Information card for entry 4064498

Structure parameters

• Formula: C30 H21 Br N4 O6 Ru2
• Calculated formula: C30 H21 Br N4 O6 Ru2
• SMILES: [Ru]123([Ru](Br)(C#[O])([n]4cccc5cc(c6ccccc6)c([n]1c45)N1C=3N(Cc3ccccc3)C=C1)([O]=C(O2)C)C#[O])(C#[O])C#[O]
• 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: 26.344 ± 0.007 Å
• b: 19.94 ± 0.006 Å
• c: 13.903 ± 0.004 Å
• α: 90°
• β: 121.345 ± 0.004°
• γ: 90°
• Cell volume: 6237 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No