Information card for entry 2227536

Structure parameters

• Chemical name: Aquadipyridinebis(<i>N</i>-<i>p</i>-tolysulfonyl-L-leucinato)nickel(II)
• Formula: C36 H48 N4 Ni O9 S2
• Calculated formula: C36 H48 N4 Ni O9 S2
• SMILES: [Ni]1([n]2ccccc2)([n]2ccccc2)([O]=C(O1)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CC(C)C)(OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CC(C)C)[OH2]
• Title of publication: Aquadipyridinebis(<i>N</i>-<i>p</i>-tolysulfonyl-<small>L</small>-leucinato)nickel(II)
• Authors of publication: Tai, Xi-Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1346
• a: 18.1023 ± 0.0016 Å
• b: 19.5538 ± 0.0019 Å
• c: 22.956 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8125.7 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes