Crystallography Open Database

Information card for entry 7009745

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Coordinates	7009745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Fe N8 O6
Calculated formula	C32 H26 Fe N8 O6
Title of publication	Structures and spectra of bis-tripodal iron(II) chelates, [FeL2]2+, where L = tris(pyrazol-1-yl)methane, tris(pyridin-2-yl)methane, bis(pyrazol-1-yl)(pyridin-2-yl)methane and tris(pyridin-2-yl)phosphine oxide. Magnetism and spin crossover in the (pz)3CH case
Authors of publication	Anderson, Peter A.; Astley, Timothy; Hitchman, Michael A.; Keene, F. Richard; Moubaraki, Boujemaa; Murray, Keith S.; Skelton, Brian W.; Tiekink, Edward R. T.; Toftlund, Hans; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	20
Pages of publication	3505
a	8.539 ± 0.004 Å
b	10.405 ± 0.004 Å
c	16.5 ± 0.01 Å
α	90°
β	102.99 ± 0.04°
γ	90°
Cell volume	1428.5 ± 1.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0438
Goodness-of-fit parameter for significantly intense reflections	2.438
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo_Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009745.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009745.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009745.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	7009745.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009745.cif