Crystallography Open Database

Information card for entry 7223012

Preview

Coordinates	7223012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 Cd N2 O5
Calculated formula	C21 H13 Cd N2 O5
Title of publication	N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand
Authors of publication	Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	47
Pages of publication	9155
a	9.952 ± 0.0003 Å
b	12.9516 ± 0.0004 Å
c	13.4675 ± 0.0005 Å
α	90°
β	104.847 ± 0.004°
γ	90°
Cell volume	1677.93 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	7223012.cif
173762	2016-01-09	cif/ Updating files of 7223010, 7223011, 7223012, 7223013, 7223014, 7223015, 7223016 Original log message: Adding full bibliography for 7223010--7223016.cif.	7223012.cif
169732	2015-10-24	cif/ Adding structures of 7223010, 7223011, 7223012, 7223013, 7223014, 7223015, 7223016 via cif-deposit CGI script.	7223012.cif