Information card for entry 4077630

Structure parameters

• Chemical name: {Cp*Ru}2{Co(CO)3(mu-CO)(BNC5H5)}(BH)2
• Formula: C29 H37 B3 Co N O4 Ru2
• Calculated formula: C29 H37 B3 Co N O4 Ru2
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14%15([Co]%161([BH]1%10[BH]29[B]3%161[n]1ccccc1)(C#[O])(C#[O])C%15=O)([c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)C8=O)[c]1([c]4([c]5([c]7([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: 8.788 ± 0.0014 Å
• b: 9.276 ± 0.002 Å
• c: 20.171 ± 0.003 Å
• α: 97.418 ± 0.019°
• β: 97.89 ± 0.02°
• γ: 111.35 ± 0.015°
• Cell volume: 1488.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No