Information card for entry 4311858

Structure parameters

• Common name: [Ru(1,10-phenantroline)(acetonitrile)(1,4,7-trithiacyclononane)](PF6)2
• Formula: C80 H92 Cl8 N12 O32 Ru4 S12
• Calculated formula: C80 H92 Cl8 N12 O32 Ru4 S12
• Title of publication: Synthesis, Structure, and Substitution Mechanism of New Ru(II) Complexes Containing 1,4,7-Trithiacyclononane and 1,10-Phenanthroline Ligands
• Authors of publication: Xavier Sala; Isabel Romero; Montserrat Rodríguez; Antoni Llobet; Gabriel González; Manuel Martínez; Jordi Benet-Buchholz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5403 - 5409
• a: 14.3977 ± 0.001 Å
• b: 33.495 ± 0.003 Å
• c: 21.2512 ± 0.0016 Å
• α: 90°
• β: 95.88 ± 0.003°
• γ: 90°
• Cell volume: 10194.5 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.1405
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No