Information card for entry 4323284

Structure parameters

• Common name: number 13
• Formula: C22 H22 Ni O4
• Calculated formula: C22 H22 Ni O4
• Title of publication: Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)
• Authors of publication: A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 177 - 183
• a: 10.5917 ± 0.0007 Å
• b: 12.3092 ± 0.0008 Å
• c: 12.5926 ± 0.0005 Å
• α: 103.937 ± 0.004°
• β: 96.388 ± 0.003°
• γ: 96.227 ± 0.005°
• Cell volume: 1567.89 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.1075
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No