Information card for entry 4071717

Structure parameters

• Formula: C30 H29 Ni3
• Calculated formula: C30 H29 Ni3
• SMILES: [Ni]12345([c]6([cH]1[cH]2[cH]3[cH]46)C)[C]1([Ni]2346[c]7([cH]2[cH]3[cH]4[cH]67)C)C(=CC=C[C]5=1[Ni]1234[c]5([cH]1[cH]2[cH]3[cH]45)C)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: 12.505 ± 0.006 Å
• b: 9.792 ± 0.005 Å
• c: 19.219 ± 0.008 Å
• α: 90°
• β: 94.32 ± 0.05°
• γ: 90°
• Cell volume: 2346.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No