Information card for entry 7712356

Structure parameters

• Formula: C66 H52 F12 Fe2 N10 O13 S4
• Calculated formula: C62 H42 F12 Fe2 N10 O12 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: 14.191 ± 0.003 Å
• b: 12.9 ± 0.003 Å
• c: 19.623 ± 0.004 Å
• α: 90°
• β: 98.6 ± 0.03°
• γ: 90°
• Cell volume: 3551.9 ± 1.4 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: 0.1238
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No