Information card for entry 7003445

Structure parameters

• Formula: C56 H80 Mg2 N6 Na2
• Calculated formula: C56 H80 Mg2 N6 Na2
• SMILES: [Mg]1(C#Cc2ccccc2)(C#Cc2ccccc2)[N](C(C)C)(C(C)C)[Mg](C#Cc2ccccc2)(C#Cc2ccccc2)[N]1(C(C)C)C(C)C.[N](C)(C)(CC[N]1(C)C)[Na]1.[N](C)(C)(CC[N]1(C)C)[Na]1
• 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: 10.7683 ± 0.0005 Å
• b: 12.0499 ± 0.0006 Å
• c: 12.3553 ± 0.0006 Å
• α: 75.407 ± 0.002°
• β: 78.428 ± 0.002°
• γ: 65.633 ± 0.002°
• Cell volume: 1404.74 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No