Information card for entry 7016384

Structure parameters

• Formula: C66 H57 O4 P Si2
• Calculated formula: C66 H57 O4 P Si2
• SMILES: p1(oc2c([Si](C)(c3ccccc3)c3ccccc3)cc3ccccc3c2c2c3ccccc3cc([Si](C)(c3ccccc3)c3ccccc3)c2o1)Oc1cc(O)c(cc1C(C)(C)C)C(C)(C)C.CCCCCC
• 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: 9.9513 ± 0.001 Å
• b: 19.713 ± 0.002 Å
• c: 28.496 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5590.1 ± 1 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: 0.0641
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No