data_2000674
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1425
_journal_page_last  1428
loop_
_publ_author_name
 'Bravic, G.'
 'Gaultier, J.'
 'Chasseau, D.'
 'Lequan, R.M.'
 'Lequan, M.'
_chemical_formula_sum  'C38 H25 Fe1 N8'
_chemical_formula_weight  649.5
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/m'
_symmetry_space_group_name_Hall  ?
_cell_length_a  7.914(2)
_cell_length_b  30.983(3)
_cell_length_c  6.6290(10)
_cell_angle_alpha  90.
_cell_angle_beta  102.380(10)
_cell_angle_gamma  90.
_cell_volume  1588
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.36
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  696
_exptl_absorpt_coefficient_mu  4.22
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Fe(1) .30905(6) .2500 .32813(8)
 C(11) .1110(4) .2500 .0656(5)
 C(12) .2029(3) .21104(7) .0782(4)
 C(13) .3838(3) .21050(8) .1059(4)
 C(14) .4718(4) .2500 .1234(6)
 C(111) -.0803(5) .2500 .0491(7)
 C(131) .4802(5) .16810(10)
        .1311(6)
 C(21) .4410(5) .22710(10)
       .6014(5)
 C(22) .2709(5) .21451(9) .5736(5)
 C(23) .1722(5) .2500 .5553(7)
 C(31) -.1708(3) .06349(6) .7015(3)
 C(32) -.2479(3) .02163(7) .6981(4)
 C(33) -.1498(3) -.01454(6) .7279(3)
 C(34) .0354(3) -.01235(6) .7637(3)
 C(35) .1130(3) .02989(6) .7700(3)
 C(36) .0138(3) .06577(6) .7379(4)
 C(311) -.2725(3) .10064(7) .6676(4)
 C(312) -.1989(3) .14248(7) .6620(4)
 N(313) -.1440(3) .17637(7) .6532(5)
 C(314) -.4559(3) .09954(7) .6376(4)
 N(315) -.6032(3) .09938(7) .6144(4)
 C(341) .1366(3) -.04922(6) .7931(4)
 C(342) .0646(3) -.09162(7) .7859(4)
 N(343) .0106(3) -.12547(7) .7815(4)
 C(344) .3203(3) -.04798(7) .8264(4)
 N(345) .4683(3) -.04799(7) .8535(4)
 H(112) -.100 .250 .193
 H(113) -.129 .224 -.025
 H(121) .140 .183 .069
 H(132) .429 .149 .015
 H(133) .605 .174 .125
 H(134) .476 .155 .266
 H(141) .600 .250 .137
 H(211) .543 .206 .622
 H(221) .228 .184 .570
 H(231) .041 .250 .530
 H(321) -.378 .020 .673
 H(331) -.208 -.044 .725
 H(351) .244 .033 .798
 H(361) .071 .095 .737