Information card for entry 7010359

Structure parameters

• Formula: C14 H27 B11 Mo O3
• Calculated formula: C14 H27 B11 Mo O3
• SMILES: [Mo]1234(C#[O])(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[BH]1234[BH]567[BH]89%10[BH]%11%126[BH]625[BH]253[BH]3%131[BH]18([BH]89%11[BH]231[BH]%12658)[CH]47%10%13
• Title of publication: Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction
• Authors of publication: Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 277
• a: 9.7577 ± 0.0001 Å
• b: 14.1357 ± 0.0002 Å
• c: 16.231 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2238.77 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No