Information card for entry 4075747

Structure parameters

• Formula: C31 H38 N2 O Ru2
• Calculated formula: C31 H38 N2 O 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%11C=6)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)(C#[O])[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: 28.9627 ± 0.0019 Å
• b: 11.3765 ± 0.0009 Å
• c: 18.6104 ± 0.0009 Å
• α: 90°
• β: 114.542 ± 0.002°
• γ: 90°
• Cell volume: 5578 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No