Crystallography Open Database

Information card for entry 1570273

Preview

Coordinates	1570273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl3 N8 O2 Ru
Calculated formula	C12 H12 Cl3 N8 O2 Ru
SMILES	[Ru]12(Cl)(Cl)([n]3cc[nH]c3c3[n]1cc[nH]3)[n]1cc[nH]c1c1[n]2cc[nH]1.O.O.[Cl-]
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	13.4566 ± 0.0006 Å
b	11.3171 ± 0.0004 Å
c	13.7498 ± 0.0006 Å
α	90°
β	115.555 ± 0.001°
γ	90°
Cell volume	1889.1 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
299663 (current)	2025-05-14	cif/1: Fixing some Z values and formulae	1570273.cif
287457	2023-11-07	cif/ Adding structures of 1570273 via cif-deposit CGI script.	1570273.cif