Crystallography Open Database

Information card for entry 4347159

Preview

Coordinates	4347159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cl3 N3 Ta
Calculated formula	C25 H27 Cl3 N3 Ta
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	8.6049 ± 0.0005 Å
b	16.4121 ± 0.001 Å
c	18.7144 ± 0.0014 Å
α	90°
β	93.721 ± 0.006°
γ	90°
Cell volume	2637.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.082
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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.	4347159.cif