Information card for entry 7237888

Structure parameters

• Formula: C103 H56 Cl2 F30 N8 O12
• Calculated formula: C103 H56 Cl2 F30 N8 O12
• Title of publication: Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes
• Authors of publication: Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 8847
• a: 13.6508 ± 0.0015 Å
• b: 13.678 ± 0.001 Å
• c: 13.714 ± 0.0013 Å
• α: 80.163 ± 0.007°
• β: 74.923 ± 0.009°
• γ: 71.683 ± 0.008°
• Cell volume: 2336.1 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1199
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No