Crystallography Open Database

Information card for entry 4341793

Preview

Coordinates	4341793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77.5 H73.5 B4 F16 Fe4 N20.75 O
Calculated formula	C77.5 H74.25 B4 F16 Fe4 N20.75 O
Title of publication	Spin Crossover in Tetranuclear Fe(II) Complexes, {[(tpma)Fe(μ-CN)]4}X4 (X = ClO4(-), BF4(-)).
Authors of publication	Hietsoi, Oleksandr; Dunk, Paul W.; Stout, Heather D.; Arroyave, Alejandra; Kovnir, Kirill; Irons, Raechel E.; Kassenova, Nazira; Erkasov, Rakhmetulla; Achim, Catalina; Shatruk, Michael
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141202143346008
a	36.995 ± 0.005 Å
b	27.796 ± 0.004 Å
c	25.479 ± 0.006 Å
α	90°
β	133.253 ± 0.001°
γ	90°
Cell volume	19083 ± 6 Å³
Cell temperature	209 ± 2 K
Ambient diffraction temperature	209 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2795
Weighted residual factors for all reflections included in the refinement	0.3112
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341793.cif
128220	2014-12-06	cif/ Adding structures of 4341793 via cif-deposit CGI script.	4341793.cif