Information card for entry 7010356

Structure parameters

• Formula: C9 H17 B11 Mo O3
• Calculated formula: C9 H17 B11 Mo O3
• SMILES: [Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([BH]1%15%12[BH]%129%11[BH]958[BH]536[BH]2%141[BH]%15%1295)[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: 10.1425 ± 0.0019 Å
• b: 10.4875 ± 0.0013 Å
• c: 16.515 ± 0.002 Å
• α: 90°
• β: 93.76°
• γ: 90°
• Cell volume: 1752.9 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No