Crystallography Open Database

Information card for entry 4347167

Preview

Coordinates	4347167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H61 Cl N6 S4 Ta4
Calculated formula	C41 H61 Cl N6 S4 Ta4
Title of publication	Systematic Approach for the Construction of Niobium and Tantalum Sulfide Clusters.
Authors of publication	Gómez, Manuel; Hernández-Prieto, Cristina; Martín, Avelino; Mena, Miguel; Santamaría, Cristina
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	8
Pages of publication	3815 - 3821
a	15.6643 ± 0.0016 Å
b	17.6372 ± 0.0007 Å
c	23.3003 ± 0.0017 Å
α	90°
β	102.638 ± 0.006°
γ	90°
Cell volume	6281.3 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
232195 (current)	2019-11-23	cif/ Adding structures of 4347159, 4347160, 4347161, 4347162, 4347163, 4347164, 4347165, 4347166, 4347167 via cif-deposit CGI script.	4347167.cif