Information card for entry 4071718

Structure parameters

• Formula: C30 H29 Ni3
• Calculated formula: C30 H29 Ni3
• SMILES: [Ni]1234([c]5([cH]4[cH]3[cH]2[cH]15)C)[C]12[Ni]3456([c]7([cH]6[cH]5[cH]4[cH]37)C)[C]=1([Ni]1345[c]6([cH]1[cH]3[cH]4[cH]56)C)C=CC(=C2)c1ccccc1
• Title of publication: Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water
• Authors of publication: Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3618
• a: 16.393 ± 0.006 Å
• b: 9.319 ± 0.005 Å
• c: 17.292 ± 0.007 Å
• α: 90°
• β: 109.71 ± 0.05°
• γ: 90°
• Cell volume: 2487 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No