Crystallography Open Database

Information card for entry 4304799

Preview

Coordinates	4304799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H74 Ge2 Ni P2 S4
Calculated formula	C74 H74 Ge2 Ni P2 S4
SMILES	[Ge]12(S[Ge](S1)(S[Ni]1(S2)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
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	30.814 ± 0.003 Å
b	21.9372 ± 0.0016 Å
c	30.454 ± 0.003 Å
α	90°
β	127.594 ± 0.0018°
γ	90°
Cell volume	16311 ± 3 Å³
Cell temperature	243.1 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 significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.2642
Goodness-of-fit parameter for all reflections included in the refinement	1.367
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.	4304799.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304799.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304799.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304799.cif