Information card for entry 4334485

Structure parameters

• Formula: C18 H29 F12 N5 O P2 Ru S
• Calculated formula: C18 H29 F12 N5 O P2 Ru S
• SMILES: C12CC3CC(C1)[NH2][Ru]1([NH2]2)([NH2]3)([n]2ccccc2c2cccc[n]12)[S](C)(C)=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)
• Authors of publication: Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4517 - 4527
• a: 17.934 ± 0.003 Å
• b: 10.6572 ± 0.0016 Å
• c: 13.783 ± 0.002 Å
• α: 90°
• β: 90.055 ± 0.004°
• γ: 90°
• Cell volume: 2634.3 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No