Crystallography Open Database

Information card for entry 7221766

Preview

Coordinates	7221766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Cd2 N6 O16
Calculated formula	C48 H40 Cd2 N6 O16
Title of publication	Two Luminescent Metal-Organic Frameworks with Multifunctional Properties for Nitroaromatic Compounds Sensing and Photocatalysis
Authors of publication	Wang, Fengqin; Wang, Chengmiao; Yu, Zongchao; He, Qingguo; Li, Xiuyu; Shang, Chonglong; Zhao, Yongnan
Journal of publication	RSC Adv.
Year of publication	2015
a	10.275 ± 0.002 Å
b	16.704 ± 0.003 Å
c	13.021 ± 0.003 Å
α	90°
β	102.8 ± 0.03°
γ	90°
Cell volume	2179.3 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0381
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221766.cif
153335	2015-08-11	cif/ Adding structures of 7221765, 7221766 via cif-deposit CGI script.	7221766.cif