Crystallography Open Database

Information card for entry 7205175

7205174 << 7205175 >> 7205176

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Coordinates	7205175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 Cu4 N2 O22.5
Calculated formula	C36 H26 Cu4 N2 O22.48
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	17.781 ± 0.004 Å
b	28.331 ± 0.006 Å
c	10.766 ± 0.002 Å
α	90°
β	101.92 ± 0.03°
γ	90°
Cell volume	5306 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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