Information card for entry 7038504

Structure parameters

• Formula: C9 H23 Cl2 Mg N3
• Calculated formula: C9 H23 Cl2 Mg N3
• SMILES: [Mg]12(Cl)(Cl)[N](C)(C)CC[N]1(C)CC[N]2(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: 8.3278 ± 0.0004 Å
• b: 29.5439 ± 0.0014 Å
• c: 11.9786 ± 0.0005 Å
• α: 90°
• β: 101.773 ± 0.005°
• γ: 90°
• Cell volume: 2885.2 ± 0.2 ų
• Cell temperature: 123.3 K
• Ambient diffraction temperature: 123.3 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No