Information card for entry 4328471

Structure parameters

• Formula: C239 H282 N24
• Calculated formula: C239 H281.999 N24
• 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: 32.4964 ± 0.0018 Å
• b: 32.4964 ± 0.0018 Å
• c: 16.3282 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14932.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.3209
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No