Crystallography Open Database

Information card for entry 7710404

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Coordinates	7710404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 I2 N4 O Zn
Calculated formula	C14 H12 I2 N4 O Zn
Title of publication	N-Hydroxy – N-oxide photoinduced tautomerization and excitation wavelength dependent luminescence of ESIPT-capable zinc(II) complexes with a rationally designed 1-hydroxy-2,4-di(pyridin-2-yl)-1H-imidazole ESIPT-ligand
Authors of publication	Shekhovtsov, Nikita; Vinogradova, Katerina A.; Vorob'eva, Sofia; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Nikolaenkova, Elena B.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.0424 ± 0.0009 Å
b	8.1386 ± 0.0006 Å
c	17.4214 ± 0.0015 Å
α	90°
β	91.506 ± 0.002°
γ	90°
Cell volume	1706.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0541
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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
275731 (current)	2022-06-02	cif/ Adding structures of 7710403, 7710404, 7710405 via cif-deposit CGI script.	7710404.cif