Information card for entry 7239901

Structure parameters

• Formula: C30.97 H24.94 Mn3 N5.66 O14
• Calculated formula: C30.92 H25.48 Mn3 N5.64 O14
• Title of publication: New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems
• Authors of publication: Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.5931 ± 0.0006 Å
• b: 13.5663 ± 0.0005 Å
• c: 27.2835 ± 0.0013 Å
• α: 90°
• β: 89.922 ± 0.005°
• γ: 90°
• Cell volume: 4291 ± 0.3 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.3064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No