Crystallography Open Database

Information card for entry 4341950

4341949 << 4341950 >> 4341951

Preview

Coordinates	4341950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs8 Fe4 S10
Calculated formula	Cs8 Fe4 S10
SMILES	[S-][Fe]12([S-])S[Fe]342(S1)S[Fe]124(S[Fe]2([S-])([S-])S1)S3.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+]
Title of publication	Cs8[Fe4S10] and Cs7[Fe4S8], Two New Sulfido Ferrates with Different Tetrameric anions.
Authors of publication	Schwarz, Michael; Röhr, Caroline
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	3
Pages of publication	1038 - 1048
a	7.6783 ± 0.001 Å
b	8.8557 ± 0.0012 Å
c	10.6768 ± 0.0015 Å
α	79.013 ± 0.006°
β	85.151 ± 0.006°
γ	80.185 ± 0.006°
Cell volume	701.23 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179522 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19.	4341950.cif
130530	2015-02-04	cif/ Updating files of 4341949, 4341950 Original log message: Adding full bibliography for 4341949--4341950.cif.	4341950.cif
128904	2014-12-21	cif/ Adding structures of 4341950 via cif-deposit CGI script.	4341950.cif