Crystallography Open Database

Information card for entry 4101740

Preview

Coordinates	4101740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C143 H195 B4 Cl4 Co4 Fe4 N81 O37
Calculated formula	C143 H186.1 B4 Cl4 Co4 Fe4 N81 O37
Title of publication	Magnetic and optical bistability driven by thermally and photoinduced intramolecular electron transfer in a molecular cobalt-iron prussian blue analogue.
Authors of publication	Li, Dongfeng; Clérac, Rodolphe; Roubeau, Olivier; Harté, Etienne; Mathonière, Corine; Bris, Rémy Le; Holmes, Stephen M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Journal issue	1
Pages of publication	252 - 258
a	25.0653 ± 0.0003 Å
b	23.4624 ± 0.0003 Å
c	34.8074 ± 0.0006 Å
α	90°
β	102.365 ± 0.0006°
γ	90°
Cell volume	19995.1 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1762
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2346
Weighted residual factors for all reflections included in the refinement	0.2773
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178763 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17.	4101740.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101740.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101740.cif
22672	2011-07-07	../uploads/cif-deposit/cod/cif Adding structures of 4101740 via cif-deposit CGI script.	4101740.cif