Crystallography Open Database

Information card for entry 1545269

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Coordinates	1545269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H5 Cu2 N9
Calculated formula	C12 H5 Cu2 N9
Title of publication	Facile synthesis of an ultra-stable metal-organic framework with excellent acid and base resistance
Authors of publication	Zhao, Nian; Li, Ping; Mu, Xin; Liu, Chuanfang; Sun, Fuxing; Zhu, Guangshan
Journal of publication	Faraday Discuss.
Year of publication	2017
a	9.281 ± 0.017 Å
b	9.281 ± 0.017 Å
c	22.07 ± 0.05 Å
α	90°
β	90°
γ	90°
Cell volume	1901 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1753
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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