Information card for entry 2207232

Structure parameters

• Chemical name: Bis(μ~3~-4-bromophenylimido)tris(tricarbonylruthenium)(2 Ru—Ru)
• Formula: C21 H8 Br2 N2 O9 Ru3
• Calculated formula: C21 H8 Br2 N2 O9 Ru3
• SMILES: [Ru]23([Ru]45([Ru]([N]24c1ccc(Br)cc1)([N]35c1ccc(Br)cc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Bis(μ~3~-4-bromophenylimido)tris(tricarbonylruthenium)(2 <i>Ru{—</i>Ru})
• Authors of publication: Anthony C. Willis; Waleed K. Mahdi; Mark G. Humphrey
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2335 - m2337
• a: 13.0136 ± 0.0002 Å
• b: 14.6979 ± 0.0002 Å
• c: 15.8864 ± 0.0002 Å
• α: 100.982 ± 0.0009°
• β: 112.315 ± 0.0008°
• γ: 98.9674 ± 0.0008°
• Cell volume: 2671.05 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes