Information card for entry 7706486

Structure parameters

• Formula: C29 H22 F5 Li N4
• Calculated formula: C29 H22 F5 Li N4
• Title of publication: Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.
• Authors of publication: van Rees, Karlotta; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1610 - 1613
• a: 10.0585 ± 0.0006 Å
• b: 13.2365 ± 0.0007 Å
• c: 22.1369 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2947.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0282
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0688
• 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