Information card for entry 7201733

Structure parameters

• Common name: C20 H12 Ni1 S8
• Formula: C20 H12 Ni S8
• Calculated formula: C20 H12 Ni S8
• Title of publication: Nickel dithiolenes containing pendant thiophene units: precursors to dithiolene‒polythiophene hybrid materials
• Authors of publication: Anjos, Tania; Roberts-Bleming, Susan J.; Charlton, Adam; Robertson, Neil; Mount, Andrew R.; Coles, Simon J.; Hursthouse, Michael B.; Kalaji, Maher; Murphy, Patrick J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 475
• a: 12.112 ± 0.002 Å
• b: 5.4414 ± 0.0011 Å
• c: 17.026 ± 0.003 Å
• α: 90°
• β: 110.51 ± 0.03°
• γ: 90°
• Cell volume: 1051 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No