Information card for entry 4338907

Structure parameters

• Formula: C16 H19 N3 Ni O5
• Calculated formula: C16 H19 N3 Ni O5
• Title of publication: Diverse entangled metal-organic framework materials incorporating kinked organodiimine and flexible aliphatic dicarboxylate ligands: synthesis, structure, physical properties, and reversible structural reorganization.
• Authors of publication: Montney, Matthew R.; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7362 - 7370
• a: 23.157 ± 0.003 Å
• b: 9.3556 ± 0.0013 Å
• c: 17.074 ± 0.002 Å
• α: 90°
• β: 119.455 ± 0.002°
• γ: 90°
• Cell volume: 3220.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No