Information card for entry 4082535

Structure parameters

• Formula: C94.5 H140 Al2 N2
• Calculated formula: C94.5 H140 Al2 N2
• SMILES: [AlH]1([NH2][AlH]([NH2]1)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis and Characterization of Primary Aluminum Parent Amides and Phosphides
• Authors of publication: Melton, Christopher E.; Dube, Jonathan W.; Ragogna, Paul J.; Fettinger, James C.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 329
• a: 15.3432 ± 0.0008 Å
• b: 23.0003 ± 0.0012 Å
• c: 26.0164 ± 0.0014 Å
• α: 90°
• β: 99.378 ± 0.002°
• γ: 90°
• Cell volume: 9058.4 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No