Information card for entry 7028000

Structure parameters

• Formula: C76 H90 Au2 Cl2 N12 O13 P8
• Calculated formula: C75 H95 Au2 Cl2 N12 O13 P4
• 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: 37.23 ± 0.006 Å
• b: 27.211 ± 0.004 Å
• c: 21.269 ± 0.004 Å
• α: 90°
• β: 124.671 ± 0.01°
• γ: 90°
• Cell volume: 17721 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• 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: 0.1116
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.0913
• Goodness-of-fit parameter for all reflections: 0.858
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No