Crystallography Open Database

Information card for entry 7713048

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Coordinates	7713048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 I2 N5 O Zn
Calculated formula	C19 H15 I2 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	10.0224 ± 0.0011 Å
b	18.493 ± 0.002 Å
c	11.1411 ± 0.0011 Å
α	90°
β	100.797 ± 0.004°
γ	90°
Cell volume	2028.4 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0515
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	7713048.cif