Information card for entry 4000439

Structure parameters

• Common name: (10b) Zn(DMP)2(MeIm)(py)
• Formula: C25 H29 N3 O2 Zn
• Calculated formula: C25 H29 N3 O2 Zn
• SMILES: Cn1cc[n](c1)[Zn]([n]1ccccc1)(Oc1c(C)cccc1C)Oc1c(C)cccc1C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 12.862 ± 0.002 Å
• b: 13.097 ± 0.003 Å
• c: 14.012 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2360.4 ± 0.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No