Crystallography Open Database

Information card for entry 4304801

Preview

Coordinates	4304801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H100 Cl2 Ge4 Ni6 S12
Calculated formula	C97 H100 Cl2 Ge4 Ni6 S12
Title of publication	Synthesis of Ge2NiS4 Clusters and the Thermal Transformation to a Ge4Ni6S12 Cluster
Authors of publication	Tsuyoshi Matsumoto; Yosuke Matsui; Mikinao Ito; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1901 - 1903
a	22.913 ± 0.007 Å
b	16.604 ± 0.004 Å
c	27.451 ± 0.011 Å
α	90°
β	101.493 ± 0.01°
γ	90°
Cell volume	10234 ± 6 Å³
Cell temperature	193.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.3044
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
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.	4304801.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304801.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304801.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304801.cif