Information card for entry 4310456

Structure parameters

• Chemical name: closed ring isomer of 1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl) hexafluorocyclopentenebis(hexafluoroacetylacetonato)copper(II) complex
• Formula: C40 H19 Cu1.5 F24 N2 O6 S2
• Calculated formula: C40 H19 Cu1.5 F24 N2 O6 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: 10.546 ± 0.006 Å
• b: 20.176 ± 0.01 Å
• c: 23.434 ± 0.013 Å
• α: 90°
• β: 91.76 ± 0.02°
• γ: 90°
• Cell volume: 4984 ± 5 ų
• Cell temperature: 283 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3129
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.721
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No