Information card for entry 7003912

Structure parameters

• Formula: C60 H42 Au N P2 S10
• Calculated formula: C60 H42 Au N P2 S10
• Title of publication: Novel dithiolene complexes incorporating conjugated electroactive ligands
• Authors of publication: Skabara, Peter J.; Pozo-Gonzalo, Cristina; Lardiés Miazza, Nora; Laguna, Mariano; Cerrada, Elena; Luquin, Asun; González, Blanca; Coles, Simon J.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 23
• Pages of publication: 3070 - 3079
• a: 14.2162 ± 0.0001 Å
• b: 14.6583 ± 0.0002 Å
• c: 15.0674 ± 0.0002 Å
• α: 76.383 ± 0.001°
• β: 80.037 ± 0.001°
• γ: 65.19 ± 0.001°
• Cell volume: 2760.1 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No