Crystallography Open Database

Information card for entry 4334798

Preview

Coordinates	4334798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Br3 Fe O3 Sn
Calculated formula	C28 H38 Br3 Fe O3 Sn
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	13.2228 ± 0.0011 Å
b	11.401 ± 0.001 Å
c	20.7224 ± 0.0018 Å
α	90°
β	108.041 ± 0.001°
γ	90°
Cell volume	2970.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
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.	4334798.cif
100671	2014-02-06	cif/ Adding structures of 4334798 via cif-deposit CGI script.	4334798.cif