Information card for entry 7047263

Structure parameters

• Formula: C58 H66 Al Ca F36 N2 O7.25
• Calculated formula: C57 H64 Al Ca F36 N2 O7
• 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: 12.7913 ± 0.0003 Å
• b: 15.0553 ± 0.0003 Å
• c: 20.0086 ± 0.0004 Å
• α: 73.743 ± 0.002°
• β: 72.551 ± 0.002°
• γ: 88.127 ± 0.002°
• Cell volume: 3523.38 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No