Information card for entry 4305825

Structure parameters

• Formula: C77.5 H53 B N11 O2 Zn
• Calculated formula: C77.5 H53 B N11 O2 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: 14.291 ± 0.0018 Å
• b: 14.3597 ± 0.0018 Å
• c: 19.097 ± 0.002 Å
• α: 70.607 ± 0.002°
• β: 83.747 ± 0.003°
• γ: 63.055 ± 0.002°
• Cell volume: 3291.3 ± 0.7 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: 0.07
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No