Information card for entry 7112391

Structure parameters

• Formula: C38 H47 Al F2 Mo N2 O4
• Calculated formula: C38 H47 Al F2 Mo N2 O4
• SMILES: [Mo]12([AlH](=C3N(c4c(cccc4C(C)C)C(C)C)CCCN3c3c(C(C)C)cccc3C(C)C)([H]1)[H]2)(C#[O])(C#[O])(C#[O])C#[O].Fc1ccccc1F
• Title of publication: Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.
• Authors of publication: Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 49
• Pages of publication: 5547 - 5549
• a: 15.6606 ± 0.0001 Å
• b: 10.5232 ± 0.0001 Å
• c: 23.2731 ± 0.0002 Å
• α: 90°
• β: 98.8379 ± 0.0004°
• γ: 90°
• Cell volume: 3789.86 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No