Information card for entry 7016635

Structure parameters

• Formula: C64.5 H62.5 Cl5.5 O4 P2 Pd2
• Calculated formula: C64.5 H62.5 Cl5.5 O4 P2 Pd2
• Title of publication: Binucleating behaviour of a proximally-diphosphinated calix[4]arene.
• Authors of publication: Awada, Mouhamad; Jeunesse, Catherine; Matt, Dominique; Toupet, Loic; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10063 - 10070
• a: 11.988 ± 0.0003 Å
• b: 13.282 ± 0.0003 Å
• c: 22.699 ± 0.0005 Å
• α: 95.162 ± 0.002°
• β: 103.609 ± 0.002°
• γ: 113.39 ± 0.002°
• Cell volume: 3155.24 ± 0.15 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No