Information card for entry 4078397

Structure parameters

• Chemical name: (Me5Cp)Co(CO)(B3H7)
• Formula: C11 H22 B3 Co O
• Calculated formula: C11 H22 B3 Co O
• SMILES: [Co]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)(C#[O])[BH2]1[H][BH]512[H][BH2]26
• Title of publication: Reactions of the Cobaltaborane 2,4-{(η5-C5Me5)Co}2B3H7with Metal Fragments. Synthesis and Characterization ofnido-1-{(η5-C5Me5)Co}-2-{(CO)3Fe}B3H7andarachno-(η5-C5Me5)(CO)CoB3H7
• Authors of publication: Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 1998
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1558
• a: 7.0216 ± 0.0011 Å
• b: 27.298 ± 0.002 Å
• c: 8.0282 ± 0.0012 Å
• α: 90°
• β: 111.739 ± 0.006°
• γ: 90°
• Cell volume: 1429.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1505
• Weighted residual factors for significantly intense reflections: 0.1168
• Goodness-of-fit parameter for all reflections: 1.157
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No