Information card for entry 4511181

Structure parameters

• Formula: C18 H23 N3 Ni O5
• Calculated formula: C18 H23 N3 Ni O5
• Title of publication: Generation of Three-Dimensional Networks through Aliphatic Chain Disorder in a Divalent Metal Dicarboxylate/Organodiimine Coordination Polymer System
• Authors of publication: Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 358
• a: 8.646 ± 0.002 Å
• b: 15.702 ± 0.004 Å
• c: 14.241 ± 0.004 Å
• α: 90°
• β: 106.772 ± 0.003°
• γ: 90°
• Cell volume: 1851.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No