Information card for entry 7102758

Structure parameters

• Formula: C39 H53 Al N2 P2
• Calculated formula: C39 H53 Al N2 P2
• SMILES: [Al]1(N(P([P@](=[N]1c1c(cccc1C(C)C)C(C)C)(C)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Formation of a chiral NPPN ligand via metallation of acyclic NPNCN systems.
• Authors of publication: Chivers, Tristram; Copsey, May C; Parvez, Masood
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 2818 - 2819
• a: 9.5496 ± 0.0019 Å
• b: 13.51 ± 0.003 Å
• c: 29.73 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3835.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No