Information card for entry 4112160

Structure parameters

• Chemical name: 1,2-Bis(phenothiazin-10-ylmethyl)benzene dication bis(hexachloroantimonate) salt, dichloromethane hemysolvate
• Formula: C32.5 H25 Cl13 N2 S2 Sb2
• Calculated formula: C32.5 H25 Cl13 N2 S2 Sb2
• Title of publication: Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers
• Authors of publication: Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1388 - 1401
• a: 10.0687 ± 0.0005 Å
• b: 10.7149 ± 0.0005 Å
• c: 21.4747 ± 0.0011 Å
• α: 96.295 ± 0.001°
• β: 99.873 ± 0.001°
• γ: 98.062 ± 0.001°
• Cell volume: 2238.6 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1619
• Weighted residual factors for significantly intense reflections: 0.132
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No