Information card for entry 4078396

Structure parameters

• Chemical name: (Me5Cp)Co(B3H7)Fe(CO)3
• Formula: C13 H22 B3 Co Fe O3
• Calculated formula: C13 H22 B3 Co Fe O3
• SMILES: [Co]1234567([Fe]89%10(C#[O])(C#[O])(C#[O])[BH]%115([BH]56([BH]78([H]5)[H]%10)[H]%11)[H]9)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• 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: 29.204 ± 0.003 Å
• b: 8.5268 ± 0.0006 Å
• c: 15.905 ± 0.003 Å
• α: 90°
• β: 120.803 ± 0.013°
• γ: 90°
• Cell volume: 3401.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0625
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No