Crystallography Open Database

Information card for entry 7711193

Preview

Coordinates	7711193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Cl2 N4 O Zn
Calculated formula	C18 H14 Cl2 N4 O Zn
SMILES	[Zn]1(Cl)(Cl)[n]2c(c(n(O)c2c2nc3c(cc2)cccc3)C)c2[n]1cccc2
Title of publication	Tuning ESIPT-coupled luminescence by expanding π-conjugation of a proton acceptor moiety in ESIPT-capable zinc(II) complexes with 1-hydroxy-1H-imidazole-based ligands
Authors of publication	Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Vinogradova, Katerina A.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.7585 ± 0.0004 Å
b	8.8124 ± 0.0003 Å
c	14.2538 ± 0.0006 Å
α	73.24 ± 0.001°
β	85.065 ± 0.002°
γ	69.358 ± 0.001°
Cell volume	873.11 ± 0.07 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	0.0379
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
277698 (current)	2022-09-07	cif/ Adding structures of 7711191, 7711192, 7711193, 7711194 via cif-deposit CGI script.	7711193.cif