Crystallography Open Database

Information card for entry 4113785

Preview

Coordinates	4113785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.5 H34 K10 Mn4 O16.5 Se17 Sn4
Calculated formula	C0.5 K10 Mn4 O16.5 Se17 Sn4
Title of publication	Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)
Authors of publication	Stefanie Dehnen; Michael K. Brandmayer
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	6618 - 6619
a	15.515 ± 0.002 Å
b	15.515 ± 0.002 Å
c	25.44 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6123.8 ± 1.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
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.	4113785.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113785.cif
67057	2012-09-18	cif/ Adding structures of 4113785 via cif-deposit CGI script.	4113785.cif