Information card for entry 7041390

Structure parameters

• Common name: TrophosNiBr
• Chemical name: TriphosNiBr
• Formula: C40 H39 Br Ni P3 Si
• Calculated formula: C40 H39 Br Ni P3 Si
• SMILES: [Ni]12([P](c3ccccc3)(C[Si](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)c1ccccc1)Br
• 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: 10.2603 ± 0.0018 Å
• b: 17.719 ± 0.002 Å
• c: 10.385 ± 0.002 Å
• α: 90°
• β: 105.514 ± 0.015°
• γ: 90°
• Cell volume: 1819.2 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No