Crystallography Open Database

Information card for entry 1565543

Preview

Coordinates	1565543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cl2 N3 O3 Ru S3
Calculated formula	C17 H21 Cl2 N3 O3 Ru S3
SMILES	[Ru]1([S](=O)(C)C)(Cl)([S](=O)(C)C)(Cl)[O]=C(N=C2Sc3c(N2)cccc3)c2[n]1cccc2
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	12.0368 ± 0.0003 Å
b	11.7297 ± 0.0003 Å
c	15.8171 ± 0.0004 Å
α	90°
β	91.623 ± 0.002°
γ	90°
Cell volume	2232.29 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0428
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0728
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.	1565543.cif