Information card for entry 1508057

Structure parameters

• Formula: C52 H108 Mg2 N8 Na2
• Calculated formula: C52 H108 Mg2 N8 Na2
• SMILES: [Mg]1(N2C(CCCC2(C)C)(C)C)[N]2(C(CCCC2(C)C)(C)C)[Na]23([N](C)(C)CC[N]2(C)C)[CH]1=[CH]3[CH]1=[CH]2[Mg](N3C(CCCC3(C)C)(C)C)[N]3([Na]124[N](C)(C)CC[N]4(C)C)C(CCCC3(C)C)(C)C
• Title of publication: Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran.
• Authors of publication: Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 588 - 591
• a: 8.2736 ± 0.0003 Å
• b: 21.4955 ± 0.0008 Å
• c: 16.5688 ± 0.0006 Å
• α: 90°
• β: 90.708 ± 0.004°
• γ: 90°
• Cell volume: 2946.46 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No