Information card for entry 4506567

Structure parameters

• Formula: C28 H20 N4 Ni O5
• Calculated formula: C28 H18 N4 Ni O5
• Title of publication: Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates
• Authors of publication: Banerjee, Kaustuv; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4264
• a: 8.7967 ± 0.0017 Å
• b: 13.421 ± 0.003 Å
• c: 20.615 ± 0.004 Å
• α: 90°
• β: 92.277 ± 0.006°
• γ: 90°
• Cell volume: 2431.9 ± 0.9 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: 0.0661
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No