Information card for entry 7719199

Structure parameters

• Formula: C68 H74 N8 Ni4 O18
• Calculated formula: C68 H72 N8 Ni4 O18
• Title of publication: Coordination clusters with a [Ni₄O₄] core as catalysts for α-alkylation of ketones with benzyl alcohols.
• Authors of publication: Kajal, ?; Kumar, Manish; Nayek, Hari Pada
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13326 - 13336
• a: 15.745 ± 0.0006 Å
• b: 20.8017 ± 0.0011 Å
• c: 23.2854 ± 0.0011 Å
• α: 90°
• β: 90.112 ± 0.004°
• γ: 90°
• Cell volume: 7626.5 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No