Crystallography Open Database

Information card for entry 4512864

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Coordinates	4512864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Cd N8 O4
Calculated formula	C18 H10 Cd N8 O4
Title of publication	Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks
Authors of publication	He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	4
Pages of publication	2033
a	19.281 ± 0.0003 Å
b	19.281 ± 0.0003 Å
c	25.7179 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	8279.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.231
Weighted residual factors for all reflections included in the refinement	0.245
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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