Information card for entry 7041387

Structure parameters

• Common name: Triphos(Si)Ni(CH2PPh2) BF4
• Chemical name: Triphos(Si)Ni(CH2PPh2) BF4
• Formula: C55 H54 B F4 N Ni P4 Si
• Calculated formula: C55 H54 B F4 N Ni P4 Si
• Title of publication: Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.
• Authors of publication: Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 907 - 917
• a: 10.3301 ± 0.0001 Å
• b: 20.6239 ± 0.0002 Å
• c: 23.6859 ± 0.0002 Å
• α: 90°
• β: 90.01 ± 0.02°
• γ: 90°
• Cell volume: 5046.21 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No