Information card for entry 7030503

Structure parameters

• Formula: C104 H108 Br6 Cl2 O8 P2 Pt
• Calculated formula: C104 H108 Br6 Cl2 O8 P2 Pt
• SMILES: [Pt](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1cc2c(OCCC)c(c1)Cc1cc(Br)cc(Cc3cc(Br)cc(Cc4c(OCCC)c(C2)cc(Br)c4)c3OCCC)c1OCCC)[P](c1ccccc1)(c1ccccc1)c1cc2c(OCCC)c(c1)Cc1cc(Br)cc(c1OCCC)Cc1c(OCCC)c(cc(Br)c1)Cc1cc(Br)cc(c1OCCC)C2
• Title of publication: Calixarene-monophosphines as supramolecular chelators
• Authors of publication: Sameni, Soheila; Lejeune, Manuel; Jeunesse, Catherine; Matt, Dominique; Welter, Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 7912 - 7923
• a: 28.679 ± 0.004 Å
• b: 17.694 ± 0.003 Å
• c: 22.627 ± 0.003 Å
• α: 90°
• β: 99.01 ± 0.02°
• γ: 90°
• Cell volume: 11340 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1818
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002344
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No