Information card for entry 7013265

Structure parameters

• Formula: C40 H81 Al2.5 Cl2.5 O14 P2
• Calculated formula: C40 H71 Al2.5 Cl2.5 O14 P2
• Title of publication: Aluminophosphonate clusters: a new architecture
• Authors of publication: Thierry Azaïs; Christian Bonhomme; Laure Bonhomme-Coury; Guido Kickelbick
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 3158 - 3159
• a: 20.56 ± 0.02 Å
• b: 22.659 ± 0.016 Å
• c: 24.35 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11344 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No