Information card for entry 2005875

Structure parameters

• Chemical name: Aquabis(salicyaldoximato)zinc
• Formula: C14 H14 N2 O5 Zn
• Calculated formula: C14 H14 N2 O5 Zn
• SMILES: [Zn]12([N](O)=Cc3c(O1)cccc3)([OH2])[N](O)=Cc1c(O2)cccc1
• Title of publication: Aquabis(salicylaldoximato)zinc
• Authors of publication: Potočňák, I.; Heinemann, F. W.; Rausch, M.; Steinborn, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 54 - 56
• a: 30.136 ± 0.009 Å
• b: 6.902 ± 0.002 Å
• c: 16.92 ± 0.006 Å
• α: 90°
• β: 120.23 ± 0.02°
• γ: 90°
• Cell volume: 3040.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1746
• Weighted residual factors for significantly intense reflections: 0.1342
• Goodness-of-fit parameter for all reflections: 1.171
• Goodness-of-fit parameter for significantly intense reflections: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes