Crystallography Open Database

Information card for entry 7717518

Preview

Coordinates	7717518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Br2 N4 Ni O3 S
Calculated formula	C13 H18 Br2 N4 Ni O3 S
Title of publication	Synthesis, cytotoxicities, structural properties and comparison of dihalogeno-substituted-thiosemicarbazone ligands and mixed-ligand Ni(II) complexes.
Authors of publication	Avcu Altiparmak, Elif; Özen Eroğlu, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal Demirci, Tülay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	4
Pages of publication	1454 - 1467
a	12.69 ± 0.0008 Å
b	10.2688 ± 0.0005 Å
c	15.4499 ± 0.0012 Å
α	90°
β	111.571 ± 0.005°
γ	90°
Cell volume	1872.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0825
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
298288 (current)	2025-03-04	cif/ Updating files of 7717516, 7717517, 7717518 Original log message: Adding full bibliography for 7717516--7717518.cif.	7717518.cif
295987	2024-11-19	cif/ Adding structures of 7717516, 7717517, 7717518 via cif-deposit CGI script.	7717518.cif