Information card for entry 4000434

Structure parameters

• Common name: (8a) Zn(DIP)(Et)(MeIm)2
• Formula: C22 H34 N4 O Zn
• Calculated formula: C22 H34 N4 O Zn
• SMILES: CC[Zn]([n]1ccn(c1)C)([n]1ccn(c1)C)Oc1c(cccc1C(C)C)C(C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 8.8842 ± 0.0014 Å
• b: 16.646 ± 0.003 Å
• c: 15.35 ± 0.002 Å
• α: 90°
• β: 96.162 ± 0.003°
• γ: 90°
• Cell volume: 2256.9 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No