Information card for entry 7031477

Structure parameters

• Formula: C26 H70 Mg N4 Na2 Si4
• Calculated formula: C26 H70 Mg N4 Na2 Si4
• SMILES: C1[N](C)(C)[Mg](CCCC)(CCCC)[N](C1)(C)C.[N]1([Si](C)(C)C)([Si](C)(C)C)[Na][N]([Si](C)(C)C)([Si](C)(C)C)[Na]1
• Title of publication: Complexity in seemingly simple sodium magnesiate systems.
• Authors of publication: Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14424 - 14431
• a: 9.2182 ± 0.0002 Å
• b: 22.7925 ± 0.0006 Å
• c: 19.7071 ± 0.0005 Å
• α: 90°
• β: 93.215 ± 0.002°
• γ: 90°
• Cell volume: 4134.06 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No