Information card for entry 7041389

Structure parameters

• Common name: Triphos_C_NiCl BF4
• Chemical name: Triphos_C_NiCl BF4
• Formula: C41 H39 B Cl F4 Ni P3
• Calculated formula: C41 H39 B Cl F4 Ni P3
• SMILES: CC12C[P](c3ccccc3)(c3ccccc3)[Ni](Cl)([P](c3ccccc3)(C1)c1ccccc1)[P](c1ccccc1)(C2)c1ccccc1.[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: 33.558 ± 0.002 Å
• b: 33.558 ± 0.002 Å
• c: 33.558 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37791 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3 :2
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No