Information card for entry 7204438

Structure parameters

• Formula: C32 H36 N Ni S6
• Calculated formula: C30 H34 N Ni0.5 S6.75
• Title of publication: Thiophene-substituted nickel dithiolene complexes. Precursors for low band gap conjugated metallopolymers
• Authors of publication: Kean, Christopher L.; Miller, David O.; Pickup, Peter G.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2949
• a: 28.856 ± 0.004 Å
• b: 7.518 ± 0.003 Å
• c: 16.377 ± 0.005 Å
• α: 90°
• β: 106.73 ± 0.02°
• γ: 90°
• Cell volume: 3402.4 ± 1.8 ų
• Cell temperature: 299.2 K
• Ambient diffraction temperature: 299.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2242
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections: 2.274
• Goodness-of-fit parameter for all reflections included in the refinement: 3.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No