Information card for entry 4085380

Structure parameters

• Formula: C44 H78 Li2 Mg O5 Si2
• Calculated formula: C44 H78 Li2 Mg O5 Si2
• 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: 11.1354 ± 0.0003 Å
• b: 12.7861 ± 0.0003 Å
• c: 17.7097 ± 0.0006 Å
• α: 91.832 ± 0.002°
• β: 98.917 ± 0.003°
• γ: 105.629 ± 0.002°
• Cell volume: 2391.69 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No