Information card for entry 2018125

Structure parameters

• Chemical name: Poly[bis(μ~3~-trimethylsilylmethanolato)tetrakis(μ~2~- trimethylsilylmethyl)dimagnesiumdisodium]
• Formula: C24 H66 Mg2 Na2 O2 Si6
• Calculated formula: C24 H66 Mg2 Na2 O2 Si6
• SMILES: [Na]12[CH2]([Si](C)(C)C)[Mg]34[O]1(C[Si](C)(C)C)[Mg]1([CH2]2[Si](C)(C)C)[O]3(C[Si](C)(C)C)[Na]([CH2]4[Si](C)(C)C)[CH2]1[Si](C)(C)C
• Title of publication: A new polymeric alkyl/alkoxide magnesium‒sodium inverse crown complex
• Authors of publication: Baillie, Sharon E.; Blair, Victoria L.; Hevia, Eva; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m249 - m251
• a: 9.8057 ± 0.0003 Å
• b: 18.1602 ± 0.0005 Å
• c: 11.8234 ± 0.0003 Å
• α: 90°
• β: 95.482 ± 0.003°
• γ: 90°
• Cell volume: 2095.8 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes