Information card for entry 4302456

Structure parameters

• Formula: C85 H68 Al N9 P6 Se6
• Calculated formula: C85 H68 Al N9 P6 Se6
• 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: 16.048 ± 0.002 Å
• b: 16.886 ± 0.002 Å
• c: 18.437 ± 0.003 Å
• α: 115.85 ± 0.02°
• β: 90.51 ± 0.02°
• γ: 112.88 ± 0.02°
• Cell volume: 4045.4 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No