Information card for entry 7035476

Structure parameters

• Formula: C50 H54 B F24 N6 Rb
• Calculated formula: C50 H54 B F24 N6 Rb
• 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: 10.3279 ± 0.001 Å
• b: 10.5938 ± 0.001 Å
• c: 25.779 ± 0.002 Å
• α: 81.581 ± 0.003°
• β: 83.317 ± 0.003°
• γ: 88.067 ± 0.003°
• Cell volume: 2770.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No