Information card for entry 7048119

Structure parameters

• Formula: C68 H108 N2 Ni O2.7 S10
• Calculated formula: C68 H108 N2 Ni O2.7 S10
• Title of publication: Broadband near-IR absorbing Au-dithiolene complexes bearing redox-active oligothiophene ligands.
• Authors of publication: Wright, Iain A.; Wilson, Claire; Coles, Simon J.; Skabara, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 107 - 116
• a: 12.2157 ± 0.0013 Å
• b: 14.6041 ± 0.0013 Å
• c: 21.186 ± 0.002 Å
• α: 76.076 ± 0.006°
• β: 76.307 ± 0.004°
• γ: 89.934 ± 0.007°
• Cell volume: 3558 ± 0.6 ų
• Cell temperature: 120 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: 0.3281
• Residual factor for significantly intense reflections: 0.1625
• Weighted residual factors for significantly intense reflections: 0.2712
• Weighted residual factors for all reflections included in the refinement: 0.3599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No