Information card for entry 7005804

Structure parameters

• Common name: trihapto-allyl-bromide-allyldiphenylphosphine-nickel (ii)
• Chemical name: trihapto-allyl-bromide-allyldiphenylphosphine-nickel (II)
• Formula: C18 H20 Br Ni P
• Calculated formula: C18 H20 Br Ni P
• SMILES: [Ni]12(Br)([P](CC=C)(c3ccccc3)c3ccccc3)[CH2]=[CH]1C2
• Title of publication: Oligomerization and regioselective hydrosilylation of styrenes catalyzed by cationic allyl nickel complexes bearing allylphosphine ligands.
• Authors of publication: Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3000 - 3009
• a: 11.461 ± 0.002 Å
• b: 16.298 ± 0.003 Å
• c: 18.029 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3367.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No