Crystallography Open Database

Information card for entry 7105872

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Coordinates	7105872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Cd2 N8 O6
Calculated formula	C4 Cd2 N8 O6
Title of publication	A three-dimensional microporous metal-organic framework with large hydrogen sorption hysteresis
Authors of publication	Di-Chang Zhong; Wei-Xiong Zhang; Feng-Lei Cao; Long Jiang; Tong-Bu Lu
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	1204
a	11.747 ± 0.0014 Å
b	9.1555 ± 0.0011 Å
c	11.5381 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1240.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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