Information card for entry 7009149

Structure parameters

• Formula: C98 H120 Cl12 O8 P2 Pt2
• Calculated formula: C98 H114 Cl12 O8 P2 Pt2
• SMILES: c1(c2cc(cc1Cc1c3O[P]4(Oc5c(Cc6c(O4)c(Cc3cc(c1)C(C)(C)C)cc(c6)C(C)(C)C)cc(cc5C2)C(C)(C)C)[Pt]1(Cl)[Cl][Pt]([P]23Oc4c5cc(cc4Cc4c(c(cc(c4)C(C)(C)C)Cc4c(O3)c(Cc3c(O2)c(C5)cc(c3)C(C)(C)C)cc(c4)C(C)(C)C)O)C(C)(C)C)(Cl)[Cl]1)C(C)(C)C)O.C(Cl)Cl.C(Cl)Cl.c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Calix[4]arene derived phosphites: their hydrolytic stability and complexes with gold(I), platinum(II,0), palladium(II) and iridium(I)
• Authors of publication: Cobley, Christopher J.; Ellis, Dianne D.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1101
• a: 13.6605 ± 0.0014 Å
• b: 13.821 ± 0.002 Å
• c: 14.66 ± 0.002 Å
• α: 104.27 ± 0.011°
• β: 101.943 ± 0.012°
• γ: 104.796 ± 0.008°
• Cell volume: 2483.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.1037
• Goodness-of-fit parameter for all reflections: 0.789
• Goodness-of-fit parameter for significantly intense reflections: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No