#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000596.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_2000596
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1612
_journal_page_last  1614
loop_
_publ_author_name
 'Alilou, E.H.'
 'Giorgi, M.'
 'Pierrot, M.'
 'Reglier, M.'
_chemical_formula_moiety  'C28 H40 Cl1 Cu2 N8,3(F6 P1)'
_chemical_formula_sum  'C28 H40 Cl1 Cu2 F18 N8 P3'
_chemical_formula_weight  1086.12
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_cell_length_a  16.428(4)
_cell_length_b  12.721(3)
_cell_length_c  12.526(6)
_cell_angle_alpha  90.
_cell_angle_beta  114.53(3)
_cell_angle_gamma  90.
_cell_volume  2381.7(2)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.51
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1092
_exptl_absorpt_coefficient_mu  2.304
_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
 C(1) .3855(5) .2873(7) .2683(7)
 C(2) .3086(7) .30300(10)
         .1678(8)
 C(3) .2343(7) .23200(10)
         .14600(10)
 C(4) .2430(6) .1519(9) .2288(8)
 C(5) .3200(5) .1471(7) .3252(8)
 C(6) .4681(6) .3540(8) .2957(8)
 C(7) .5467(6) .2853(9) .3055(8)
 Cl .500 .000 .500
 Cu .500 .19890(10)
      .500
 F(1) 1.0557(5) .000 1.1385(6)
 F(2) .9091(5) .000 1.0147(7)
 F(3) 1.000 -0.1214(7) 1.000
 F(7) .6693(5) .000 .4020(10)
 F(8) .7975(7) .000 .5668(8)
 F(9) .8764(5) .000 .4623(9)
 F(10) .7735(4) .1232(4) .4311(7)
 F(11) .750 .000 .2958(8)
 N(1) .3896(4) .2114(5) .3457(6)
 N(2) .5793(4) .2189(6) .4126(6)
 P(2) 1.000 .000 1.000
 P(3) .7738(2) .000 .4301(3)
 H1 .3062 .3578 .1053
 H2 .1750 .2466 .0686
 H3 .1874 .1077 .2077
 H4 .3233 .0915 .3854
 H5 .5944 .1456 .3914
 H6 .6384 .2545 .4713
 H7 .4826 .3919 .3718
 H8 .4539 .4062 .2272
 H9 .5274 .2330 .2335
 H10 .5983 .3306 .3060