Information card for entry 7218597

Structure parameters

• Formula: C60 H40 B Cl3 F2 N5 O4 S2
• Calculated formula: C60 H40 B Cl3 F2 N5 O4 S2
• Title of publication: Phenothiazine-azaBODIPY-fullerene supramolecules: syntheses, structural characterization, and photochemical studies.
• Authors of publication: Bandi, Venugopal; Gobeze, Habtom B.; Nesterov, Vladimir N.; Karr, Paul A.; D'Souza, Francis
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 25537 - 25547
• a: 7.9981 ± 0.0014 Å
• b: 15.012 ± 0.003 Å
• c: 22.533 ± 0.005 Å
• α: 108.53 ± 0.003°
• β: 99.724 ± 0.003°
• γ: 92.76 ± 0.002°
• Cell volume: 2513.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1497
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No