Crystallography Open Database

Information card for entry 7126490

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Coordinates	7126490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H36 Cl6 Cu12 N6 S6
Calculated formula	C6 Cl6 Cu12 N6 S6
Title of publication	A supersalt-type copper(i)-thiolate cluster with applications for mechano/thermochromism and the oxygen evolution reaction.
Authors of publication	Hu, Lanxia; Zheng, Aiping; Kang, Yao; Wen, Tian; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	28
Pages of publication	3967 - 3970
a	12.3881 ± 0.0002 Å
b	12.3881 ± 0.0002 Å
c	12.3881 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1901.14 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2678
Weighted residual factors for all reflections included in the refinement	0.2711
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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