Crystallography Open Database

Information card for entry 1565541

Preview

Coordinates	1565541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl2 N5 O2 Ru S
Calculated formula	C18 H15 Cl2 N5 O2 Ru S
SMILES	[Ru]1(Cl)(Cl)([O]=C(N=C2Sc3c(N2)cccc3)c2[n]1cccc2)([N]#CC)C#[O].C(#N)C
Title of publication	Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis
Authors of publication	Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	502
Pages of publication	119285
a	8.1187 ± 0.0006 Å
b	11.9641 ± 0.0007 Å
c	12.2397 ± 0.0008 Å
α	74.092 ± 0.003°
β	86.817 ± 0.004°
γ	70.785 ± 0.003°
Cell volume	1078.86 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1225
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
271125 (current)	2021-12-06	cif/ Adding structures of 1565540, 1565541, 1565542, 1565543, 1565544, 1565545, 1565546 via cif-deposit CGI script.	1565541.cif