Information card for entry 7031476

Structure parameters

• Formula: C28 H77 Mg N6 Na Si4
• Calculated formula: C28 H77 Mg N6 Na Si4
• SMILES: C(CCC)[Mg]([N]([Si](C)(C)C)[Si](C)(C)C)[N]([Si](C)(C)C)[Si](C)(C)C.[N]1(C)(C)CC[N](C)([Na]21[N](C)(C)CC[N]2(C)C)C
• 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: 39.1203 ± 0.0011 Å
• b: 8.7705 ± 0.0003 Å
• c: 25.6241 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8791.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No