Information card for entry 7101859

Structure parameters

• Formula: C34 H74 N4 Na2 O2 Zn2
• Calculated formula: C34 H74 N4 Na2 O2 Zn2
• SMILES: [Zn]1([O]23[Na]4([O]5([Zn]([N]64C(C)(C)CCCC6(C)C)C(C)(C)C)[Na]2([N](CC5)(C)C)[N]21C(C)(C)CCCC2(C)C)[N](CC3)(C)C)C(C)(C)C
• 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: 10.38 ± 0.002 Å
• b: 17.783 ± 0.003 Å
• c: 22.035 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4067.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No