Crystallography Open Database

Information card for entry 7245871

Preview

Coordinates	7245871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 N3 O7
Calculated formula	C9 H11 N3 O7
Title of publication	Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions
Authors of publication	Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	2
Pages of publication	245 - 266
a	13.132 ± 0.0004 Å
b	6.6872 ± 0.0002 Å
c	13.2034 ± 0.0004 Å
α	90°
β	101.394 ± 0.003°
γ	90°
Cell volume	1136.62 ± 0.06 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
281441 (current)	2023-03-04	cif/ Updating files of 7245871 Original log message: Adding full bibliography for 7245871.cif.	7245871.cif
279444	2022-11-22	cif/ Adding structures of 7245871 via cif-deposit CGI script.	7245871.cif