Information card for entry 7034329

Structure parameters

• Common name: PW34
• Formula: C42 H46 N2 Ni O
• Calculated formula: C42 H46 N2 Ni O
• SMILES: c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c12ccccc1c1ccccc1[Ni]13452[cH]2[cH]1[cH]3[cH]4[cH]52.C1CCCO1
• 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: 13.0464 ± 0.0006 Å
• b: 17.1568 ± 0.0008 Å
• c: 15.5211 ± 0.0006 Å
• α: 90°
• β: 101.257 ± 0.002°
• γ: 90°
• Cell volume: 3407.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.14
• 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