Crystallography Open Database

Information card for entry 7205174

7205173 << 7205174 >> 7205175

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Coordinates	7205174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Cu2 N2 O11
Calculated formula	C23 H9 Cu2 N2 O11
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	28.339 ± 0.006 Å
b	25.097 ± 0.005 Å
c	15.483 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11012 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2313
Weighted residual factors for all reflections included in the refinement	0.2626
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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