Crystallography Open Database

Information card for entry 7717516

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Coordinates	7717516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Cl2 N3 O S
Calculated formula	C9 H9 Cl2 N3 O S
Title of publication	Synthesis, Cytotoxicities, Structural Properties and Comparison of Dihalogenosubstituted-thiosemicarbazone ligands and Mixed-Ligand Ni(II) Complexes
Authors of publication	AVCU ALTIPARMAK, Elif; ÖZEN EROĞLU, Güneş; Özdemir, Namık; Erdem Kuruca, Serap; Bal-Demirci, Tulay
Journal of publication	Dalton Transactions
Year of publication	2024
a	6.2672 ± 0.0005 Å
b	7.9274 ± 0.0006 Å
c	12.4219 ± 0.0009 Å
α	82.624 ± 0.006°
β	78.692 ± 0.006°
γ	76.836 ± 0.006°
Cell volume	587 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0599
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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