Information card for entry 7035478

Structure parameters

• Formula: C44 H42 B F24 Li N4 O
• Calculated formula: C44 H40 B F24 Li N4 O
• Title of publication: Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study.
• Authors of publication: Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13853 - 13866
• a: 12.729 ± 0.002 Å
• b: 12.7358 ± 0.0017 Å
• c: 18.368 ± 0.004 Å
• α: 79 ± 0.01°
• β: 89.445 ± 0.011°
• γ: 63.418 ± 0.007°
• Cell volume: 2604.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2832
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No