Information card for entry 7133227

Structure parameters

• Formula: C42 H68 K Mg N2 O3 Si2
• Calculated formula: C42 H68 K Mg N2 O3 Si2
• 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: 14.3212 ± 0.00019 Å
• b: 20.5716 ± 0.0002 Å
• c: 15.38509 ± 0.00018 Å
• α: 90°
• β: 94.3942 ± 0.0011°
• γ: 90°
• Cell volume: 4519.28 ± 0.09 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No