Information card for entry 4085381

Structure parameters

• Formula: C42 H70 Li2 Mg O4
• Calculated formula: C42 H70 Li2 Mg O4
• Title of publication: Structural Studies of (rac)-BIPHEN Organomagnesiates and Intermediates in the Halogen‒Metal Exchange of 2-Bromopyridine
• Authors of publication: Francos, Javier; Gros, Philippe C.; Kennedy, Alan R.; O’Hara, Charles T.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2550
• a: 11.7525 ± 0.0004 Å
• b: 17.2189 ± 0.0005 Å
• c: 21.5342 ± 0.0007 Å
• α: 90°
• β: 100.468 ± 0.003°
• γ: 90°
• Cell volume: 4285.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No