Information card for entry 2206860

Structure parameters

• Chemical name: Di-μ-azido-κ^4^N:N-bis{aqua[2-(2-pyridylmethylideneamino)ethanesulfonate- κ^3^N,N',O]nickel(II)} dihydrate
• Formula: C16 H26 N10 Ni2 O10 S2
• Calculated formula: C16 H26 N10 Ni2 O10 S2
• SMILES: [Ni]123([OH2])([n]4ccccc4C=[N]1CCS(=O)(=O)O3)[N](=N#N)[Ni]13([n]4ccccc4C=[N]1CCS(=O)(=O)O3)([N]2=N#N)[OH2].O.O
• Title of publication: Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[2-(2-pyridylmethylideneamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II)} dihydrate
• Authors of publication: Jia-Ming Li; Yi-Min Jiang; Yan-Fei Wang; Da-Wen Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2160 - m2162
• a: 15.6693 ± 0.0017 Å
• b: 10.4272 ± 0.0008 Å
• c: 17.1803 ± 0.0015 Å
• α: 90°
• β: 110.503 ± 0.003°
• γ: 90°
• Cell volume: 2629.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes