Information card for entry 7251257

Structure parameters

• Formula: C17 H16 N4 Ni O4.17
• Calculated formula: C17 H16 N4 Ni O4.166
• Title of publication: Crystal engineering of Nickel(II) coordination networks sustained by aliphatic dicarboxylate linker ligands
• Authors of publication: Zaworotko, Michael; Singh, Bharti; He, Tao
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 7.7152 ± 0.0002 Å
• b: 7.9573 ± 0.0001 Å
• c: 14.2571 ± 0.0003 Å
• α: 91.217 ± 0.001°
• β: 104.774 ± 0.001°
• γ: 97.6 ± 0.001°
• Cell volume: 837.52 ± 0.03 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No