Information card for entry 4329409

Structure parameters

• Common name: N-Phenyl-N-methyl-amino-boronsubphthalocyanine
• Formula: C31 H20.1 B N7 O0.05
• Calculated formula: C31 H20.1 B N7 O0.05
• Title of publication: Aluminum Chloride Activation of Chloro-Boronsubphthalocyanine: a Rapid and Flexible Method for Axial Functionalization with an Expanded Set of Nucleophiles
• Authors of publication: Graham E. Morse; Timothy P. Bender
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6460 - 6467
• a: 11.512 ± 0.0003 Å
• b: 11.7673 ± 0.0003 Å
• c: 19.3022 ± 0.0005 Å
• α: 72.903 ± 0.0014°
• β: 81.881 ± 0.0012°
• γ: 75.851 ± 0.0013°
• Cell volume: 2416.61 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No