Information card for entry 2235586

Structure parameters

• Chemical name: Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato- κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate
• Formula: C14 H24 N2 Ni O12
• Calculated formula: C14 H24 N2 Ni O12
• SMILES: [Ni]1([N](c2cc(cc(c2)C(=O)[O-])C(=O)[O-])=Cc2[n]1cccc2)([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato-κ^2^<i>N</i>,<i>N</i>'}nickel(II) tetrahydrate
• Authors of publication: Wang, Huan-Huan; Duan, Guang-He; Wang, Lin; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m964
• a: 10.998 ± 0.002 Å
• b: 7.4536 ± 0.0015 Å
• c: 12.271 ± 0.003 Å
• α: 90°
• β: 95.86 ± 0.03°
• γ: 90°
• Cell volume: 1000.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes