Information card for entry 7049722

Structure parameters

• Formula: C32 H72 Mg N8 Na2
• Calculated formula: C32 H72 Mg N8 Na2
• SMILES: C1CCCC[N]21[Na]1([N]3(CCCCC3)[Mg]32[N]2(CCCCC2)[Na]2([N](CC[N]2(C)C)(C)C)[N]23CCCCC2)[N](C)(C)CC[N]1(C)C
• Title of publication: Alkali metal and stoichiometric effects in intermolecular hydroamination catalysed by lithium, sodium and potassium magnesiates.
• Authors of publication: Davin, Laia; Hernán-Gómez, Alberto; McLaughlin, Calum; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8122 - 8130
• a: 10.476 ± 0.0014 Å
• b: 19.224 ± 0.002 Å
• c: 19.864 ± 0.002 Å
• α: 90°
• β: 93.733 ± 0.01°
• γ: 90°
• Cell volume: 3991.9 ± 0.8 ų
• Cell temperature: 123.6 K
• Ambient diffraction temperature: 123.6 K
• Number of distinct elements: 5
• 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: 0.1366
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No