Crystallography Open Database

Information card for entry 7205173

7205172 << 7205173 >> 7205174

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Coordinates	7205173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Cu2 N O10
Calculated formula	C21 H10 Cu2 N O10
Title of publication	Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties
Authors of publication	Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	2
Pages of publication	577
a	18.052 ± 0.0004 Å
b	13.836 ± 0.0003 Å
c	19.114 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4774.06 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.2341
Residual factor for significantly intense reflections	0.1322
Weighted residual factors for significantly intense reflections	0.3095
Weighted residual factors for all reflections included in the refinement	0.3843
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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