Information card for entry 2013593

Structure parameters

• Chemical name: bis(μ-1,2-benzenethiolato)-1:2κ^3^S,S':S';2:1κ^3^S,S':S'- bis[(2,2'-bipyridine-κ^2^N,N')zinc(II)]
• Formula: C32 H24 N4 S4 Zn2
• Calculated formula: C32 H24 N4 S4 Zn2
• SMILES: c12cccc[n]1[Zn]13([n]4ccccc24)[S]([Zn]24([n]5ccccc5c5cccc[n]25)[S]1c1c(S4)cccc1)c1c(S3)cccc1
• Title of publication: A dimeric heteroleptic five-coordinate zinc(II) complex containing a non-motionally restricted <i>N</i>,<i>N</i>'-heterocyclic ligand
• Authors of publication: Hatch, Dana M.; Wacholtz, William F.; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m452 - m453
• a: 10.859 ± 0.001 Å
• b: 9.523 ± 0.001 Å
• c: 13.91 ± 0.001 Å
• α: 90°
• β: 93.18 ± 0.01°
• γ: 90°
• Cell volume: 1436.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes