Information card for entry 2216416

Structure parameters

• Chemical name: Aqua(dimethylglyoxime-κ^2^N,N')(3,5-dinitro-2-oxidobenzoato- κ^2^O,O')nickel(II)
• Formula: C11 H12 N4 Ni O10
• Calculated formula: C11 H12 N4 Ni O10
• SMILES: c1(cc2c(c(c1)N(=O)=O)O[Ni]1([N](=C(C(C)=[N]1O)C)O)(OC2=O)[OH2])N(=O)=O
• Title of publication: Aqua(dimethylglyoxime-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitro-2-oxidobenzoato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Liu, Yin-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3002 - m3002
• a: 12.476 ± 0.002 Å
• b: 7.0786 ± 0.0014 Å
• c: 17.929 ± 0.004 Å
• α: 90°
• β: 103.014 ± 0.003°
• γ: 90°
• Cell volume: 1542.7 ± 0.5 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: 0.0312
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes