Information card for entry 7027999

Structure parameters

• Formula: C96 H100 Au4 Cl4 O4 P4
• Calculated formula: C96 H100 Au4 Cl4 O4 P4
• SMILES: O(c1c2cc(cc1Cc1c(OC[P]([Au]Cl)(c3ccccc3)c3ccccc3)c(cc(c1)C(C)(C)C)Cc1c(OC[P]([Au]Cl)(c3ccccc3)c3ccccc3)c(cc(c1)C(C)(C)C)Cc1c(OC[P]([Au]Cl)(c3ccccc3)c3ccccc3)c(cc(c1)C(C)(C)C)C2)C(C)(C)C)C[P]([Au]Cl)(c1ccccc1)c1ccccc1
• Title of publication: Mobility of gold and silver ions around a macrocyclic polyphosphane. Supramolecular architecture of a digold‒calix[4]arene complex
• Authors of publication: Dieleman, Cedric B.; Matt, Dominique; Neda, Ion; Schmutzler, Reinhard; Thönnessen, Holger; Jones, Peter G.; Harriman, Anthony
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 13
• Pages of publication: 2115
• a: 29.37 ± 0.004 Å
• b: 22.809 ± 0.003 Å
• c: 18.807 ± 0.003 Å
• α: 90°
• β: 114.795 ± 0.015°
• γ: 90°
• Cell volume: 11437 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.1308
• Goodness-of-fit parameter for all reflections: 0.92
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No