Information card for entry 7133228

Structure parameters

• Formula: C66 H112 K2 Mg2 N4 O6 Si4
• Calculated formula: C66 H112 K2 Mg2 N4 O6 Si4
• Title of publication: Mixing and Matching N,N- and N,O-Chelates in Anionic Mg(I) Compounds: Synthesis and Reactivity with RN=C=NR and CO
• Authors of publication: O'Reilly, Andrea; Haynes, Matthew David; Turner, Zoe R.; McMullin, Claire L.; Harder, Sjoerd; O'Hare, Dermot; Fulton, J. Robin; Coles, Martyn P.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.9645 ± 0.0003 Å
• b: 15.9181 ± 0.0004 Å
• c: 23.3852 ± 0.0005 Å
• α: 70.892 ± 0.002°
• β: 89.038 ± 0.002°
• γ: 72.072 ± 0.003°
• Cell volume: 3653.33 ± 0.18 ų
• Cell temperature: 119.99 ± 0.16 K
• Ambient diffraction temperature: 119.99 ± 0.16 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: 0.0892
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No