Information card for entry 4508531

Structure parameters

• Common name: β-naphthoxy-dodecafluorosubphthalocyanine
• Chemical name: (2-naphthoxy)(dodecafluorosubphthalocyaninato)boron
• Formula: C37 H10 B F12 N6 O
• Calculated formula: C37 H10 B F12 N6 O
• Title of publication: Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements
• Authors of publication: Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5368
• a: 11.5833 ± 0.0004 Å
• b: 12.7133 ± 0.0003 Å
• c: 41.9519 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6177.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No