Information card for entry 7206587

Structure parameters

• Formula: C30 H34 N2 Ni S4
• Calculated formula: C30 H34 N2 Ni S4
• SMILES: C1(=C(S[Ni]2(S1)SC(=C(S2)c1cc2c(cc1)n(C)cc2)CCCC)c1cc2c(cc1)n(C)cc2)CCCC
• Title of publication: Indole-substituted nickel dithiolene complexes in electronic and optoelectronic devices
• Authors of publication: Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 39
• Pages of publication: 15422
• a: 4.3101 ± 0.00013 Å
• b: 15.691 ± 0.0004 Å
• c: 21.4795 ± 0.0007 Å
• α: 90°
• β: 91.526 ± 0.003°
• γ: 90°
• Cell volume: 1452.14 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0592
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No