Crystallography Open Database

Information card for entry 7001502

Preview

Coordinates	7001502.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Piperazenedithione
Formula	C10 H18 N2 S2
Calculated formula	C10 H18 N2 S2
SMILES	S=C1C(=S)N(CCN1C(C)C)C(C)C
Title of publication	Synthesis, characterization and structure of a low coordinate desoxomolybdenum cluster stabilized by a dithione ligand
Authors of publication	Perera, Eranda; Basu, Partha
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	25
Pages of publication	5023 - 5028
a	18.5301 ± 0.0007 Å
b	7.0919 ± 0.0003 Å
c	9.7843 ± 0.0004 Å
α	90°
β	97.344 ± 0.003°
γ	90°
Cell volume	1275.24 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
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	0.2021
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2133
Weighted residual factors for all reflections included in the refinement	0.3081
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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