Information card for entry 7034351

Structure parameters

• Formula: C36 H86 Li2 Mg2 N4 O2
• Calculated formula: C36 H86 Li2 Mg2 N4 O2
• SMILES: C1C[N](C)([Li]([N]1(C)C)[CH2](CCC)[Mg]1([O]([Mg](CCCC)([CH2](CCC)[Li]2[N](CC[N]2(C)C)(C)C)[O]1CCCC)CCCC)CCCC)C
• 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: 10.0718 ± 0.0002 Å
• b: 13.5833 ± 0.0002 Å
• c: 16.9469 ± 0.0003 Å
• α: 90°
• β: 95.751 ± 0.002°
• γ: 90°
• Cell volume: 2306.81 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No