Information card for entry 4077629

Structure parameters

• Chemical name: {Cp*Ru(CO)}{Cp*Ru}{Co(CO)2(mu-CO)(NC4H4C)(BH)2
• Formula: C29 H36 B2 Co N O4 Ru2
• Calculated formula: C29 H36 B2 Co N O4 Ru2
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15([Co]1([BH]%10[n]1c7cccc1)([BH]2%11)(C#[O])(C#[O])C8=O)([c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)C9=O)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Reaction of Phosphines and Pyridine with a Heterometal Metallaborane. Ligand Substitution on Boron vs Metal Sites, Borane Displacement, and Orthometalation of a Boron-Coordinated Pyridine
• Authors of publication: Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5266
• a: 17.0349 ± 0.0015 Å
• b: 15.777 ± 0.0013 Å
• c: 22.1476 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5952.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No