Crystallography Open Database

Information card for entry 4316762

Preview

Coordinates	4316762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 Fe N18
Calculated formula	C34 H20 Fe N18
Title of publication	Cyanocarbanion-Based Spin-Crossover Materials: Photocrystallographic and Photomagnetic Studies of a New Iron(II) Neutral Chain
Authors of publication	Gaelle Dupouy; Smail Triki; Mathieu Marchivie; Nathalie Cosquer; Carlos J. Gómez-García; Sébastien Pillet; El-Eulmi Bendeif; Claude Lecomte; Saket Asthana; Jean-François Létard
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9358 - 9368
a	11.3439 ± 0.0002 Å
b	12.2258 ± 0.0002 Å
c	11.8418 ± 0.0002 Å
α	90°
β	92.401 ± 0.001°
γ	90°
Cell volume	1640.88 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.364
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179247 (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 4/31/67.	4316762.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316762.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316762.cif
10268	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316762 via cif-deposit CGI script.	4316762.cif