Information card for entry 7101857

Structure parameters

• Formula: C104 H82 Mg2 N8 Na2
• Calculated formula: C104 H82 Mg2 N8 Na2
• SMILES: [Mg]1([N]([Na]2[NH]=C(c3ccccc3)c3ccccc3)=C(c3ccccc3)c3ccccc3)([N]([Na]3[NH]=C(c4ccccc4)c4ccccc4)=C(c4ccccc4)c4ccccc4)[N](=C(c4ccccc4)c4ccccc4)[Mg]([N]2=C(c2ccccc2)c2ccccc2)([N]3=C(c2ccccc2)c2ccccc2)[N]1=C(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: 12.9334 ± 0.0003 Å
• b: 13.9081 ± 0.0004 Å
• c: 14.194 ± 0.0004 Å
• α: 65.832 ± 0.001°
• β: 85.235 ± 0.002°
• γ: 65.586 ± 0.001°
• Cell volume: 2109.69 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No