Information card for entry 4334493

Structure parameters

• Formula: C39 H51 Cl2 N3 O3 P2 Ru
• Calculated formula: C39 H51 Cl2 N3 O3 P2 Ru
• SMILES: C12CC3CC(C1)[NH2][Ru]1([NH2]2)([NH2]3)([P](c2c(cccc2)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.CO.[Cl-].CO.CO
• 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: 18.3263 ± 0.0007 Å
• b: 8.5294 ± 0.0002 Å
• c: 26.4162 ± 0.0013 Å
• α: 90°
• β: 109.141 ± 0.005°
• γ: 90°
• Cell volume: 3900.9 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No