Information card for entry 4311176

Structure parameters

• Formula: C52 H34 Cl2 F12 N2 S4 Zn
• Calculated formula: C52 H34 Cl2 F12 N2 S4 Zn
• Title of publication: Photochromism of Metal Complexes Composed of Diarylethene Ligands and ZnCl2
• Authors of publication: Kenji Matsuda; Yoshihiro Shinkai; Masahiro Irie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3774 - 3776
• a: 15.865 ± 0.003 Å
• b: 15.734 ± 0.003 Å
• c: 40.755 ± 0.007 Å
• α: 90°
• β: 92.113 ± 0.005°
• γ: 90°
• Cell volume: 10166 ± 3 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.2001
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No