Information card for entry 8102263

Structure parameters

• Chemical name: [N,N'-(bis(2-phenoxyacetic)formylidene)propane-1,3-diamine-zinc(II)] hydrate 0.25ethanol
• Formula: C21.5 H23.5 N2 O7.25 Zn
• Calculated formula: C21.5 H23.5 N2 O7.25 Zn
• Title of publication: Crystal structure of [N,N'-(bis(2-phenoxyacetic)formylidene)propane-1,3-diaminezinc(II)] - water - ethanol (1:1:0.25), [Zn(C21H20N2O6)] · H2O · 0.25C2H6O
• Authors of publication: Zhan-Liang Wang; Dong-Sheng Zhu; Rong-Shun Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 215
• a: 10.0416 ± 0.0016 Å
• b: 16.681 ± 0.003 Å
• c: 14.979 ± 0.002 Å
• α: 90°
• β: 100.096 ± 0.002°
• γ: 90°
• Cell volume: 2470.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No