Information card for entry 4310083

Structure parameters

• Formula: C38 H40 N2 Ni O4 S16
• Calculated formula: C38 H40 N2 Ni O4 S16
• Title of publication: Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate
• Authors of publication: Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8740 - 8748
• a: 9.883 ± 0.005 Å
• b: 23.837 ± 0.005 Å
• c: 12.395 ± 0.005 Å
• α: 90°
• β: 94.22 ± 0.005°
• γ: 90°
• Cell volume: 2912 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No