Crystallography Open Database

Information card for entry 7205171

7205170 << 7205171 >> 7205172

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Coordinates	7205171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 Cu O7
Calculated formula	C8 H10 Cu O7
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	19.129 ± 0.003 Å
b	19.129 ± 0.003 Å
c	6.764 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2475.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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