Information card for entry 7239897

Structure parameters

• Formula: C44 H48 N8 O14 Zn2
• Calculated formula: C44 H48 N8 O14 Zn2
• 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: 9.0778 ± 0.0008 Å
• b: 9.6883 ± 0.0008 Å
• c: 13.9491 ± 0.0013 Å
• α: 76.153 ± 0.008°
• β: 73.459 ± 0.008°
• γ: 84.233 ± 0.007°
• Cell volume: 1141.16 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No