Information card for entry 4114727

Structure parameters

• Formula: C56.5 H53 Au2 Br Cl3 O2.5 P2
• Calculated formula: C56.5 H53 Au2 Br Cl3 O2.5 P2
• Title of publication: Gold(I) Macrocycles and Topologically Chiral [2]Catenanes
• Authors of publication: Christopher P. McArdle; Steve Van; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3959 - 3965
• a: 11.2137 ± 0.0003 Å
• b: 20.7128 ± 0.0007 Å
• c: 24.6213 ± 0.0007 Å
• α: 104.052 ± 0.002°
• β: 93.098 ± 0.002°
• γ: 102.873 ± 0.002°
• Cell volume: 5372.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No