Information card for entry 4302458

Structure parameters

• Formula: C31 H35 Al2 N3 P2 S2
• Calculated formula: C31 H35 Al2 N3 P2 S2
• SMILES: P1(=[S][Al](n2c1c(P(=S)(c1ccccc1)c1ccccc1)n[n]2[Al](C)(C)C)(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: 8.159 ± 0.002 Å
• b: 12.158 ± 0.003 Å
• c: 18.367 ± 0.003 Å
• α: 95.56 ± 0.02°
• β: 96.66 ± 0.03°
• γ: 104.7 ± 0.03°
• Cell volume: 1735.2 ± 0.7 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: 0.0614
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No