Information card for entry 4331481

Structure parameters

• Formula: C52 H64 Au2 Cl4 I20 N8
• Calculated formula: C52 H64 Au2 Cl4 I20 N8
• SMILES: c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].[I-][Au](I)(I)I.I[I-]I.II.II.I[Au]I.[Cl-].[Cl-].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].I[I-]I.II.II.[Cl-].[Cl-]
• Title of publication: Layered Organic-Based Metal Iodide−Polyiodide with Unique Mixed-Valent Gold(I/III) Iodide Chains
• Authors of publication: Castro-Castro, Laura M.; Guloy, Arnold M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 4537 - 4539
• a: 27.0703 ± 0.0017 Å
• b: 8.9363 ± 0.0005 Å
• c: 18.428 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4457.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No