Information card for entry 7000827

Structure parameters

• Common name: DmpN3(H)Mes
• Formula: C33 H37 N3
• Calculated formula: C33 H37 N3
• SMILES: N(=NNc1c(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: 11.5637 ± 0.0003 Å
• b: 16.0951 ± 0.0004 Å
• c: 14.7471 ± 0.0004 Å
• α: 90°
• β: 94.621 ± 0.001°
• γ: 90°
• Cell volume: 2735.79 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.1668
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No