Information card for entry 7047262

Structure parameters

• Formula: C69 H57 Al F44 Mg N2 O4
• Calculated formula: C69 H57 Al F44 Mg N2 O4
• Title of publication: Coordination of arenes and phosphines by charge separated alkaline earth cations.
• Authors of publication: Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12684 - 12693
• a: 19.3502 ± 0.0003 Å
• b: 21.2981 ± 0.0003 Å
• c: 19.3981 ± 0.0004 Å
• α: 90°
• β: 102.027 ± 0.0016°
• γ: 90°
• Cell volume: 7818.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.1373
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No