Information card for entry 2202767

Structure parameters

• Chemical name: Di-μ-acetylacetonato-bis[diacetylacetonato(tert-butylamine)nickel(II)]
• Formula: C28 H50 N2 Ni2 O8
• Calculated formula: C28 H50 N2 Ni2 O8
• SMILES: CC1=CC(=[O][Ni]23([NH2]C(C)(C)C)([O]1[Ni]14([NH2]C(C)(C)C)([O]3C(C)=CC(C)=[O]1)OC(=CC(=[O]4)C)C)OC(=CC(=[O]2)C)C)C
• Title of publication: Di-μ-acetylacetonato-bis[diacetylacetonato(<i>tert</i>-butylamine)nickel(II)]
• Authors of publication: He, Xiao-Hui; Yao, Ying-Zheng; Luo, Xiang; Zhang, Ling; Wu, Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1196 - m1197
• a: 9.073 ± 0.001 Å
• b: 9.141 ± 0.001 Å
• c: 11.513 ± 0.001 Å
• α: 110.555 ± 0.002°
• β: 99.252 ± 0.002°
• γ: 100.637 ± 0.002°
• Cell volume: 851.88 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No