Information card for entry 4305826

Structure parameters

• Formula: C80 H58 B N11 O3 Zn
• Calculated formula: C80 H50 B N11 O3 Zn
• Title of publication: Construction of Subphthalocyanine-Porphyrin and Subphthalocyanine-Phthalocyanine Heterodyads through Axial Coordination
• Authors of publication: Hu Xu; Dennis K. P. Ng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7921 - 7927
• a: 11.6308 ± 0.0016 Å
• b: 16.607 ± 0.002 Å
• c: 17.987 ± 0.003 Å
• α: 101.665 ± 0.003°
• β: 102.43 ± 0.003°
• γ: 95.959 ± 0.003°
• Cell volume: 3283.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0823
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No