Information card for entry 4504463

Structure parameters

• Formula: C24 H28 N4 Ni O6
• Calculated formula: C24 H28 N4 Ni O6
• Title of publication: Two- and Three-Dimensional Divalent Metal Isophthalate Coordination Polymers Incorporating Flexible Bispyridylmethylpiperazine Tethers: Structure Direction through Coordination Geometry Preferences, Carboxylate Binding Mode, and Ligand Conformation
• Authors of publication: Martin, David P.; Braverman, Maxwell A.; LaDuca, Robert L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2609
• a: 9.3093 ± 0.0018 Å
• b: 25.642 ± 0.005 Å
• c: 10.235 ± 0.002 Å
• α: 90°
• β: 98.818 ± 0.003°
• γ: 90°
• Cell volume: 2414.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No