Information card for entry 7113418

Structure parameters

• Formula: C41 H34 B F24 N3
• Calculated formula: C41 H34 B F24 N3
• Title of publication: Unexpected neutral aza-macrocycle complexes of sodium
• Authors of publication: Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5843
• a: 9.6774 ± 0.0013 Å
• b: 10.7714 ± 0.0014 Å
• c: 10.8244 ± 0.0014 Å
• α: 83.284 ± 0.006°
• β: 82.174 ± 0.006°
• γ: 82.924 ± 0.006°
• Cell volume: 1103.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No