Information card for entry 4000435

Structure parameters

• Common name: (9) Zn(DBP)(Et)(py)2
• Formula: C26 H36 N2 O Zn
• Calculated formula: C26 H36 N2 O Zn
• SMILES: CC[Zn]([n]1ccccc1)([n]1ccccc1)Oc1c(cccc1C(C)(C)C)C(C)(C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 11.177 ± 0.004 Å
• b: 21.96 ± 0.007 Å
• c: 20.531 ± 0.007 Å
• α: 90°
• β: 99.108 ± 0.005°
• γ: 90°
• Cell volume: 4976 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1365
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No