Crystallography Open Database

Information card for entry 7702327

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Coordinates	7702327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 Cu N2 S
Calculated formula	C6 H5 Cu N2 S
Title of publication	Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]
Authors of publication	Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	18
Pages of publication	3071
a	17.435 ± 0.009 Å
b	3.855 ± 0.002 Å
c	11.159 ± 0.006 Å
α	90°
β	107.55 ± 0.02°
γ	90°
Cell volume	715.1 ± 0.7 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for all reflections	0.1123
Weighted residual factors for significantly intense reflections	0.104
Goodness-of-fit parameter for all reflections	1.046
Goodness-of-fit parameter for significantly intense reflections	1.072
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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