Crystallography Open Database

Information card for entry 4514049

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Coordinates	4514049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 Cd2 N5 O11
Calculated formula	C37 H32 Cd2 N5 O11
Title of publication	2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2 and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol.
Authors of publication	Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	5
Pages of publication	4701 - 4708
a	16.704 ± 0.005 Å
b	19.21 ± 0.005 Å
c	18.532 ± 0.005 Å
α	90°
β	107.071 ± 0.005°
γ	90°
Cell volume	5685 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192842 (current)	2017-03-03	cif/ Adding structures of 4514049 via cif-deposit CGI script.	4514049.cif