Information card for entry 7717967

Structure parameters

• Chemical name: Phenothiazine
• Formula: C28 H21 Fe N S
• Calculated formula: C28 H21 Fe N 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: 16.3068 ± 0.0004 Å
• b: 13.9523 ± 0.0002 Å
• c: 19.3646 ± 0.0005 Å
• α: 90°
• β: 104.722 ± 0.002°
• γ: 90°
• Cell volume: 4261.14 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1121
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No