Information card for entry 7003444

Structure parameters

• Formula: C40 H66 Li2 Mg2 N4
• Calculated formula: C40 H66 Li2 Mg2 N4
• SMILES: [Li]12[N](C(C)C)(C(C)C)[Mg]34[N](C(C)C)(C(C)C)[Li]5[C]3(#Cc1ccccc1)[Mg]([C]14#Cc1ccccc1)([N]5(C(C)C)C(C)C)[N]2(C(C)C)C(C)C
• Title of publication: Synthesis and characterisation of new bimetallic alkali metal‒magnesium mixed diisopropylamide-acetylides: structural variations in bimetallic lithium- and sodium-heteroleptic magnesiates
• Authors of publication: García-Álvarez, Joaquín; Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1481 - 1486
• a: 10.5591 ± 0.0003 Å
• b: 20.3606 ± 0.0006 Å
• c: 19.3002 ± 0.0005 Å
• α: 90°
• β: 90.8884 ± 0.0016°
• γ: 90°
• Cell volume: 4148.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No