Information card for entry 7039919

Structure parameters

• Formula: C32 H32 Cu2 I2 N4 O P2
• Calculated formula: C32 H32 Cu2 I2 N4 O P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)O[P](c2ccccc2)(c2ccccc2)[Cu]23([I][Cu]12([N]#CC)[I]3)[N]#CC.N#CC.N#CC
• 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: 22.3076 ± 0.001 Å
• b: 8.4153 ± 0.0003 Å
• c: 21.183 ± 0.001 Å
• α: 90°
• β: 118.621 ± 0.002°
• γ: 90°
• Cell volume: 3490.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No