Information card for entry 7027331

Structure parameters

• Formula: C54 H44 N6 S4 Zn2
• Calculated formula: C54 H44 N6 S4 Zn2
• SMILES: c1cc(cc[n]1[Zn](Sc1ccccc1)(Sc1ccccc1)[n]1ccc(c2cc[n](cc2)[Zn]([n]2ccc(cc2)c2ccncc2)(Sc2ccccc2)Sc2ccccc2)cc1)c1ccncc1
• Title of publication: Syntheses and crystal structures of the dimer [{Zn(SPh)2(bpy)}2(μ-bpy)] and two forms of the zigzag co-ordination polymer [{Zn(SPh)2(μ-bpy)}n], (bpy = 4,4′-bipyridyl)
• Authors of publication: Sampanthar, Jeyagowry T.; Vittal, Jagadese J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1993
• a: 14.4276 ± 0.0003 Å
• b: 17.5358 ± 0.0001 Å
• c: 9.9439 ± 0.0002 Å
• α: 90°
• β: 104.85°
• γ: 90°
• Cell volume: 2431.77 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.0754
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No