Information card for entry 7034330

Structure parameters

• Formula: C33 H36 N2 Ni
• Calculated formula: C33 H36 N2 Ni
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ni]12345c2ccccc2c2ccccc12.c1(cc(cc(c1[n+]1cn(cc1)CCCC)C)C)C
• 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: 10.6985 ± 0.0001 Å
• b: 15.4023 ± 0.0001 Å
• c: 16.7954 ± 0.0001 Å
• α: 90°
• β: 96.035 ± 0.001°
• γ: 90°
• Cell volume: 2752.23 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No