Information card for entry 4302457

Structure parameters

• Formula: C60.81 H66.44 Al4 Cl1.19 N6 O4 P4
• Calculated formula: C60.814 H66.442 Al4 Cl1.186 N6 O4 P4
• 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: 18.963 ± 0.003 Å
• b: 18.529 ± 0.002 Å
• c: 17.96 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6310.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No