#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010370.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_2010370
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  34
_journal_page_last  37
_publ_section_title
;
[\m-C(OC~2~H~5~)(CO)~4~Fe~2~C{(OC~2~H~5~)(p-CF~3~C~6~H~4~)(\h-
C~7~H~7~)}]
;
loop_
_publ_author_name
  'Chen, J.'
  'Zheng, P-J.'
  'Yu, Y.'
  'Chen, J-B.'
_chemical_formula_sum  'C24 H21 F3 Fe2 O6'
_chemical_formula_weight  574.12
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_cell_length_a  24.725(8)
_cell_length_b  14.544(2)
_cell_length_c  13.9500(10)
_cell_angle_alpha  90
_cell_angle_beta  103.10(6)
_cell_angle_gamma  90
_cell_volume  4886.2(2)
_cell_formula_units_Z  8
_cell_measurement_temperature  289
_exptl_crystal_density_diffrn  1.561
_refine_ls_R_factor_obs  0.045
_refine_ls_wR_factor_obs  0.047
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Fe(1) .64254(4) .27746(7) .06476(7)
  Fe(2) .63480(4) .29513(7) .25173(6)
  F(1) .5652(3) .1891(4) .7209(4)
  F(2) .6153(3) .0778(6) .7565(4)
  F(3) .5388(3) .0605(6) .6752(4)
  O(1) .7600(2) .3300(5) .1018(5)
  O(2) .6187(4) .3846(5) -.1129(5)
  O(3) .5687(2) .3679(4) .3792(4)
  O(4) .7330(3) .4065(5) .3335(5)
  O(10) .5841(2) .4351(3) .1064(3)
  O(60) .7225(2) .1610(3) .3600(4)
  C(1) .7135(3) .3099(5) .0857(6)
  C(2) .6278(4) .3407(7) -.0429(6)
  C(3) .5953(3) .3409(5) .3291(5)
  C(4) .6957(3) .3621(5) .3017(6)
  C(10) .6117(3) .3595(5) .1394(5)
  C(60) .6645(3) .1705(4) .3387(5)
  C(61) .6411(3) .1560(4) .4271(4)
  C(62) .6627(3) .2045(6) .5111(5)
  C(63) .6439(3) .1925(6) .5964(5)
  C(64) .6019(3) .1282(5) .5965(5)
  C(65) .5819(3) .0778(5) .5144(5)
  C(66) .6013(3) .0902(5) .4294(5)
  C(71) .6345(3) .1573(4) .2403(4)
  C(72) .5783(3) .1872(5) .2179(5)
  C(73) .5404(3) .1839(6) .1184(5)
  C(74) .5638(3) .2103(6) .0315(5)
  C(75) .6056(4) .1600(6) -.0020(5)
  C(76) .6534(3) .1370(5) .0641(5)
  C(77) .6691(3) .1569(5) .1677(5)
  C(101) .5635(3) .4966(5) .1729(5)
  C(102) .5412(4) .5806(6) .1181(7)
  C(601) .7394(3) .0662(6) .3834(6)
  C(602) .8006(4) .0617(7) .3867(9)
  C(641) .5815(4) .1180(6) .6857(6)
  H(62) .6921 .2484 .5189
  H(63) .6519 .2274 .6647
  H(65) .5685 .0207 .5408
  H(66) .5827 .0420 .3759
  H(72) .5552 .1871 .2686
  H(74) .5421 .2488 -.0209
  H(75) .5977 .1450 -.0828
  H(76) .6829 .1045 .0432
  H(77) .7138 .1745 .1969
  H(731) .5148 .2273 .1250
  H(732) .5292 .1035 .1054
  H(111) .5288 .4578 .1894
  H(112) .5835 .4991 .2519
  H(121) .5287 .6252 .1664
  H(122) .5148 .5837 .0437
  H(123) .5728 .5965 .0939
  H(611) .7366 .0619 .4587
  H(612) .7361 .0423 .3106
  H(621) .8173 .0011 .3912
  H(622) .8344 .1065 .4391
  H(623) .7934 .0901 .3237
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  Fe(1) Fe(2) 2.6710(10)
  yes
  Fe(1) C(1) 1.776(9) yes
  Fe(1) C(2) 1.729(8) yes
  Fe(1) C(10) 1.857(7) yes
  Fe(1) C(74) 2.133(8) yes
  Fe(1) C(75) 2.059(8) yes
  Fe(1) C(76) 2.061(8) yes
  Fe(1) C(77) 2.267(7) yes
  Fe(2) C(3) 1.743(8) yes
  Fe(2) C(4) 1.797(7) yes
  Fe(2) C(10) 1.804(6) yes
  Fe(2) C(60) 2.212(6) yes
  Fe(2) C(71) 2.011(6) yes
  Fe(2) C(72) 2.084(6) yes
  F(1) C(641) 1.260(10)
  yes
  F(2) C(641) 1.28(2) yes
  F(3) C(641) 1.330(10)
  yes
  O(1) C(1) 1.160(10)
  yes
  O(2) C(2) 1.15(2) yes
  O(3) C(3) 1.130(10)
  yes
  O(4) C(4) 1.140(10)
  yes
  O(10) C(10) 1.320(9) yes
  O(10) C(101) 1.460(9) yes
  O(60) C(60) 1.404(8) yes
  O(60) C(601) 1.456(9) yes
  C(60) C(61) 1.490(10)
  yes
  C(60) C(71) 1.417(8) yes
  C(61) C(62) 1.368(9) yes
  C(61) C(66) 1.380(10)
  yes
  C(62) C(63) 1.380(10)
  yes
  C(63) C(64) 1.400(10)
  yes
  C(64) C(641) 1.450(10)
  yes
  C(71) C(72) 1.420(10)
  yes
  C(72) C(73) 1.490(9) yes
  C(74) C(75) 1.430(10)
  yes
  C(76) C(77) 1.438(9) yes
  C(601) C(602) 1.500(10)
  yes
  C(64) C(65) 1.355(9) yes
  C(65) C(66) 1.39(2) yes
  C(71) C(77) 1.47(2) yes
  C(73) C(74) 1.510(10)
  yes
  C(75) C(76) 1.37(2) yes
  C(101) C(102) 1.490(10)
  yes