Information card for entry 7133229

Structure parameters

• Formula: C138 H224 K4 Mg4 N12 O4 Si8
• Calculated formula: C138 H224 K4 Mg4 N12 O4 Si8
• 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: 16.3939 ± 0.0002 Å
• b: 21.2191 ± 0.0003 Å
• c: 21.8811 ± 0.0003 Å
• α: 81.3508 ± 0.0013°
• β: 89.9089 ± 0.0012°
• γ: 88.1901 ± 0.0013°
• Cell volume: 7521.29 ± 0.18 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0671
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No