Crystallography Open Database

Information card for entry 1514654

Preview

Coordinates	1514654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H92 Co2 Fe2 N26 O5
Calculated formula	C107 H72 Co2 Fe2 N26 O5
Title of publication	Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state
Authors of publication	Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	6
Pages of publication	2463
a	13.6545 ± 0.0015 Å
b	14.348 ± 0.0017 Å
c	25.328 ± 0.003 Å
α	90°
β	102.313 ± 0.005°
γ	90°
Cell volume	4848 ± 1 Å³
Cell temperature	370 ± 2 K
Ambient diffraction temperature	370 ± 2 K
Number of distinct elements	6
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	0.0658
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514654.cif
110212	2014-04-18	cif/ Adding structures of 1514650, 1514651, 1514652, 1514653, 1514654 via cif-deposit CGI script.	1514654.cif