Crystallography Open Database

Information card for entry 7246810

Preview

Coordinates	7246810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 Cd2 N4 O19
Calculated formula	C52 H48 Cd2 N4 O19
Title of publication	The high fluorescence sensitivity property and quenching mechanism of one-dimensional Cd-HCIA-1 sensor for nitrobenzene.
Authors of publication	Song, Xiaoming; Dong, Wenzhuo; Hou, Xiufang; Zhao, Qingxia; Zhang, Zhuangzhuang; Ren, Yixia
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	21
Pages of publication	14907 - 14917
a	10.116 ± 0.003 Å
b	10.401 ± 0.004 Å
c	13.707 ± 0.005 Å
α	92.118 ± 0.005°
β	106.385 ± 0.005°
γ	116.737 ± 0.005°
Cell volume	1212.9 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
284342 (current)	2023-06-05	cif/ Updating files of 7246810 Original log message: Adding full bibliography for 7246810.cif.	7246810.cif
283891	2023-05-19	cif/ Adding structures of 7246810 via cif-deposit CGI script.	7246810.cif