Crystallography Open Database

Information card for entry 4307129

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Coordinates	4307129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 Cu N O4
Calculated formula	C10 H7 Cu N O4
Title of publication	Rationally Designed Micropores within a Metal-Organic Framework for Selective Sorption of Gas Molecules
Authors of publication	Banglin Chen; Shengqian Ma; Fatima Zapata; Frank R. Fronczek; Emil B. Lobkovsky; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1233 - 1236
a	13.4864 ± 0.0009 Å
b	11.1 ± 0.0008 Å
c	9.0925 ± 0.0007 Å
α	90°
β	120.335 ± 0.003°
γ	90°
Cell volume	1174.78 ± 0.15 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0423
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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