Information card for entry 7102608

Structure parameters

• Formula: C42 H60 B3 F6 N5 O
• Calculated formula: C42 H60 B3 F6 N5 O
• Title of publication: Octaethylporphyrin and expanded porphyrin complexes containing coordinated BF2 groups.
• Authors of publication: Köhler, Thomas; Hodgson, Michael C; Seidel, Daniel; Veauthier, Jacqueline M; Meyer, Sylvie; Lynch, Vincent; Boyd, Peter D W; Brothers, Penelope J; Sessler, Jonathan L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1060 - 1061
• a: 10.2302 ± 0.0003 Å
• b: 13.7883 ± 0.0005 Å
• c: 15.1221 ± 0.0006 Å
• α: 88.661 ± 0.002°
• β: 84.853 ± 0.002°
• γ: 79.504 ± 0.002°
• Cell volume: 2088.88 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No