Information card for entry 2217432

Structure parameters

• Common name: Aquabis(<i>o</i>-vanillinato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Chemical name: aquabis(2-formyl-6-methoxyphenolato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Formula: C16 H16 Ni O7
• Calculated formula: C16 H16 Ni O7
• SMILES: [Ni]12([O]=Cc3c(c(OC)ccc3)O1)([O]=Cc1c(c(OC)ccc1)O2)[OH2]
• Title of publication: Aquabis(<i>o</i>-vanillinato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Qiang Wang; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m298 - m298
• a: 9.4569 ± 0.0014 Å
• b: 15.832 ± 0.0019 Å
• c: 11.1372 ± 0.0018 Å
• α: 90°
• β: 97.729 ± 0.002°
• γ: 90°
• Cell volume: 1652.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1378
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes