Information card for entry 7703818

Structure parameters

• Formula: C12 Al2 O8.85
• Calculated formula: C12 Al2 O8.854
• Title of publication: Influence of the substitution pattern of four naphthalenedicarboxylic acids on the structures and properties of group 13 metal-organic frameworks and coordination polymers.
• Authors of publication: Rabe, Timo; Pewe, Harm; Reinsch, Helge; Willhammar, Tom; Svensson Grape, Erik; Stock, Norbert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4861 - 4868
• a: 7.5927 ± 0.0018 Å
• b: 12.86 ± 0.002 Å
• c: 9.7151 ± 0.0014 Å
• α: 90°
• β: 135.335 ± 0.008°
• γ: 90°
• Cell volume: 666.8 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor R(I) for significantly intense reflections: 0.0113
• Goodness-of-fit parameter for all reflections: 2.31117
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No