Information card for entry 4071118

Structure parameters

• Common name: PW19
• Formula: C21 H23 Li Ni O2
• Calculated formula: C21 H23 Li Ni O2
• SMILES: [C]123C=CC=C[C]4=1[C]15C=CC=C[C]6=1[Ni]17892([cH]2[cH]1[cH]7[cH]8[cH]92)[Li]13456[O](C)C(C[O]1C)
• Title of publication: Synthesis and Structures of 9-Nickelafluorenyllithium Complexes
• Authors of publication: Buchalski, Piotr; Grabowska, Ilona; Kamińska, Elżbieta; Suwińska, Kinga
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2346
• a: 16.5651 ± 0.0005 Å
• b: 14.5732 ± 0.0005 Å
• c: 17.3587 ± 0.0003 Å
• α: 90 ± 0.002°
• β: 116.77 ± 0.002°
• γ: 90 ± 0.001°
• Cell volume: 3741.37 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No