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#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/06/2000659.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000659
loop_
_publ_author_name
'Das, K.'
'Sinha, U. C.'
'Mathur, P.'
_publ_section_title
;
 Structure of a Te-methylene-Te bridged double-butterfly complex
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1386
_journal_page_last               1389
_journal_paper_doi               10.1107/S0108270191014488
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C7 H3 Fe2 O6 Te1),C1 H2 Te2'
_chemical_formula_sum            'C15 H8 Fe4 O12 Te4'
_chemical_formula_weight         1090.01
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.865(10)
_cell_length_b                   13.787(7)
_cell_length_c                   14.733(4)
_cell_volume                     5671.86
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    5.83
_exptl_crystal_density_diffrn    2.637
_exptl_crystal_F_000             4096
_cod_data_source_file            al0505.cif
_cod_data_source_block           al0505b
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000659
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe(1) .40650(10) .4995(2) .33290(10) .0043(2)
Fe(3) .40630(10) .0011(2) .07360(10) .0043(2)
C(11) .3699(5) .4926(16) .4093(10) .0064(13)
O(11) .3469(4) .4928(16) .4637(9) .0117(12)
C(31) .3703(5) .997(2) -.0393(11) .0083(14)
O(31) .3446(6) .9926(18) -.1171(9) .0149(14)
Te(1') .4385(2) .5559(4) .1943(4) .0034(6)
Te(2') .3358(2) .4533(5) .2007(4) .0044(7)
Fe(2') .3634(4) .6331(9) .2245(8) .0042(10)
Te(3') .4383(2) .0484(5) .2436(4) .0041(6)
Te(4') .3315(2) .9594(5) .1361(5) .0051(6)
Fe(4') .3648(4) .1395(8) .1524(9) .0042(11)
C(1') .5000 .643(6) .2500 .0013(9)
C(2') .275(3) .443(6) .257(5) .0023(9)
C(3') .5000 .160(8) .2500 .0035(10)
C(4') .268(3) -.046(5) .017(5) .0016(9)
C(12') .546(2) .435(5) .593(4) .0015(9)
O(12') .5190(19) .388(4) .533(4) .0021(9)
C(13') .438(2) .393(4) .344(5) .0013(9)
O(13') .445(2) .308(4) .366(4) .0029(9)
C(21') .402(4) .733(7) .261(6) .0035(10)
O(21') .419(3) .793(5) .322(5) .0042(9)
C(22') .344(3) .681(6) .113(5) .0029(10)
O(22') .327(2) .716(5) .035(4) .0033(9)
C(23') .325(3) .662(6) .280(5) .0027(9)
O(23') .294(2) .669(5) .322(4) .0034(9)
C(32') .420(3) .884(5) .046(5) .0025(9)
O(32') .440(2) .806(4) .059(4) .0027(9)
C(33') .447(2) .063(5) .020(5) .0017(9)
O(33') .484(2) .106(4) .020(4) .0025(9)
C(41') .397(2) .223(5) .127(5) .0019(9)
O(41') .4243(19) .290(4) .131(4) .0024(9)
C(42') .352(3) .181(6) .258(5) .0026(9)
O(42') .330(3) .213(5) .313(5) .0041(9)
C(43') .321(3) .173(6) .056(5) .0019(9)
O(43') .285(3) .210(6) .012(5) .0023(9)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C(1') Te(1') 2.13(5)
Fe(1) Te(2') 2.520(6)
Fe(2') Te(2') 2.600(13)
C(2') Te(2') 2.13(9)
Fe(2') Fe(1) 2.547(11)
C(11) Fe(1) 1.731(15)
C(13') Fe(1) 1.70(6)
C(22') Fe(2') 1.73(6)
C(21') Fe(2') 1.78(10)
C(23') Fe(2') 1.59(6)
Fe(3) Te(3') 2.526(6)
Fe(4') Te(3') 2.538(13)
C(3') Te(3') 2.34(7)
Te(4') Fe(3) 2.618(7)
Fe(4') Fe(3) 2.670(11)
C(31) Fe(3) 1.724(15)
C(33') Fe(3) 1.79(6)
C(32') Fe(3) 1.74(6)
Fe(4') Te(4') 2.651(13)
C(4') Te(4') 2.18(7)
C(43') Fe(4') 1.72(7)
C(42') Fe(4') 1.79(7)
C(41') Fe(4') 1.58(6)
O(11) C(11) 1.162(13)
O(12') C(12') 1.214(19)
O(13') C(13') 1.224(19)
O(22') C(22') 1.220(19)
O(21') C(21') 1.22(10)
O(23') C(23') 1.21(2)
O(31) C(31) 1.200(14)
O(33') C(33') 1.212(19)
O(32') C(32') 1.22(2)
O(43') C(43') 1.19(10)
O(42') C(42') 1.22(2)
O(41') C(41') 1.216(19)
