Information card for entry 4075749

Structure parameters

• Formula: C35 H47 N3 Ru2
• Calculated formula: C35 H47 N3 Ru2
• SMILES: [Ru]12345(Nc6c(N1)c[c]17[Ru]89%10%11%12%13%14%15([cH]1[cH]8[cH]9[cH]%10[c]7%11c6)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)(C#[N]C(C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Dinuclear Ruthenium(II) κ2-Diamido/η6-Naphthalene Complexes Featuring a Coordinatively Unsaturated yet Highly π-Basic (η5-C5Me5)Ru Diamide Fragment
• Authors of publication: Takemoto, Shin; Oshio, Shinya; Shiromoto, Takayuki; Matsuzaka, Hiroyuki
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 801
• a: 12.555 ± 0.002 Å
• b: 16.084 ± 0.004 Å
• c: 16.663 ± 0.002 Å
• α: 90°
• β: 97.554 ± 0.007°
• γ: 90°
• Cell volume: 3335.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1978
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No