Information card for entry 7019177

Structure parameters

• Formula: C70 H88 Cl2 O8 P2 Pd
• Calculated formula: C68 H80 Cl2 O6 P2 Pd
• Title of publication: A bisphosphonite calix[5]arene ligand that stabilizes η(6) arene coordination to palladium.
• Authors of publication: Rios, Beatriz E.; Sood, Paul; Klichko, Yaroslav; Koutha, Mohan; Powell, Douglas; Lattman, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6677 - 6682
• a: 12.421 ± 0.002 Å
• b: 15.899 ± 0.003 Å
• c: 17.188 ± 0.004 Å
• α: 97.341 ± 0.003°
• β: 98.159 ± 0.003°
• γ: 97.589 ± 0.004°
• Cell volume: 3293.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No