data_2005509
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2404
_journal_page_last    	2406
_publ_section_title    	
;
1,5-Diferrocenylnaphthalene
;
_chemical_formula_iupac    	'[Fe2 (C5 H5)2 (C20 H14)]'
_chemical_formula_sum    	'C30 H24 Fe2'
_chemical_formula_weight    	496.19
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	9.657(4)
_cell_length_b    	10.749(3)
_cell_length_c    	10.996(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	110.44(3)
_cell_angle_gamma    	90.00
_cell_volume    	1069.6(6)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.541
_cell_measurement_temperature    	166(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Fe1 1 0.01900(5) 0.64381(5) 0.29416(5) 0.0180(2)
    C1 1 0.0633(4) 0.4888(3) 0.2078(3) 0.0245(8)
    H1 1 0.1480 0.4765 0.1842 0.029
    C2 1 0.0506(4) 0.4573(3) 0.3282(3) 0.0266(9)
    H2 1 0.1250 0.4195 0.3995 0.032
    C3 1 -0.0922(4) 0.4919(3) 0.3235(3) 0.0264(9)
    H3 1 -0.1305 0.4816 0.3915 0.032
    C4 1 -0.1688(4) 0.5449(3) 0.1996(3) 0.0256(8)
    H4 1 -0.2669 0.5763 0.1704 0.031
    C5 1 -0.0731(4) 0.5425(3) 0.1279(3) 0.0243(8)
    H5 1 -0.0956 0.5714 0.0415 0.029
    C6 1 0.0692(4) 0.8169(3) 0.2425(3) 0.0195(8)
    C7 1 0.1958(4) 0.7590(3) 0.3324(3) 0.0236(8)
    H7 1 0.2848 0.7406 0.3176 0.028
    C8 1 0.1676(4) 0.7337(3) 0.4471(3) 0.0257(9)
    H8 1 0.2344 0.6959 0.5231 0.031
    C9 1 0.0230(4) 0.7739(3) 0.4295(3) 0.0240(8)
    H9 1 -0.0247 0.7682 0.4916 0.029
    C10 1 -0.0385(4) 0.8244(3) 0.3034(3) 0.0238(8)
    H10 1 -0.1353 0.8577 0.2656 0.029
    C11 1 0.1051(4) 0.7834(3) 0.0317(3) 0.0212(8)
    H11 1 0.1444 0.7039 0.0632 0.025
    C12 1 0.0581(3) 0.8596(3) 0.1100(3) 0.0181(7)
    C13 1 0.0040(4) 0.9814(3) 0.0643(3) 0.0186(8)
    C14 1 -0.0409(4) 1.0675(3) 0.1399(3) 0.0220(8)
    H14 1 -0.0317 1.0458 0.2261 0.026
    C15 1 -0.0969(4) 1.1807(3) 0.0928(3) 0.0237(8)
    H15 1 -0.1305 1.2354 0.1445 0.028