Information card for entry 7003913

Structure parameters

• Formula: C60 H92 N2 Ni S10
• Calculated formula: C60 H92 N2 Ni 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: 8.709 ± 0.0007 Å
• b: 21.2066 ± 0.0016 Å
• c: 17.7517 ± 0.0013 Å
• α: 90°
• β: 103.521 ± 0.002°
• γ: 90°
• Cell volume: 3187.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.6868 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No