Crystallography Open Database

Information card for entry 1570272

Preview

Coordinates	1570272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl3 N8 O4 Ru
Calculated formula	C12 H12 Cl3 N8 O4 Ru
SMILES	c1c[nH]c2c3[n](cc[nH]3)[Ru]3([n]12)(Cl)([n]1cc[nH]c1c1[n]3cc[nH]1)Cl.O.O.O.[Cl-].O
Title of publication	Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole: X-ray Structure and Magnetic Properties.
Authors of publication	Orts-Arroyo, Marta; Monfort, Joel; Moliner, Nicolás; Martínez-Lillo, José
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	20
Pages of publication	7213
a	7.1985 ± 0.0006 Å
b	12.3419 ± 0.0009 Å
c	11.5711 ± 0.0009 Å
α	90°
β	103.281 ± 0.003°
γ	90°
Cell volume	1000.52 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
287455 (current)	2023-11-07	cif/ Adding structures of 1570272 via cif-deposit CGI script.	1570272.cif