Crystallography Open Database

Information card for entry 7249629

Preview

Coordinates	7249629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H30 Cl10 N6 S2 Zn
Calculated formula	C46 H30 Cl10 N6 S2 Zn
Title of publication	Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates
Authors of publication	Nath, Jitendra; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	1
Pages of publication	46 - 54
a	24.961 ± 0.006 Å
b	17.276 ± 0.004 Å
c	14.02 ± 0.003 Å
α	90°
β	122.367 ± 0.007°
γ	90°
Cell volume	5106 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.221
Weighted residual factors for all reflections included in the refinement	0.2322
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
298176 (current)	2025-03-04	cif/ Updating files of 7249627, 7249628, 7249629, 7249630, 7249631, 7249632, 7249633, 7249634, 7249635 Original log message: Adding full bibliography for 7249627--7249635.cif.	7249629.cif
296051	2024-11-22	cif/ Adding structures of 7249627, 7249628, 7249629, 7249630, 7249631, 7249632, 7249633, 7249634, 7249635 via cif-deposit CGI script.	7249629.cif