Crystallography Open Database

Information card for entry 1564048

Preview

Coordinates	1564048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Cl4 N4 Ru2
Calculated formula	C34 H50 Cl4 N4 Ru2
SMILES	[c]12([c]3([c]4([c]5([c]6([c]1(C)[Ru]23456([n]1c(c(c2c(C)[n]([nH]c2C)[Ru]23456([c]7([c]2([c]3([c]4([c]5([c]67C)C)C)C)C)C)(Cl)Cl)c(C)[nH]1)C)(Cl)Cl)C)C)C)C)C
Title of publication	Binuclear 3,3′,5,5′-tetramethyl-1H,H-4,4′-bipyrazole Ruthenium(II) complexes: Synthesis, characterization and biological studies
Authors of publication	Pettinari, Claudio; Pettinari, Riccardo; Xhaferai, Nertil; Giambastiani, Giuliano; Rossin, Andrea; Bonfili, Laura; Maria Eleuteri, Anna; Cuccioloni, Massimiliano
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	513
Pages of publication	119902
a	16.868 ± 0.014 Å
b	8.211 ± 0.007 Å
c	26.122 ± 0.002 Å
α	90°
β	103.88 ± 0.009°
γ	90°
Cell volume	3512 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267383 (current)	2021-07-08	cif/ Adding structures of 1564048 via cif-deposit CGI script.	1564048.cif