data_global
_amcsd_formula_title 'CrFe(C5H5)(C11H80)Cl(NO)2'
loop_
_publ_author_name
'Wang Y P'
'Hwu J M'
'Wang S L'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 2305
_journal_page_last 2308
_publ_section_title
;
 Structure of Cl(NO)2Cr(n5-C5H4)C(O)(n5-C5H4)Fe(n5-C5H5)
;
_database_code_amcsd 0010221
_chemical_formula_sum 'Fe Cr Cl O3 N2 C16'
_cell_length_a 10.938
_cell_length_b 12.487
_cell_length_c 12.460
_cell_angle_alpha 90
_cell_angle_beta 111.43
_cell_angle_gamma 90
_cell_volume 1584.166
_exptl_crystal_density_diffrn      1.725
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe   0.75310   0.57880   0.10870   0.02600
Cr   0.24910   0.60760   0.44030   0.03000
Cl   0.44930   0.65070   0.58020   0.07500
O   0.97990   0.81740   0.26150   0.05000
O1   0.07470   0.69540   0.53960   0.08400
O2   0.20300   0.38990   0.48790   0.08500
N1   0.15350   0.66220   0.50880   0.04500
N2   0.23150   0.47790   0.47850   0.04700
C   0.98550   0.71930   0.26280   0.03200
C11   0.87000   0.65480   0.25450   0.03200
C12   0.74220   0.70000   0.21560   0.03600
C13   0.65120   0.61700   0.21440   0.03800
C14   0.72460   0.52080   0.25280   0.03500
C15   0.85840   0.54210   0.27590   0.03200
C21   0.11400   0.66990   0.27510   0.03200
C22   0.23050   0.73370   0.31030   0.04000
C23   0.33640   0.66590   0.31280   0.05000
C24   0.28570   0.56100   0.28130   0.04500
C25   0.15060   0.56340   0.25860   0.03500
C31   0.83240   0.59870  -0.01410   0.05500
C32   0.70690   0.64220  -0.05290   0.04800
C33   0.61730   0.55940  -0.05520   0.04100
C34   0.69070   0.46490  -0.01830   0.04000
C35   0.82350   0.48850   0.00760   0.04900