Crystallography Open Database

Information card for entry 4334799

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Coordinates	4334799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cl2 Fe O4 Sn
Calculated formula	C38 H50 Cl2 Fe O4 Sn
SMILES	[Sn]12(Cl)(Cl)(Oc3c(O1)c(ccc3C(C)(C)C)C(C)(C)C)Oc1c(O2)c(ccc1C(C)(C)C)C(C)(C)C.[Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Ferrocene-o-Benzosemiquinonato Tin(IV) Electron-Transfer Complexes
Authors of publication	Ekaterina V. Ilyakina; Andrey I. Poddel'sky; Georgy K. Fukin; Artem S. Bogomyakov; Vladimir K. Cherkasov; Gleb A. Abakumov
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5284 - 5289
a	20.9482 ± 0.0011 Å
b	18.1986 ± 0.0009 Å
c	10.9919 ± 0.0006 Å
α	90°
β	106.125 ± 0.001°
γ	90°
Cell volume	4025.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179450 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/47.	4334799.cif
100672	2014-02-06	cif/ Adding structures of 4334799 via cif-deposit CGI script.	4334799.cif