Information card for entry 4318210

Structure parameters

• Formula: C50 H78 Au2 Cl4 P2 S2
• Calculated formula: C50 H78 Au2 Cl4 P2 S2
• SMILES: c1(ccc(cc1)c1ccc(cc1)S[Au][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)S[Au][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Aurophilicity-Based One-Dimensional Arrays of Gold(I) Phenylene-1,3- and -1,4-dithiolates
• Authors of publication: Hendrik Ehlich; Annette Schier; Hubert Schmidbaur
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3721 - 3727
• a: 9.7574 ± 0.0001 Å
• b: 11.7033 ± 0.0001 Å
• c: 23.7344 ± 0.0003 Å
• α: 90°
• β: 101.336 ± 0.001°
• γ: 90°
• Cell volume: 2657.45 ± 0.05 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No