Information card for entry 7041386

Structure parameters

• Formula: C47 H48 B2 F8 N3 Ni P3
• Calculated formula: C47 H48 B2 F8 N3 Ni P3
• SMILES: [Ni]1([P](c2ccccc2)(CC(C)(CP(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 20.7166 ± 0.0005 Å
• b: 12.4767 ± 0.0003 Å
• c: 20.5881 ± 0.0003 Å
• α: 90°
• β: 109.315 ± 0.002°
• γ: 90°
• Cell volume: 5022 ± 0.2 ų
• Cell temperature: 105.1 ± 0.14 K
• Ambient diffraction temperature: 105.1 ± 0.14 K
• Number of distinct elements: 7
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0492
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No