Information card for entry 7016383

Structure parameters

• Formula: C40 H49 O4 P Si2
• Calculated formula: C40 H49 O4 P Si2
• SMILES: p1(Oc2cc(O)c(cc2C(C)(C)C)C(C)(C)C)oc2c([Si](C)(C)C)cc3ccccc3c2c2c3ccccc3cc([Si](C)(C)C)c2o1
• Title of publication: Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.
• Authors of publication: Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 9034 - 9041
• a: 9.9085 ± 0.0004 Å
• b: 11.2581 ± 0.0004 Å
• c: 34.2755 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3823.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No