Crystallography Open Database

Information card for entry 7040511

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Coordinates	7040511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H9 Cu2 O12
Calculated formula	C23 H13 Cu2 O12
Title of publication	Four new 3D metal-organic frameworks constructed by the asymmetrical pentacarboxylate: gas sorption behaviour and magnetic properties.
Authors of publication	Yan, Yang-Tian; Zhang, Wen-Yan; Wu, Yun-Long; Li, Jiang; Xi, Zheng-Ping; Wang, Yao-Yu; Hou, Lei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	39
Pages of publication	15473 - 15480
a	18.5085 ± 0.0006 Å
b	18.5085 ± 0.0006 Å
c	22.9306 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6802.8 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0901
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.2346
Weighted residual factors for all reflections included in the refinement	0.2723
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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