Information card for entry 4349787

Structure parameters

• Formula: C72 H70 B11 Cl1.5 F2 N7 O Zn
• Calculated formula: C71.8 H65.6 B11 Cl1.6 F2 N7 O Zn
• Title of publication: Synthesis and photophysical properties of a porphyrin‒BODIPY dyad and a porphyrin‒o-carborane‒BODIPY triad
• Authors of publication: Berksun, Ekin; Nar, Ilgın; Atsay, Armağan; Özçeşmeci, İbrahim; Gelir, Ali; Hamuryudan, Esin
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 200
• a: 12.3211 ± 0.0012 Å
• b: 17.7113 ± 0.0018 Å
• c: 17.8335 ± 0.0018 Å
• α: 113.202 ± 0.002°
• β: 94.892 ± 0.003°
• γ: 105.237 ± 0.003°
• Cell volume: 3372 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.3036
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.3033
• Weighted residual factors for all reflections included in the refinement: 0.3856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No