Information card for entry 7062101

Structure parameters

• Formula: C33 H39 N5 O4 Zn
• Calculated formula: C33 H39 N5 O4 Zn
• Title of publication: Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile
• Authors of publication: Podjed, Nina; Modec, Barbara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 48
• Pages of publication: 23225 - 23238
• a: 13.8766 ± 0.0005 Å
• b: 7.553 ± 0.0002 Å
• c: 14.5911 ± 0.0005 Å
• α: 90°
• β: 91.303 ± 0.003°
• γ: 90°
• Cell volume: 1528.9 ± 0.09 ų
• Cell temperature: 150.05 ± 0.1 K
• Ambient diffraction temperature: 150.05 ± 0.1 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: 0.0318
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No