Information card for entry 7117470

Structure parameters

• Formula: C69.8 H27.6 Al2 Cl3.61 F72 N2 O8 S2
• Calculated formula: C69.804 H27.608 Al2 Cl3.608 F72 N2 O8 S2
• Title of publication: Bis(phenothiazine)arene diradicaloids: isolation, characterization and crystal structures
• Authors of publication: Xingyong Wang; Zaichao Zhang; You Song; Yuanting Su; Xinping Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11822
• a: 13.604 ± 0.003 Å
• b: 20.135 ± 0.005 Å
• c: 16.634 ± 0.004 Å
• α: 90°
• β: 93.113 ± 0.004°
• γ: 90°
• Cell volume: 4549.6 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.1709
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.405
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No