Information card for entry 4334491

Structure parameters

• Formula: C34 H51 Cl2 N3 O4 P2 Ru
• Calculated formula: C34 H51 Cl2 N3 O4 P2 Ru
• SMILES: C12CC3CC(C1)[NH2][Ru]1([NH2]2)([NH2]3)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.O.O.[Cl-].O.O
• 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: 8.8119 ± 0.0007 Å
• b: 10.6377 ± 0.0009 Å
• c: 20.0033 ± 0.0013 Å
• α: 75.11 ± 0.007°
• β: 88.833 ± 0.006°
• γ: 78.932 ± 0.007°
• Cell volume: 1777.6 ± 0.2 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No