Information card for entry 7246508

Structure parameters

• Formula: C18 H23 N2 Ni0.5 O7
• Calculated formula: C18 H23 N2 Ni0.5 O7
• Title of publication: Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor
• Authors of publication: Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 2463 - 2472
• a: 7.8959 ± 0.0007 Å
• b: 9.112 ± 0.0007 Å
• c: 13.1382 ± 0.0011 Å
• α: 93.469 ± 0.005°
• β: 94.076 ± 0.004°
• γ: 101.046 ± 0.004°
• Cell volume: 922.74 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0746
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No