Information card for entry 7035477

Structure parameters

• Formula: C50 H54 B F24 K N6
• Calculated formula: C50 H54 B F24 K N6
• 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: 43.534 ± 0.003 Å
• b: 12.7141 ± 0.0009 Å
• c: 21.2417 ± 0.0015 Å
• α: 90°
• β: 101.647 ± 0.01°
• γ: 90°
• Cell volume: 11515.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No