Information card for entry 7705389

Structure parameters

• Formula: C44 H78 N2 O8
• Calculated formula: C44 H78 N2 O8
• Title of publication: Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.
• Authors of publication: Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 13017 - 13028
• a: 9.669 ± 0.004 Å
• b: 10.306 ± 0.004 Å
• c: 11.284 ± 0.004 Å
• α: 77.298 ± 0.014°
• β: 83.866 ± 0.014°
• γ: 74.776 ± 0.014°
• Cell volume: 1057 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2628
• Residual factor for significantly intense reflections: 0.1739
• Weighted residual factors for significantly intense reflections: 0.4636
• Weighted residual factors for all reflections included in the refinement: 0.51
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No