Crystallography Open Database

Information card for entry 4304799

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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

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