Crystallography Open Database

Information card for entry 7229938

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Coordinates	7229938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Cu6 Mo5 N18 O23
Calculated formula	C12 H20 Cu6 Mo5 N18 O23
Title of publication	Synthesis and properties of a POM-based trinuclear copper(ii) triazole framework
Authors of publication	Xu, Li; Lu, Ying; Huang, Liping; Li, Xiaohui; Wang, Shuang; Zhang, Zhong; Liu, Shuxia
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	4
Pages of publication	2034
a	17.837 ± 0.004 Å
b	17.886 ± 0.005 Å
c	23.754 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7578 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1258
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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