Information card for entry 7034327

Structure parameters

• Formula: C46 H56 N2 Ni O2
• Calculated formula: C46 H56 N2 Ni O2
• SMILES: [Ni]12345([cH]6[cH]4[cH]3[cH]2[cH]16)c1ccccc1c1ccccc51.[N+]1(=CN(CC1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1.O1CCCC1
• 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: 9.0713 ± 0.0002 Å
• b: 24.61 ± 0.002 Å
• c: 16.8975 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3772.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No