Information card for entry 7039920

Structure parameters

• Formula: C54 H45 Cl Cu O6 P3 Si3
• Calculated formula: C54 H45 Cl Cu O6 P3 Si3
• SMILES: c1(ccccc1)[Si]12O[P](c3ccccc3)(c3ccccc3)[Cu]3(Cl)[P](c4ccccc4)(O[Si](O1)(c1ccccc1)O[Si](c1ccccc1)(O[P]3(c1ccccc1)c1ccccc1)O2)c1ccccc1
• 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: 22.297 ± 0.0004 Å
• b: 22.297 ± 0.0004 Å
• c: 22.297 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11085.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No