Information card for entry 2235666

Structure parameters

• Chemical name: Phenazinium methyl sulfate
• Formula: C13 H12 N2 O4 S
• Calculated formula: C13 H12 N2 O4 S
• Title of publication: Phenazinium methyl sulfate
• Authors of publication: Zhang, Nai-Qiang; Li, Ping; Dong, Jian; Chen, Hong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2101
• a: 5.818 ± 0.005 Å
• b: 9.667 ± 0.005 Å
• c: 11.46 ± 0.005 Å
• α: 95.241 ± 0.005°
• β: 90.336 ± 0.005°
• γ: 93.691 ± 0.005°
• Cell volume: 640.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes