Information card for entry 4318399

Structure parameters

• Formula: C57 H82 Au6 N23 O29 S6
• Calculated formula: C57 H82 Au6 N23 O29 S6
• 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: 31.15 ± 0.004 Å
• b: 22.367 ± 0.003 Å
• c: 14.4693 ± 0.0019 Å
• α: 90°
• β: 111.407 ± 0.007°
• γ: 90°
• Cell volume: 9386 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1754
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.3342
• Weighted residual factors for all reflections included in the refinement: 0.3697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No