Information card for entry 7038501

Structure parameters

• Formula: C27 H56 Al Cl4 Mg N5 Si
• Calculated formula: C27 H56 Al Cl4 Mg N5 Si
• SMILES: [Al](Cl)(Cl)(Cl)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C.[Mg]123(Cl)[N](CC[N]1(C)C)(CC[N]2(C)C)CC[N]3(C)C
• Title of publication: Exposing elusive cationic magnesium-chloro aggregates in aluminate complexes through donor control.
• Authors of publication: Brouillet, Etienne V.; Kennedy, Alan R.; Koszinowski, Konrad; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5590 - 5597
• a: 17.4285 ± 0.0012 Å
• b: 13.218 ± 0.0007 Å
• c: 17.526 ± 0.0012 Å
• α: 90°
• β: 114.337 ± 0.008°
• γ: 90°
• Cell volume: 3678.7 ± 0.5 ų
• Cell temperature: 123.3 K
• Ambient diffraction temperature: 123.3 K
• Number of distinct elements: 7
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No