Information card for entry 7034350

Structure parameters

• Formula: C44 H98 Li2 Mg2 N4
• Calculated formula: C44 H98 Li2 Mg2 N4
• SMILES: [Mg]12([CH2]([Li]3([N]([C@H]4[C@H]([N]3(C)C)CCCC4)(C)C)[CH2]1CCC)CCC)[CH2]([Mg]1([CH2]2CCC)[CH2]([Li]2([N]([C@@H]3CCCC[C@H]3[N]2(C)C)(C)C)[CH2]1CCC)CCC)CCC
• Title of publication: Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.
• Authors of publication: Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7258 - 7267
• a: 9.906 ± 0.0012 Å
• b: 14.551 ± 0.0013 Å
• c: 17.7804 ± 0.0017 Å
• α: 90°
• β: 96.405 ± 0.011°
• γ: 90°
• Cell volume: 2546.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No