Information card for entry 4318398

Structure parameters

• Formula: C41.5 H39 Au2 N2.5 O5 P2 S
• Calculated formula: C41.5 H39 Au2 N2.5 O5 P2 S
• Title of publication: Supramolecular Gold(I) Thiobarbiturate Chemistry: Combining Aurophilicity and Hydrogen Bonding to Make Polymers, Sheets, and Networks
• Authors of publication: William J. Hunks; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4590 - 4598
• a: 9.0232 ± 0.0003 Å
• b: 11.7995 ± 0.0009 Å
• c: 21.6567 ± 0.0009 Å
• α: 83.222 ± 0.002°
• β: 79.145 ± 0.002°
• γ: 85.193 ± 0.002°
• Cell volume: 2244.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No