Information card for entry 7000483

Structure parameters

• Formula: C40 H10 F24 N8
• Calculated formula: C40 H10 F24 N8
• Title of publication: Long-range solid-state ordering and high geometric distortions induced in phthalocyanines by small fluoroalkyl groups
• Authors of publication: Gorun, Sergiu M.; Rathke, Jerome W.; Chen, Michael J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1095 - 1097
• a: 15.2603 ± 0.0001 Å
• b: 15.2603 ± 0.0001 Å
• c: 16.395 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3818.01 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No