Information card for entry 4302453

Structure parameters

• Formula: C28 H26 Al N3 O2 P2
• Calculated formula: C28 H26 Al N3 O2 P2
• SMILES: P1(=[O][Al](OP(=c2c1nnn2)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands
• Authors of publication: Jocelyn Alcántara-García; Vojtech Jancik; Joaquín Barroso; Sandra Hidalgo-Bonilla; Raymundo Cea-Olivares; Rubén A. Toscano; Mónica Moya-Cabrera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5874 - 5883
• a: 9.972 ± 0.002 Å
• b: 28.684 ± 0.005 Å
• c: 10.075 ± 0.002 Å
• α: 90°
• β: 111.01 ± 0.04°
• γ: 90°
• Cell volume: 2690.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No