Information card for entry 7114753

Structure parameters

• Chemical name: 1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene bis(hexafluoroacetylacetonato)zinc(II) complex
• Formula: C35 H18 F18 N2 O4 S2 Zn
• Calculated formula: C35 H18 F18 N2 O4 S2 Zn
• Title of publication: Single-crystalline photochromism of a linear coordination polymer composed of 1,2-bis[2-methyl-5-(4-pyridyl)-3-thienyl]perfluorocyclopentene and bis(hexafluoroacetylacetonato)zinc(ii)
• Authors of publication: Matsuda, Kenji; Takayama, Kohsuke; Irie, Masahiro
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 363
• a: 12.3592 ± 0.0009 Å
• b: 18.3531 ± 0.0014 Å
• c: 17.9411 ± 0.0013 Å
• α: 90°
• β: 109.478 ± 0.001°
• γ: 90°
• Cell volume: 3836.7 ± 0.5 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No