data_2000306
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1303
_journal_page_last  1305
loop_
_publ_author_name
 'Gou, S.-H.'
 'You, X.-Z.'
 'Xu, Z.'
 'Zhou, Z.-Y.'
 'Yu, K.-B.'
 'Yu, Y.-P.'
 'Zhu, D.-L.'
_chemical_formula_sum  'Cu1 C32 H30 F6 O6 S2 N4'
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P-1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.637(2)
_cell_length_b  9.820(2)
_cell_length_c  11.505(2)
_cell_angle_alpha  73.400(10)
_cell_angle_beta  65.410(10)
_cell_angle_gamma  69.290(10)
_cell_volume  913.76(3)
_cell_formula_units_Z  1
_exptl_crystal_density_diffrn  1.469
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  413
_exptl_absorpt_coefficient_mu  .782
_diffrn_radiation_type  mo
_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
 Cu 0 0 0 ?
 S .3101(2) -.4964(2) .0163(3) ?
 F1 -.4720(6) -.2560(6) .2650(8) ?
 F2 -.5188(6) -.0577(7) .1431(7) ?
 F3 -.4892(8) -.0626(10) .3138(7) ?
 N1 -.0009(7) -.0095(6) .1937(6) ?
 N2 .6861(13) .6250(10) .5519(9) ?
 O1 .0853(5) -.2176(4) .0174(4) ?
 O2 -.2316(5) -.0223(5) .0869(5) ?
 O3 .7431(11) .4308(8) .4590(9) ?
 C1 .3399(10) -.6808(8) .0729(9) ?
 C2 .2070(10) -.7180(7) .1474(9) ?
 C3 .0694(8) -.5978(7) .1641(8) ?
 C4 .1090(7) -.4653(7) .0967(7) ?
 C5 .0102(7) -.3132(7) .0860(6) ?
 C6 -.1524(8) -.2842(7) .1488(7) ?
 C7 -.2575(8) -.1443(7) .1430(7) ?
 C8 -.4351(9) -.1328(8) .2185(9) ?
 C9 .1093(8) -.1055(8) .2400(8) ?
 C10 .1134(8) -.1064(8) .3594(8) ?
 C11 -.0008(8) -.0022(7) .4372(7) ?
 C12 -.1152(9) .0976(8) .3867(8) ?
 C13 -.1118(9) .0906(8) .2667(8) ?
 C14 .700(3)   .5273(18) .4950(16) ?
 C15 .789(2)   .712(2)   .5229(19) ?
 C16 .535(2)   .659(3)   .6536(18) ?
 H1 .4425 -.7506 .0528 ?
 H3 -.0364 -.6056 .2150 ?
 H6 -.1955 -.3658 .1995 ?
 H2 .1990 -.8134 .1714 ?
 H9 .2226 -.1784 .1663 ?
 H10 .2005 -.1763 .3968 ?
 H12 -.2156 .1632 .4492 ?
 H13 -.2264 .1547 .2283 ?