Crystallography Open Database

Information card for entry 4307372

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Structure parameters

Formula	C22 H28 N2 O4 S8
Calculated formula	C22 H28 N2 O4 S8
SMILES	C(#N)CCSC1=C(SCCC#N)SC(=C2SC3=C(S2)SCCOCCOCCOCCOCCS3)S1
Title of publication	Syntheses, Structures, and Electrochemical Properties of Platinum(II) Complexes Containing Di-tert-butylbipyridine and Crown Ether Annelated Dithiolate Ligands
Authors of publication	Yong Ji; Rui Zhang; Yu-Jia Li; Yi-Zhi Li; Jing-Lin Zuo; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	866 - 873
a	9.6569 ± 0.0019 Å
b	10.571 ± 0.002 Å
c	16.174 ± 0.003 Å
α	95.221 ± 0.004°
β	97.852 ± 0.004°
γ	116.704 ± 0.004°
Cell volume	1439.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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