Information card for entry 7239898

Structure parameters

• Formula: C30 H30 Mn3 N6 O15
• Calculated formula: C30 H30 Mn3 N6 O15
• 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: 12.3457 ± 0.0002 Å
• b: 11.3248 ± 0.0002 Å
• c: 29.2277 ± 0.0004 Å
• α: 90°
• β: 98.689 ± 0.001°
• γ: 90°
• Cell volume: 4039.5 ± 0.11 ų
• Cell temperature: 112.8 ± 0.3 K
• Ambient diffraction temperature: 112.8 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No