Information card for entry 4323278

Structure parameters

• Common name: number 6
• Formula: C30 H50 Ni O4
• Calculated formula: C30 H50 Ni O4
• SMILES: CC1=[O][Ni]2(OC(=C1CCCCCCCCC=C)C)OC(=C(C(=[O]2)C)CCCCCCCCC=C)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: 4.8067 ± 0.0002 Å
• b: 8.2809 ± 0.0003 Å
• c: 19.4014 ± 0.0007 Å
• α: 90.974 ± 0.004°
• β: 91.907 ± 0.004°
• γ: 102.495 ± 0.004°
• Cell volume: 753.31 ± 0.05 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: 0.0465
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.1292
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No