Information card for entry 7000830

Structure parameters

• Common name: (AlH2(DmpN3Mes)(THF))
• Formula: C37 H46 Al N3 O
• Calculated formula: C37 H46 Al N3 O
• SMILES: [AlH2]1([O]2CCCC2)[N](=NN1c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Bulky triazenide complexes of alumino- and gallohydrides
• Authors of publication: Alexander, Sean G.; Cole, Marcus L.; Forsyth, Craig M.; Furfari, Samantha K.; Konstas, Kristina
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2326 - 2336
• a: 12.1434 ± 0.0005 Å
• b: 22.3094 ± 0.001 Å
• c: 12.2121 ± 0.0006 Å
• α: 90°
• β: 94.86 ± 0.002°
• γ: 90°
• Cell volume: 3296.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No