Crystallography Open Database

Information card for entry 7060681

Preview

Coordinates	7060681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 Cl2 N2 O2 Ru
Calculated formula	C21 H28 Cl2 N2 O2 Ru
SMILES	[Ru]12345(Cl)(Cl)([n]6cn(c7c6cccc7)CC(OC)OC)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
Title of publication	Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium
Authors of publication	Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	25
Pages of publication	11075 - 11085
a	30.0916 ± 0.0015 Å
b	30.0916 ± 0.0015 Å
c	13.669 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	10719.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
267217 (current)	2021-07-05	cif/ Updating files of 7060679, 7060680, 7060681, 7060682, 7060683 Original log message: Adding full bibliography for 7060679--7060683.cif.	7060681.cif
265209	2021-05-14	cif/ Adding structures of 7060679, 7060680, 7060681, 7060682, 7060683 via cif-deposit CGI script.	7060681.cif