Crystallography Open Database

Information card for entry 4319353

4319352 << 4319353 >> 4319354

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Coordinates	4319353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 Cl2 Fe N6 O8
Calculated formula	C30 H22 Cl2 Fe N6 O8.5
Title of publication	Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study
Authors of publication	Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1143 - 1150
a	8.8102 ± 0.0006 Å
b	8.8967 ± 0.0006 Å
c	19.9231 ± 0.0013 Å
α	90°
β	100.712 ± 0.001°
γ	90°
Cell volume	1534.39 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179273 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/93.	4319353.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319353.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319353.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' ) &	4319353.cif
16085	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319353 via cif-deposit CGI script.	4319353.cif