Information card for entry 7220973

Structure parameters

• Formula: C97 H61 Cl16 N9 O11 Zn
• Calculated formula: C97 H61 Cl16 N9 O11 Zn
• Title of publication: Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines
• Authors of publication: Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.782 ± 0.0004 Å
• b: 21.4253 ± 0.0004 Å
• c: 15.3447 ± 0.0011 Å
• α: 90°
• β: 90.858 ± 0.007°
• γ: 90°
• Cell volume: 4859.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No