Information card for entry 7062104

Structure parameters

• Formula: C47.5 H46.5 N6.5 O4 Zn
• Calculated formula: C47.5 H46.5 N6.5 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: 7.66 ± 0.0002 Å
• b: 14.7528 ± 0.0005 Å
• c: 18.89 ± 0.0006 Å
• α: 91.319 ± 0.003°
• β: 97.791 ± 0.002°
• γ: 97.798 ± 0.002°
• Cell volume: 2093.56 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0442
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No