Information card for entry 4082537

Structure parameters

• Formula: C110 H126 Al4 P6
• Calculated formula: C110 H126 Al4 P6
• SMILES: [Al]12(P[Al]3([PH2][Al]([PH2]1)(P[Al]([PH2]2)([PH2]3)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1(ccccc1)C.Cc1ccccc1
• 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: 15.531 ± 0.004 Å
• b: 22.488 ± 0.006 Å
• c: 30.271 ± 0.009 Å
• α: 90°
• β: 99.427 ± 0.012°
• γ: 90°
• Cell volume: 10430 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No