Information card for entry 8106393

Structure parameters

• Formula: C17 H22 N2 O5 Zn
• Calculated formula: C17 H22 N2 O5 Zn
• Title of publication: Crystal structure of poly[(μ4-5-tert-butylisophthalato-κ4 O:O′:O′′:O′′′)-(1,3-dimethyl-2-imidazolidinone-κO)zinc(II)] C17H22N2O5Zn
• Authors of publication: Xin-Hong, Chang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 1043 - 1045
• a: 12.577 ± 0.003 Å
• b: 10.932 ± 0.002 Å
• c: 14.726 ± 0.003 Å
• α: 90°
• β: 107.145 ± 0.002°
• γ: 90°
• Cell volume: 1934.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No