Information card for entry 4504280

Structure parameters

• Formula: C28 H32 N4 Ni2 O16 S2
• Calculated formula: C28 H32 N4 Ni2 O16 S2
• SMILES: c1(C2N[N]3=Cc4ccccc4[O]4[Ni]3([O]=2)([OH2])([OH2])[O]2c3c(C=[N]5[Ni]42([O]=C(N5)c2ccccc2S(=O)(=O)[O-])([OH2])[OH2])cccc3)ccccc1S(=O)(=O)[O-].O.O
• Title of publication: Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand
• Authors of publication: Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1337
• a: 7.4869 ± 0.0007 Å
• b: 9.9503 ± 0.0009 Å
• c: 12.2777 ± 0.0011 Å
• α: 70.241 ± 0.001°
• β: 76.782 ± 0.001°
• γ: 79.467 ± 0.001°
• Cell volume: 832.42 ± 0.13 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No