Information card for entry 4505042

Structure parameters

• Formula: C17.5 H13 Co N3 O4.5
• Calculated formula: C17.5 H11 Co N3 O4.5
• Title of publication: Characterization of 3-D Metal−Organic Frameworks Formed through Hydrogen Bonding Interactions of 2-D Networks with Rectangular Voids by CoII- and NiII-Pyridine-2,6-dicarboxylate and 4,4‘-Bipyridine or 1,2-Di(pyridyl)ethylene
• Authors of publication: Ghosh, Sujit K.; Ribas, Joan; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 623
• a: 11.419 ± 0.003 Å
• b: 10.29 ± 0.002 Å
• c: 15.695 ± 0.005 Å
• α: 90°
• β: 96.052 ± 0.005°
• γ: 90°
• Cell volume: 1833.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.079
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No