Crystallography Open Database

Information card for entry 7705528

Preview

Coordinates	7705528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl2 Cu F N3 O S
Calculated formula	C16 H12 Cl2 Cu F N3 O S
Title of publication	Three types of copper derivatives formed by CuCl<sub>2</sub>·2H<sub>2</sub>O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.
Authors of publication	Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	41
Pages of publication	14528 - 14535
a	7.287 ± 0.002 Å
b	22.731 ± 0.007 Å
c	11.092 ± 0.003 Å
α	90°
β	108.638 ± 0.006°
γ	90°
Cell volume	1740.9 ± 0.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
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	0.0834
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.0291
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
258783 (current)	2020-11-06	cif/ Updating files of 7705524, 7705525, 7705526, 7705527, 7705528 Original log message: Adding full bibliography for 7705524--7705528.cif.	7705528.cif
256755	2020-09-25	cif/ Adding structures of 7705524, 7705525, 7705526, 7705527, 7705528 via cif-deposit CGI script.	7705528.cif