Information card for entry 4332040

Structure parameters

• Formula: C115 H169 Al3 Br N6 O15 P2
• Calculated formula: C115 H169 Al3 Br N6 O15 P2
• Title of publication: Aluminum Phosphinate and Phosphates of Salen Ligands
• Authors of publication: Mitra, Amitabha; Parkin, Sean; Atwood, David A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 3970 - 3975
• a: 15.0232 ± 0.0001 Å
• b: 18.8031 ± 0.0002 Å
• c: 21.9993 ± 0.0003 Å
• α: 89.9924 ± 0.0004°
• β: 71.8021 ± 0.0004°
• γ: 82.2916 ± 0.0004°
• Cell volume: 5844.49 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No