Information card for entry 4318396

Structure parameters

• Formula: C49 H54 Au2 N6 O8 P2 S2
• Calculated formula: C49 H54 Au2 N6 O8 P2 S2
• 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: 19.5868 ± 0.0006 Å
• b: 11.8261 ± 0.0003 Å
• c: 22.2825 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5161.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No