Information card for entry 4310453

Structure parameters

• Chemical name: 1-(2-methyl-5-phenyl-3-thienyl)-2-(2-methyl-5-(4-pyridyl) -3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene bis(hexafluoroacetylacetonato)copper(II) complex
• Formula: C31 H18 Cu0.5 F12 N O2 S2
• Calculated formula: C31 H18 Cu0.5 F12 N O2 S2
• Title of publication: Photochromism of Metal Complexes Composed of Diarylethene Ligands and Zn(II), Mn(II), and Cu(II) Hexafluoroacetylacetonates
• Authors of publication: Kenji Matsuda; Kohsuke Takayama; Masahiro Irie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 482 - 489
• a: 8.9 ± 0.002 Å
• b: 10.774 ± 0.003 Å
• c: 17.648 ± 0.005 Å
• α: 86.483 ± 0.004°
• β: 75.633 ± 0.004°
• γ: 72.277 ± 0.004°
• Cell volume: 1561.3 ± 0.7 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No