Information card for entry 7131355

Structure parameters

• Formula: C48 H83 Mg N3 Na2 Si3
• Calculated formula: C48 H83 Mg N3 Na2 Si3
• Title of publication: Cooperative dihydrogen activation at a Na(I)₂/Mg(I)₂ ensemble.
• Authors of publication: Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.; Morrison, Benjamin L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 26
• Pages of publication: 3846 - 3849
• a: 10.4759 ± 0.0003 Å
• b: 12.0459 ± 0.0004 Å
• c: 23.1083 ± 0.0008 Å
• α: 76.271 ± 0.003°
• β: 78.238 ± 0.003°
• γ: 69.189 ± 0.003°
• Cell volume: 2624.9 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No