Information card for entry 7011581

Structure parameters

• Formula: C49.5 H49 Au2 Cl O4.5 P2
• Calculated formula: C49.5 H49 Au2 Cl O4.5 P2
• Title of publication: Interpenetrating digold(i) diacetylide macrocycles
• Authors of publication: Hunks, William J.; Lapierre, Jennifer; Jenkins, Hilary A.; Puddephatt, Richard J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2885
• a: 10.6544 ± 0.0006 Å
• b: 27.8275 ± 0.0014 Å
• c: 16.5665 ± 0.0009 Å
• α: 90°
• β: 98.377 ± 0.001°
• γ: 90°
• Cell volume: 4859.3 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1588
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.3186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No