Information card for entry 7239896

Structure parameters

• Formula: C10.5 H4.5 Cd N1.5 O6
• Calculated formula: C10.5 H4.5 Cd N1.5 O6
• 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: 10.1522 ± 0.0003 Å
• b: 33.2337 ± 0.0012 Å
• c: 12.3547 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4168.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No