Information card for entry 7204439

Structure parameters

• Formula: C42 H48 N1.5 Ni1.5 S12
• Calculated formula: C39 H48 N1.25 Ni1.25 S13.125
• 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: 14.522 ± 0.002 Å
• b: 19.507 ± 0.002 Å
• c: 8.667 ± 0.001 Å
• α: 101.18 ± 0.01°
• β: 98.39 ± 0.01°
• γ: 79.837 ± 0.009°
• Cell volume: 2354.9 ± 0.5 ų
• Cell temperature: 299.2 K
• Ambient diffraction temperature: 299.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections: 1.995
• Goodness-of-fit parameter for all reflections included in the refinement: 2.49
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No