Information card for entry 2213808

Structure parameters

• Chemical name: Triaqua(5-formyl-<i>N</i>-salicylidene-D,L-alaninato-<i>κ</i>^3^<i>N</i>,\ <i>O</i>,<i>O</i>')nickel(II) monohydrate
• Formula: C11 H17 N Ni O8
• Calculated formula: C11 H17 N Ni O8
• Title of publication: Triaqua(5-formyl-<i>N</i>-salicylidene-<small>D</small><small>L</small>-alaninato-<i>{κ</i>}^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) monohydrate
• Authors of publication: Cai, Jin-Hua; Li, Jia-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1715 - m1716
• a: 6.861 ± 0.002 Å
• b: 8.664 ± 0.002 Å
• c: 12.363 ± 0.003 Å
• α: 82.967 ± 0.003°
• β: 80.639 ± 0.003°
• γ: 77.706 ± 0.003°
• Cell volume: 705.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes