Information card for entry 7016636

Structure parameters

• Formula: C64 H62 Au2 Cl2 O4 P2
• Calculated formula: C64 H62 Au2 Cl2 O4 P2
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)c1cc2Cc3c(OCC=C)c(cc([P]([Au]Cl)(c4ccccc4)c4ccccc4)c3)Cc3cccc(Cc4cccc(Cc(c1)c2OCC=C)c4OCCC)c3OCCC
• 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: 22.808 ± 0.007 Å
• b: 15.115 ± 0.005 Å
• c: 17.83 ± 0.006 Å
• α: 90°
• β: 95.811 ± 0.01°
• γ: 90°
• Cell volume: 6115 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No