Information card for entry 4331189

Structure parameters

• Common name: TTF4pom3
• Formula: C26 H24 Cl4 Mo11 N0 O42 S17 V
• Calculated formula: C26 H24 Cl4 Mo11 O42 S17 V
• Title of publication: Spontaneous Redox Synthesis of the Charge Transfer Material TTF4[SVMo11O40]
• Authors of publication: Qi Li; Jinzhen Lu; John F. Boas; Daouda A. K. Traore; Matthew C. J. Wilce; Fuzhi Huang; Lisandra L. Martin; Tadaharu Ueda; Alan M. Bond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12929 - 12937
• a: 21.699 ± 0.004 Å
• b: 13.883 ± 0.003 Å
• c: 23.12 ± 0.005 Å
• α: 90°
• β: 97.98 ± 0.03°
• γ: 90°
• Cell volume: 6897 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7292 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No