Information card for entry 4505043

Structure parameters

• Formula: C17.5 H13 N3 Ni O4.5
• Calculated formula: C17.5 H11 N3 Ni 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: 11.249 ± 0.005 Å
• b: 10.277 ± 0.002 Å
• c: 15.607 ± 0.005 Å
• α: 90°
• β: 97.916 ± 0.005°
• γ: 90°
• Cell volume: 1787.1 ± 1 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: 0.1322
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No