Information card for entry 7101689

Structure parameters

• Formula: C54 H108 Mg2 N8 Na2
• Calculated formula: C54 H108 Mg2 N8 Na2
• SMILES: c1(ccc(cc1)[Mg](N1C(CCCC1(C)C)(C)C)[N]1([Na]2[N](CC[N]2(C)C)(C)C)C(CCCC1(C)C)(C)C)[Mg](N1C(CCCC1(C)C)(C)C)[N]1(C(CCCC1(C)C)(C)C)[Na]1[N](CC[N]1(C)C)(C)C
• Title of publication: Dizincation and dimagnesiation of benzene using alkali-metal-mediated metallation.
• Authors of publication: Armstrong, David R; Clegg, William; Dale, Sophie H; Graham, David V; Hevia, Eva; Hogg, Lorna M; Honeyman, Gordon W; Kennedy, Alan R; Mulvey, Robert E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 598 - 600
• a: 8.3042 ± 0.0003 Å
• b: 21.9621 ± 0.0008 Å
• c: 16.3052 ± 0.0006 Å
• α: 90°
• β: 91.458 ± 0.002°
• γ: 90°
• Cell volume: 2972.74 ± 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: 0.1944
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No