Information card for entry 4310455

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)zinc(II) complex
• Formula: C62 H36 F24 N2 O4 S4 Zn
• Calculated formula: C62 H36 F24 N2 O4 S4 Zn
• 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: 27.867 ± 0.006 Å
• b: 17.212 ± 0.004 Å
• c: 13.922 ± 0.003 Å
• α: 90°
• β: 90.732 ± 0.004°
• γ: 90°
• Cell volume: 6677 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1571
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No