Crystallography Open Database

Information card for entry 4126852

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Coordinates	4126852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 Cu2 N2 O12
Calculated formula	C18 H32 Cu2 N2 O12
Title of publication	A Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate-Framework.
Authors of publication	Zhang, Bin; Baker, Peter J.; Zhang, Yan; Wang, Dongwei; Wang, Zheming; Su, Shaokui; Zhu, Daoben; Pratt, Francis L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	8.7734 ± 0.0001 Å
b	33.8944 ± 0.0004 Å
c	8.7281 ± 0.0001 Å
α	90°
β	107.797 ± 0.001°
γ	90°
Cell volume	2471.26 ± 0.05 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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