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 <i>N</i>,<i>N</i>- and <i>N</i>,<i>O</i>-chelates in anionic Mg(I) compounds: synthesis and reactivity with RNCNR and CO.
• Authors of publication: O'Reilly, Andrea; Haynes, Matthew D.; Turner, Zoë R; McMullin, Claire L.; Harder, Sjoerd; O'Hare, Dermot; Fulton, J. Robin; Coles, Martyn P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 56
• Pages of publication: 7204 - 7207
• 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