Information card for entry 4064867

Structure parameters

• Formula: C36 H47 Ni P
• Calculated formula: C36 H47 Ni P
• SMILES: [Ni]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C)[c]5([c]1([c]2([c]3([cH]45)C(C)C)C(C)C)C(C)C)C(C)C
• Title of publication: Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide
• Authors of publication: Weismann, Daniel; Saurenz, Dirk; Boese, Roland; Bläser, Dieter; Wolmershäuser, Gotthelf; Sun, Yu; Sitzmann, Helmut
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 6351
• a: 9.6646 ± 0.0006 Å
• b: 23.3369 ± 0.0019 Å
• c: 14.4152 ± 0.0009 Å
• α: 90°
• β: 92.818 ± 0.007°
• γ: 90°
• Cell volume: 3247.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No