Information card for entry 4312243

Structure parameters

• Formula: C30 H48 F6 N12 O6 Ru2 S2
• Calculated formula: C30 H48 F6 N12 O6 Ru2 S2
• SMILES: [Ru]1234([Ru]([N]5=C6N2CCCN6CCC5)(OS(=O)(=O)C(F)(F)F)(N2C5=[N]1CCCN5CCC2)([N]1=C2N3CCCN2CCC1)N1C2=[N](CCCN42)CCC1)OS(=O)(=O)C(F)(F)F
• Title of publication: Paramagnetism at Ambient Temperature, Diamagnetism at Low Temperature in a Ru26+ Core: Structural Evidence for Zero-Field Splitting
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Joseph H. Reibenspies; Dino Villagrán; Xiaoping Wang; Chad C. Wilkinson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8373 - 8378
• a: 15.4798 ± 0.0012 Å
• b: 15.4824 ± 0.0012 Å
• c: 17.0111 ± 0.0013 Å
• α: 90°
• β: 110.439 ± 0.001°
• γ: 90°
• Cell volume: 3820.3 ± 0.5 ų
• Cell temperature: 50 ± 2 K
• Ambient diffraction temperature: 50 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No