Information card for entry 4064497

Structure parameters

• Formula: C36 H36 Br2 N8 O4 Ru2
• Calculated formula: C36 H36 Br2 N8 O4 Ru2
• SMILES: C(#[O])[Ru]1(C#[O])(Br)([n]2c3nc(C)cc(C)c3ccc2N2C=CN(C=12)C(C)C)[Ru]1(C#[O])(C#[O])([n]2c3nc(C)cc(C)c3ccc2N2C=CN(C=12)C(C)C)Br
• Title of publication: Site-Directed Anchoring of an N-Heterocyclic Carbene on a Dimetal Platform: Evaluation of a Pair of Diruthenium(I) Catalysts for Carbene-Transfer Reactions from Ethyl Diazoacetate
• Authors of publication: Saha, Biswajit; Ghatak, Tapas; Sinha, Arup; Rahaman, S. M. Wahidur; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2051
• a: 13.619 ± 0.003 Å
• b: 10.35 ± 0.003 Å
• c: 13.132 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No