Information card for entry 7712355

Structure parameters

• Formula: C74 H64 F12 Fe2 N14 O13 S4
• Calculated formula: C74 H64 F12 Fe2 N14 O13 S4
• Title of publication: Synthesis, photophysical characterization, and aerobic redox reactivity of electron-rich tellurorhodamine photocatalysts.
• Authors of publication: Rettig, Irving D.; Halvorsen, Kristine M.; McCormick, Theresa M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 3990 - 4001
• a: 20.555 ± 0.003 Å
• b: 12.9833 ± 0.0017 Å
• c: 14.98 ± 0.002 Å
• α: 90°
• β: 98.432 ± 0.002°
• γ: 90°
• Cell volume: 3954.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No