Information card for entry 7045481

Structure parameters

• Formula: C38 H35 B F2 N4
• Calculated formula: C38 H35 B F2 N4
• Title of publication: Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.
• Authors of publication: Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3388 - 3399
• a: 11.9721 ± 0.0011 Å
• b: 14.8594 ± 0.0013 Å
• c: 17.2769 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3073.5 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No