Information card for entry 7707658

Structure parameters

• Formula: C68 H79.5 F3.5 Mg N2 O
• Calculated formula: C68 H79.5 F3.5 Mg N2 O
• Title of publication: C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.
• Authors of publication: McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8685 - 8689
• a: 24.1012 ± 0.0014 Å
• b: 19.773 ± 0.0011 Å
• c: 26.1381 ± 0.0016 Å
• α: 90°
• β: 104.791 ± 0.006°
• γ: 90°
• Cell volume: 12043.4 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1364
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.3045
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No