Information card for entry 7031475

Structure parameters

• Formula: C30 H83 Mg N7 Na Si6
• Calculated formula: C30 H83 Mg N7 Na Si6
• SMILES: C[Si](C)(C)N([Mg](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.[Na]12([N](C)(CC[N]1(C)C)C)[N](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: 11.8176 ± 0.001 Å
• b: 11.968 ± 0.0011 Å
• c: 18.4164 ± 0.0016 Å
• α: 94.913 ± 0.007°
• β: 99.478 ± 0.007°
• γ: 103.922 ± 0.008°
• Cell volume: 2472.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0927
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No