Information card for entry 4328468

Structure parameters

• Formula: C64 H72 N8 O Ti
• Calculated formula: C64 H72 N8 O Ti
• Title of publication: Axial Functionalization of Sterically Hindered Titanium Phthalocyanines
• Authors of publication: Elisabeth Seikel; Benjamin Oelkers; Jörg Sundermeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2709 - 2717
• a: 16.1229 ± 0.0011 Å
• b: 18.8559 ± 0.0012 Å
• c: 12.8543 ± 0.001 Å
• α: 90°
• β: 123.511 ± 0.005°
• γ: 90°
• Cell volume: 3258.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No