Information card for entry 4326224

Structure parameters

• Formula: C47 H84 N16 Ni8 O35
• Calculated formula: C42 H56 N16 Ni8 O30
• SMILES: c12C(C)=[N]3O[Ni]456([OH]7[Ni]89[n]%10c(C(C)=[N]8O[Ni]8%117([OH]5[Ni]53[n]2c(C(C)=[N]5O[Ni]2([OH]8[Ni]35[n]7c(C(=[N]3O%11)C)cccc7C(=[N]5O2)C)([OH]C)(ON(=O)=O)ON(=O)=O)ccc1)[OH]C)cccc%10C(C)=[N]9O[Ni]1([OH]4[Ni]23[N](O1)=C(c1[n]2c(C(=[N]3O6)C)ccc1)C)([OH]C)(ON(=O)=O)ON(=O)=O)[OH]C.CO.CO
• Title of publication: Ni5, Ni8, and Ni10 Clusters with 2,6-Diacetylpyridine-dioxime as a Ligand
• Authors of publication: Albert Escuer; Jordi Esteban; Olivier Roubeau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8893 - 8901
• a: 11.261 ± 0.002 Å
• b: 12.292 ± 0.003 Å
• c: 13.577 ± 0.003 Å
• α: 86.483 ± 0.011°
• β: 67.605 ± 0.011°
• γ: 84.672 ± 0.012°
• Cell volume: 1729.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0946
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No