Information card for entry 7101858

Structure parameters

• Formula: C86 H80 N6 Na2 Zn2
• Calculated formula: C86 H80 N6 Na2 Zn2
• SMILES: C(=[N]12[Zn]3([N]4(=C(c5ccccc5)c5ccccc5)[Zn]5([N](=C(c6ccccc6)c6ccccc6)([Na]14[NH]=C(c1ccccc1)c1ccccc1)[Na]2([N]35=C(c1ccccc1)c1ccccc1)[NH]=C(c1ccccc1)c1ccccc1)CCCC)CCCC)(c1ccccc1)c1ccccc1
• Title of publication: Structural variations in bimetallic sodium-magnesium and sodium-zinc ketimides, and a sodium-zinc alkide-alkoxide-amide: connections to ring-stacking, ring-laddering, and inverse crown concepts.
• Authors of publication: Clegg, William; Dale, Sophie H; Graham, David V; Harrington, Ross W; Hevia, Eva; Hogg, Lorna M; Kennedy, Alan R; Mulvey, Robert E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1641 - 1643
• a: 13.2031 ± 0.0012 Å
• b: 27.339 ± 0.003 Å
• c: 20.0914 ± 0.0018 Å
• α: 90°
• β: 92.909 ± 0.002°
• γ: 90°
• Cell volume: 7242.8 ± 1.1 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: 0.0881
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No