Information card for entry 4306499

Structure parameters

• Chemical name: hexa(hexafluoroacetylacetonate)-trinickel(II,II,II)
• Formula: C30 H6 F36 Ni3 O12
• Calculated formula: C30 H6 F35.97 Ni3 O12
• Title of publication: Fluorinated β-Diketonates of the First Row Divalent Transition Metals: New Approach to the Synthesis of Unsolvated Species
• Authors of publication: Haitao Zhang; Bo Li; Jinyu Sun; Rodolphe Clérac; Evgeny V. Dikarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10046 - 10052
• a: 13.515 ± 0.003 Å
• b: 16.995 ± 0.003 Å
• c: 20.016 ± 0.004 Å
• α: 90°
• β: 96.33 ± 0.03°
• γ: 90°
• Cell volume: 4569.4 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No