Information card for entry 7031478

Structure parameters

• Formula: C30 H76 Mg N4 Na2 Si4
• Calculated formula: C30 H76 Mg N4 Na2 Si4
• SMILES: [Mg]1([N]([C@H]2[C@H]([N]1(C)C)CCCC2)(C)C)(CCCC)CCCC.[Na]1[N]([Na][N]1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](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: 23.5623 ± 0.0005 Å
• b: 23.5623 ± 0.0005 Å
• c: 15.9256 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8841.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No