Crystallography Open Database

Information card for entry 7063876

Preview

Coordinates	7063876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Cl2 N10 O12 Zn
Calculated formula	C33 H34 Cl2 N10 O12 Zn
Title of publication	Quinoline-based bio-compatible fluorophore employing a dual sensor for Mg(ii) and Zn(ii): insights from single crystal structures and spectroscopic, DFT and cell imaging studies
Authors of publication	Das, Bhriguram; Giri, Pravat K.; Barman, Milan K.; Upadhyaya, Priyanka; Pakrashy, Sourav; Dolai, Malay
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	31
Pages of publication	13666 - 13677
a	12.171 ± 0.0017 Å
b	17.084 ± 0.002 Å
c	19.615 ± 0.003 Å
α	90°
β	97.351 ± 0.004°
γ	90°
Cell volume	4045 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0976
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.2207
Weighted residual factors for all reflections included in the refinement	0.2315
Goodness-of-fit parameter for all reflections included in the refinement	1.587
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
301624 (current)	2025-08-06	cif/ Updating files of 7063876, 7063877 Original log message: Adding full bibliography for 7063876--7063877.cif.	7063876.cif
300318	2025-07-04	cif/ Adding structures of 7063876, 7063877 via cif-deposit CGI script.	7063876.cif