Information card for entry 7034331

Structure parameters

• Formula: C38 H40 N2 Ni
• Calculated formula: C38 H40 N2 Ni
• SMILES: [Ni]1234(=C5N(CCN5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)c1ccccc1c1ccccc1
• Title of publication: Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity.
• Authors of publication: Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7169 - 7176
• a: 13.4758 ± 0.0002 Å
• b: 13.6096 ± 0.0002 Å
• c: 17.1452 ± 0.0003 Å
• α: 90°
• β: 105.054 ± 0.002°
• γ: 90°
• Cell volume: 3036.52 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No