Information card for entry 7038502

Structure parameters

• Formula: C33 H74 Al Cl8 Mg3 N7 Si
• Calculated formula: C33 H74 Al Cl8 Mg3 N7 Si
• SMILES: [Al](Cl)(Cl)(Cl)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C.[Mg]1234([Cl][Mg]567([Cl][Mg]8([Cl]27)([Cl]35)([Cl]4)[N](C)(CC[N]8(C)C)C)[N](CC[N]6(C)C)(C)C)[N](C)(CC[N]1(C)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: 19.692 ± 0.002 Å
• b: 16.2309 ± 0.0012 Å
• c: 16.9709 ± 0.0015 Å
• α: 90°
• β: 107.61 ± 0.011°
• γ: 90°
• Cell volume: 5170 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No