Information card for entry 2228482

Structure parameters

• Chemical name: Bis(μ-2,2'-disulfanediyldibenzoato)bis[aqua(2,2'-bipyridine)nickel(II)]
• Formula: C48 H36 N4 Ni2 O10 S4
• Calculated formula: C48 H36 N4 Ni2 O10 S4
• SMILES: c12ccccc1SSc1c(cccc1)C(=O)O[Ni]13([n]4ccccc4c4[n]1cccc4)[O]=C(c1c(SSc4c(cccc4)C(=O)O[Ni]45([n]6ccccc6c6[n]4cccc6)[O]=C2O5)cccc1)O3.O.O
• Title of publication: Bis(μ-2,2'-disulfanediyldibenzoato)bis[aqua(2,2'-bipyridine)nickel(II)]
• Authors of publication: Liu, Zhengming; Qu, Botao; Yu, Jianghua; Yuan, Limin; Liu, Wenlong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1563
• a: 13.498 ± 0.004 Å
• b: 16.769 ± 0.005 Å
• c: 10.238 ± 0.003 Å
• α: 90°
• β: 93.196 ± 0.004°
• γ: 90°
• Cell volume: 2313.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes