Information card for entry 4323277

Structure parameters

• Common name: number 5
• Formula: C26 H42 Ni O4
• Calculated formula: C26 H42 Ni O4
• SMILES: CC1=C(C(=[O][Ni]2(O1)OC(=C(C(=[O]2)C)CCCCCCC=C)C)C)CCCCCCC=C
• 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: 4.8449 ± 0.0005 Å
• b: 8.3202 ± 0.0008 Å
• c: 16.7918 ± 0.0011 Å
• α: 89.48 ± 0.004°
• β: 88.24 ± 0.004°
• γ: 77.299 ± 0.01°
• Cell volume: 660.01 ± 0.11 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: 0.0564
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1538
• Weighted residual factors for significantly intense reflections: 0.1504
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for significantly intense reflections: 1.186
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No