Information card for entry 4337688

Structure parameters

• Formula: C48 H52 Cl2 Mn N8 O6 S12
• Calculated formula: C48 H40 Cl2 Mn N8 O6 S12
• Title of publication: Role of the coordination center in photocurrent behavior of a tetrathiafulvalene and metal complex dyad.
• Authors of publication: Sun, Yong-Gang; Ji, Shu-Fang; Huo, Peng; Yin, Jing-Xue; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3078 - 3087
• a: 17.167 ± 0.003 Å
• b: 8.5626 ± 0.0011 Å
• c: 19.717 ± 0.003 Å
• α: 90°
• β: 93.173 ± 0.004°
• γ: 90°
• Cell volume: 2893.8 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No