Crystallography Open Database

Information card for entry 7062528

Preview

Coordinates	7062528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 N6 O2
Calculated formula	C14 H20 N6 O2
Title of publication	An oxalamide-bridged imidazole based ‘turn off’ fluorescent receptor for copper(ii) and iron(iii) ions
Authors of publication	Murugaperumal, Parvathavarthini; Rajendran, Praveena; Nallathambi, Sengottuvelan; Ayyanar, Siva; Perdih, Franc; Balasubramaniem, Ashokkumar; Alagarsamy, Arun
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	28
Pages of publication	13342 - 13352
a	8.0049 ± 0.0007 Å
b	10.5291 ± 0.0008 Å
c	9.2006 ± 0.0008 Å
α	90°
β	106.405 ± 0.01°
γ	90°
Cell volume	743.9 ± 0.11 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
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	0.0553
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
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
285478 (current)	2023-08-05	cif/ Updating files of 7062528 Original log message: Adding full bibliography for 7062528.cif.	7062528.cif
284647	2023-06-29	cif/ Adding structures of 7062528 via cif-deposit CGI script.	7062528.cif