Crystallography Open Database

Information card for entry 4305890

Preview

Coordinates	4305890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.5 H32 K10 Mn4 O15.5 Se11.5 Sn4 Te5.5
Calculated formula	C0.5 K10.01 Mn4 O15.5 Se11.6 Sn4 Te5.4
Title of publication	One-Size Adjustable-Gap Cluster Anions: Systematic Approach to Multinary, Water-Soluble Chalcogenidometalate Compounds
Authors of publication	Felicitas Lips; Stefanie Dehnen
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5561 - 5563
a	15.7392 ± 0.0006 Å
b	15.7392 ± 0.0006 Å
c	26.105 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6466.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
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.	4305890.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305890.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305890.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305890.cif