Crystallography Open Database

Information card for entry 1563874

Preview

Coordinates	1563874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Cl2 N6 O2 Ru
Calculated formula	C22 H36 Cl2 N6 O2 Ru
SMILES	[Ru]12345([n]6ccn(c6)C)([n]6ccn(C)c6)([n]6ccn(c6)C)[cH]6[c]4([cH]3[cH]1[c]2([cH]56)C)C(C)C.[Cl-].[Cl-].O.O
Title of publication	Further insights into ruthenium(II) piano-stool complexes with N-alkyl imidazoles
Authors of publication	Djukić, Maja; Jeremić, Marija S.; Jelić, Ratomir; Klisurić, Olivera; Kojić, Vesna; Jakimov, Dimitar; Djurdjević, Predrag; Matović, Zoran D.
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	359 - 370
a	8.61484 ± 0.00015 Å
b	17.3362 ± 0.0003 Å
c	18.2674 ± 0.0003 Å
α	90°
β	98.3299 ± 0.0015°
γ	90°
Cell volume	2699.43 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0364
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
266894 (current)	2021-07-02	cif/ Adding structures of 1563874, 1563875 via cif-deposit CGI script.	1563874.cif