Information card for entry 7113616

Structure parameters

• Common name: [Ni(eta3-CH2C(Me)CH2)(SbPh3)3].[B(Ph(CF3)2)4]
• Chemical name: (trihapto-2-methyl-allyl)-tris(triphenylstibine)-nickel (II) tetrakis(3,5-bis(trifluoromethyl)phenyl) borate
• Formula: C90 H64 B F24 Ni Sb3
• Calculated formula: C90 H64 B F24 Ni Sb3
• Title of publication: [Ni(η3-CH2C(CH3)CH2)(SbPh3)3][BAr'4]: an extremely active cationic allyl nickel‒stibine catalyst for the oligomerization of styrene
• Authors of publication: Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro; Costa, Sandra I.; Gomes, Pedro T.; Mereiter, Kurt
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1168 - 1169
• a: 14.075 ± 0.003 Å
• b: 17.525 ± 0.003 Å
• c: 18.742 ± 0.003 Å
• α: 93.201 ± 0.003°
• β: 106.5 ± 0.003°
• γ: 98.886 ± 0.003°
• Cell volume: 4355.1 ± 1.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103662
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No