Information card for entry 4075751

Structure parameters

• Formula: C35 H47 N3 Ru2
• Calculated formula: C35 H47 N3 Ru2
• SMILES: [Ru]12345(Nc6c(N1)[cH]1[c]78[Ru]9%10%11%12%131([cH]6[c]89cccc7)[c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)(C#[N]C(C)(C)C)[c]1([c]5([c]4([c]3([c]21C)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: 20.7065 ± 0.0009 Å
• b: 14.4762 ± 0.0008 Å
• c: 22.2356 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6665.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1209
• 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