Information card for entry 2234264

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){(<i>E</i>)-[(5-chloro-2- oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methanesulfonato-κ<i>O</i>}zinc
• Formula: C18 H16 Cl N3 O5 S Zn
• Calculated formula: C18 H16 Cl N3 O5 S Zn
• SMILES: [Zn]123([n]4ccccc4c4cccc[n]14)([N](=Cc1c(ccc(c1)Cl)O3)CS(O2)(=O)=O)[OH2]
• Title of publication: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'){(<i>E</i>)-[(5-chloro-2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methanesulfonato-κ<i>O</i>}zinc
• Authors of publication: Deng, Yi-Fang; Nie, Xue; Zhang, Chun-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m517
• a: 7.7332 ± 0.0006 Å
• b: 10.8948 ± 0.0008 Å
• c: 11.9112 ± 0.0009 Å
• α: 103.625 ± 0.001°
• β: 90.664 ± 0.002°
• γ: 98.993 ± 0.001°
• Cell volume: 962.08 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes