Information card for entry 7039915

Structure parameters

• Formula: C45 H41 Cl2 Co P3 Si
• Calculated formula: C45 H41 Cl2 Co P3 Si
• SMILES: [Co]1([P](C[Si](C[P]1(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.
• Authors of publication: Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14774 - 14788
• a: 13.5425 ± 0.0009 Å
• b: 13.5858 ± 0.0005 Å
• c: 24.5419 ± 0.0017 Å
• α: 90°
• β: 105.036 ± 0.004°
• γ: 90°
• Cell volume: 4360.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No