Crystallography Open Database

Information card for entry 7713052

Preview

Coordinates	7713052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.75 H16.5 Cl3.5 N5 O Zn
Calculated formula	C19.75 H16.4529 Cl3.5 N5 O Zn
Title of publication	Luminescence of ESIPT-capable zinc(II) complexes with a 1-hydroxy-1H-imidazole-based ligand: exploring the impact of substitution in the proton-donating moiety
Authors of publication	Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Vorob'eva, Sofia; Plyusnin, Victor F.; Vinogradova, Katerina A.; Sukhikh, Taisiya; Tikhonov, Alexsei Ya.; Bushuev, Mark B.
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.6299 ± 0.0002 Å
b	13.3659 ± 0.0003 Å
c	17.2735 ± 0.0004 Å
α	106.512 ± 0.001°
β	100.97 ± 0.001°
γ	107.458 ± 0.001°
Cell volume	2140.29 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283811 (current)	2023-05-17	cif/ Adding structures of 7713048, 7713049, 7713050, 7713051, 7713052 via cif-deposit CGI script.	7713052.cif