Information card for entry 7717969

Structure parameters

• Chemical name: paraphenothiazene
• Formula: C28 H21 Fe N O2 S
• Calculated formula: C28 H21 Fe N O2 S
• Title of publication: Design, synthesis, and redox properties of ferrocene-functionalized phenothiazine and phenothiazine sulfone isomers.
• Authors of publication: Tiwari, Nikhil Ji; Misra, Rajneesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4366 - 4379
• a: 14.5069 ± 0.0004 Å
• b: 11.4203 ± 0.0004 Å
• c: 13.8306 ± 0.0004 Å
• α: 90°
• β: 104.564 ± 0.003°
• γ: 90°
• Cell volume: 2217.73 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No