Information card for entry 7707663

Structure parameters

• Formula: C58 H80 Mg N2 O2
• Calculated formula: C58 H80 Mg N2 O2
• 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: 11.477 ± 0.0003 Å
• b: 11.6476 ± 0.0003 Å
• c: 22.193 ± 0.0006 Å
• α: 102.158 ± 0.002°
• β: 93.494 ± 0.002°
• γ: 112.779 ± 0.003°
• Cell volume: 2640.38 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No