Information card for entry 7038503

Structure parameters

• Formula: C45 H86 Al Cl8 Mg3 N O6 Si
• Calculated formula: C45 H86 Al Cl8 Mg3 N O6 Si
• 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: 13.326 ± 0.0003 Å
• b: 14.1674 ± 0.0003 Å
• c: 32.6193 ± 0.0008 Å
• α: 90°
• β: 95.436 ± 0.002°
• γ: 90°
• Cell volume: 6130.7 ± 0.2 ų
• Cell temperature: 123.3 K
• Ambient diffraction temperature: 123.3 K
• Number of distinct elements: 8
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No