Information card for entry 4077628

Structure parameters

• Chemical name: {(C5Me5)Ru}2Co(CO)3(PMe2Ph)B3H4
• Formula: C31 H45 B3 Co O3 P Ru2
• Calculated formula: C31 H45 B3 Co O3 P Ru2
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15%16([H]%17[BH]%18%19%12[Co]1%10%17([BH]3%18[BH]2%11%19)([P](C)(C)c1ccccc1)(C#[O])C8=O)([c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)C9=O)[c]1([c]4([c]5([c]6([c]71C)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: 10.3801 ± 0.0006 Å
• b: 16.7455 ± 0.0014 Å
• c: 19.4553 ± 0.0015 Å
• α: 90°
• β: 95.94 ± 0.006°
• γ: 90°
• Cell volume: 3363.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.1095
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No