Information card for entry 4310452

Structure parameters

• Chemical name: 1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene bis(hexafluoroacetylacetonato)copper(II) complex
• Formula: C35 H18 Cu F18 N2 O4 S2
• Calculated formula: C35 H18 Cu F18 N2 O4 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: 11.436 ± 0.004 Å
• b: 10.719 ± 0.003 Å
• c: 17.046 ± 0.005 Å
• α: 90°
• β: 104.726 ± 0.005°
• γ: 90°
• Cell volume: 2020.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No