Information card for entry 4511944

Structure parameters

• Formula: C16 Al3 N2 O21
• Calculated formula: C16 Al3 N2 O21
• Title of publication: Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework
• Authors of publication: Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5310
• a: 37.133 ± 0.0013 Å
• b: 11.5278 ± 0.0004 Å
• c: 6.51553 ± 0.00018 Å
• α: 90°
• β: 109.266 ± 0.003°
• γ: 90°
• Cell volume: 2632.85 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor R(I) for significantly intense reflections: 0.03
• Goodness-of-fit parameter for all reflections: 1.09523
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.827164 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No