Information card for entry 4071635

Structure parameters

• Formula: C34 H26 Ni3
• Calculated formula: C34 H26 Ni3
• SMILES: [Ni]123456([Ni]789%10%11%12%13([Ni]%14%15%16%17%18([C]%198=[C]7([C]79=[C]%10%14C=CC=C7)C=CC=C%19)[cH]7[cH]%15[cH]%16[cH]%17[cH]%187)[C]7([C]8%12=[C]2%13C=CC=C8)C=CC=C[C]1%11=7)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Novel 9-Nickelafluorenyl Sandwich Complexes of Nickel(II) and Cobalt(II)
• Authors of publication: Buchalski, Piotr; Grabowska, Ilona; Karaskiewicz, Anna; Suwińska, Kinga; Jerzykiewicz, Lucjan
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3316
• a: 18.3002 ± 0.0003 Å
• b: 9.116 ± 0.0003 Å
• c: 14.8054 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2469.91 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No