Information card for entry 2211331

Structure parameters

• Chemical name: trans-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate
• Formula: C30 H30 Co N2 O5
• Calculated formula: C30 H30 Co N2 O5
• SMILES: c12ccccc2O[Co]2([N](=Cc3c(O2)cccc3)CCc2ccc(O)cc2)[N](=C1)CCc1ccc(O)cc1.O
• Title of publication: <i>trans</i>-Bis{2-[(4-oxidobenzylideneamino)methyl]phenolato}cobalt(II) monohydrate
• Authors of publication: Liu, Zhao-Di
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3203 - m3204
• a: 15.402 ± 0.003 Å
• b: 11.022 ± 0.002 Å
• c: 15.585 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2645.7 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes