#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000510.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_2000510
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1761
_journal_page_last  1764
loop_
_publ_author_name
 'Polam, J.R.'
 'Porter, L.C.'
_chemical_formula_moiety  'C46 H32 F12 Ni1 O6 P2'
_chemical_formula_sum  'C46 H32 F12 Ni1 O6 P2'
_chemical_formula_weight  1029.4
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.266(3)
_cell_length_b  11.385(3)
_cell_length_c  12.606(3)
_cell_angle_alpha  112.72
_cell_angle_beta  99.90(2)
_cell_angle_gamma  103.24
_cell_volume  1142.7(5)
_cell_formula_units_Z  1
_exptl_crystal_density_diffrn  1.496
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  522
_exptl_absorpt_coefficient_mu  0.587
_diffrn_radiation_type  'Mo K\a'
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Ni .0 .0 .0 .0340(10)
 P(1) -.16440(10)
       .13620(10)
       -.17140(10)
           .0400(10)
 F(1) -.2049(4) .1040(3) .3362(3) .106(2)
 F(2) -.1290(4) .3120(3) .3866(3) .120(2)
 F(3) -.3114(3) .1805(3) .2297(3) .102(2)
 F(4) .3579(4) .4678(3) .3651(3) .140(2)
 F(5) .4654(3) .3461(3) .2616(3) .115(2)
 F(6) .3485(4) .4455(3) .1908(3) .145(2)
 O(1) -.1135(3) .0602(2) .1261(2) .0430(10)
 O(2) .1906(3) .1657(2) .1077(2) .0440(10)
 O(3) -.0743(3) .1157(2) -.0743(2) .0480(10)
 C(1) -.1774(6) .1912(5) .2928(4) .061(3)
 C(2) -.0631(5) .1700(4) .2183(3) .042(2)
 C(3) .0792(5) .2705(4) .2602(3) .050(2)
 C(4) .1923(4) .2603(4) .2020(3) .042(2)
 C(5) .3410(6) .3805(4) .2556(4) .066(3)
 C(11) -.3792(3) -.0959(3) -.3601(3) .074(3)
 C(12) -.4242 -.2126 -.4680 .094(3)
 C(13) -.3181 -.2403 -.5325 .088(3)
 C(14) -.1669 -.1513 -.4890 .076(3)
 C(15) -.1219 -.0345 -.3810 .063(2)
 C(16) -.2281 -.0068 -.3166 .046(2)
 C(21) -.3816(3) .1409(3) -.0502(2) .050(2)
 C(22) -.5153 .1630 -.0224 .061(2)
 C(23) -.6018 .2157 -.0828 .070(3)
 C(24) -.5546 .2463 -.1711 .080(3)
 C(26) -.3344 .1714 -.1385 .043(2)
 C(31) -.0809(3) .2936(3) -.2903(2) .058(2)
 C(32) .0155 .4024 -.2974 .076(3)
 C(33) .1449 .4930 -.2008 .082(3)
 C(34) .1780 .4748 -.0972 .076(3)
 C(35) .0816 .3660 -.0901 .055(2)
 C(36) -.0478 .2754 -.1866 .042(2)