Information card for entry 7101688

Structure parameters

• Formula: C44 H90 N6 Na2 Zn2
• Calculated formula: C44 H90 N6 Na2 Zn2
• SMILES: c1(ccc(cc1)[Zn](C(C)(C)C)[N]1([Na]2[N](CC[N]2(C)C)(C)C)C(CCCC1(C)C)(C)C)[Zn](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: 8.3869 ± 0.0017 Å
• b: 21.158 ± 0.004 Å
• c: 14.333 ± 0.003 Å
• α: 90°
• β: 90.72 ± 0.03°
• γ: 90°
• Cell volume: 2543.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No