Information card for entry 7218612

Structure parameters

• Formula: C6 H9 Ga N4 O3
• Calculated formula: C6 Ga N4 O3
• Title of publication: Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand
• Authors of publication: Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 313
• a: 14.8281 ± 0.0016 Å
• b: 6.4872 ± 0.0005 Å
• c: 11.3503 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1091.82 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.0962
• Goodness-of-fit parameter for all reflections: 3.02
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No