Crystallography Open Database

Information card for entry 4341792

Preview

Coordinates	4341792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H75 B4 F16 Fe4 N21 O
Calculated formula	C78 H75 B4 F16 Fe4 N21 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	36.482 ± 0.003 Å
b	27.585 ± 0.002 Å
c	25.201 ± 0.003 Å
α	90°
β	133.061 ± 0.001°
γ	90°
Cell volume	18530 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1005
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2277
Weighted residual factors for all reflections included in the refinement	0.2493
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179520 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/17.	4341792.cif
128219	2014-12-06	cif/ Adding structures of 4341792 via cif-deposit CGI script.	4341792.cif