Information card for entry 7041388

Structure parameters

• Common name: Triphos(C)NiCl
• Chemical name: Triphos(C)NiCl
• Formula: C41 H39 Cl Ni P3
• Calculated formula: C41 H39 Cl Ni P3
• SMILES: [Ni]12(Cl)[P](c3ccccc3)(c3ccccc3)CC(C)(C[P]2(c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1
• 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: 20.7 ± 0.02 Å
• b: 10.259 ± 0.011 Å
• c: 16.853 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3579 ± 6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No