Information card for entry 4328469

Structure parameters

• Formula: C135 H158 Cl18 N16 Ti2
• Calculated formula: C135 H158 Cl18 N16 Ti2
• 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: 28.953 ± 0.004 Å
• b: 28.953 ± 0.004 Å
• c: 28.953 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24271 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No