  .0550(10)
P(1) -.0642(3) .79150(10)
.4403(2) .0500(10)
P(2) .2035(3) .64770(10)
   .59860(10)
.0520(10)
C(11) -.2845(7) .8718(3) .4646(4) .072(5)
C(12) -.4077(7) .8841(3) .4929(4) .077(5)
C(13) -.4692(7) .8343(3) .5322(4) .076(5)
C(14) -.4074(7) .7721(3) .5431(4) .089(6)
C(15) -.2842(7) .7597(3) .5148(4) .070(5)
C(16) -.2227(7) .8096(3) .4756(4) .048(3)
C(21) .1140(7) .8934(3) .4818(3) .070(4)
C(22) .1789(7) .9539(3) .4718(3) .093(6)
C(23) .1462(7) .9905(3) .4044(3) .102(6)
C(24) .0486(7) .9667(3) .3471(3) .094(6)
C(25) -.0163(7) .9063(3) .3571(3) .071(5)
C(26) .0164(7) .8696(3) .4244(3) .051(4)
C(31) .0004(6) .7301(4) .3088(4) .076(5)
C(32) -.0273(6) .6969(4) .2387(4) .093(6)
C(33) -.1613(6) .6871(4) .2067(4) .111(7)
C(34) -.2676(6) .7106(4) .2449(4) .147(9)
C(35) -.2398(6) .7437(4) .3150(4) .113(7)
C(36) -.1058(6) .7535(4) .3470(4) .056(4)
C(41) .3040(7) .7453(3) .7003(4) .066(4)
C(42) .3616(7) .7695(3) .7714(4) .086(5)
C(43) .3785(7) .7272(3) .8351(4) .083(5)
C(44) .3378(7) .6608(3) .8277(4) .082(5)
C(45) .2802(7) .6367(3) .7565(4) .067(4)
C(46) .2632(7) .6789(3) .6928(4) .053(4)
C(51) .3507(8) .6231(4) .4781(4) .079(5)
C(52) .4661(8) .6038(4) .4453(4) .108(7)
C(53) .5844(8) .5870(4) .4924(4) .121(8)
C(54) .5874(8) .5895(4) .5723(4) .124(8)
C(55) .4719(8) .6088(4) .6050(4) .078(5)
C(56) .3536(8) .6256(4) .5580(4) .059(4)
C(61) -.0236(7) .5726(4) .6204(6) .166(10)
C(62) -.0918(7) .5140(4) .6346(6) .200(11)
C(63) -.0217(7) .4537(4) .6415(6) .127(8)
C(64) .1167(7) .4520(4) .6340(6) .153(10)
C(65) .1849(7) .5106(4) .6198(6) .133(8)
C(66) .1147(7) .5709(4) .6129(6) .060(4)
P(3) .4048(3) .9695(2) .7035(2) .087(2)
F(1) .3374(10) .9487(4) .7728(4) .212(7)
F(2) .5114(18) 1.0069(12) .7555(6) .24(2)
F(3) .492(2)   .9076(7) .7115(11) .177(17)
F(4) .2980(18) .9321(12) .6518(6) .34(3)
F(5) .318(2)   1.0314(7) .6956(11) .20(2)
F(6) .4719(10) .9903(4) .6341(5) .212(7)
F(2a) .397(3)   .8987(4) .6743(10) .20(2)
F(3a) .2673(7) .9838(15) .6600(8) .21(2)
F(4a) .413(3)   1.0404(4) .7328(10) .20(2)
F(5a) .5422(7) .9552(15) .7472(9) .26(3)
H(11) -.2421 .9061 .4376 ?
H(12) -.4502 .9269 .4854 ?
H(13) -.5540 .8427 .5517 ?
H(14) -.4497 .7377 .5702 ?
H(15) -.2416 .7169 .5224 ?
H(21) .1365 .8682 .5281 ?
H(22) .2460 .9702 .5112 ?
H(23) .1908 1.0321 .3976 ?
H(24) .0261 .9919 .3008 ?
H(25) -.0835 .8899 .3177 ?
H(31) .0927 .7368 .3308 ?
H(32) .0459 .6808 .2124 ?
H(33) -.1804 .6643 .1585 ?
H(34) -.3598 .7039 .2229 ?
H(35) -.3130 .7599 .3413 ?
H(41) .2923 .7743 .6564 ?
H(42) .3896 .8151 .7765 ?
H(43) .4182 .7439 .8841 ?
H(44) .3495 .6318 .8715 ?
H(45) .2521 .5910 .7514 ?
H(51) .2692 .6347 .4457 ?
H(52) .4641 .6021 .3904 ?
H(53) .6639 .5737 .4699 ?
H(54) .6688 .5780 .6047 ?
H(55) .4739 .6106 .6600 ?
H(61) -.0719 .6141 .6156 ?
H(62) -.1870 .5152 .6398 ?
H(63) -.0686 .4134 .6513 ?
H(64) .1649 .4105 .6387 ?
H(65) .2801 .5095 .6146 ?