Crystallography Open Database

Information card for entry 7059247

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Coordinates	7059247.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CuATSM
Formula	C8 H15 Cu N6 S2
Calculated formula	C8 H15 Cu N6 S2
Title of publication	A bis(thiosemicarbazonato)-copper complex, a new catalyst for electro- and photo-reduction of CO2 to methanol
Authors of publication	Jiang, Wen-Xing; Liu, Wei-Xia; Wang, Chun-Li; Zhan, Shu-Zhong; Wu, Song-Ping
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	7
Pages of publication	2721 - 2726
a	12.3838 ± 0.0017 Å
b	13.0495 ± 0.0013 Å
c	8.3122 ± 0.0009 Å
α	90°
β	90.576 ± 0.011°
γ	90°
Cell volume	1343.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0603
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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