Information card for entry 7034328

Structure parameters

• Formula: C44 H52 N2 Ni O
• Calculated formula: C44 H52 N2 Ni O
• SMILES: C1=[N+](CCN1c1c(cccc1CC)CC)c1c(cccc1CC)CC.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: 17.143 ± 0.0005 Å
• b: 13.1907 ± 0.0002 Å
• c: 17.542 ± 0.0004 Å
• α: 90°
• β: 114.528 ± 0.003°
• γ: 90°
• Cell volume: 3608.78 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No