Information card for entry 2221653

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[pyridinecopper(II)]-(μ-2-oxidonaphthalene-1-carbaldehyde picolinoylhydrazonato)-[pyridinecopper(II)]-μ-sulfonato] diethyl ether hemisolvate]
• Formula: C58 H52 Cu4 N10 O13 S2
• Calculated formula: C29 H26 Cu2 N5 O6.5 S
• SMILES: [Cu]12(Oc3c(C=[N]1[N]1=C(O2)c2[n]([Cu]41([n]1ccccc1)OS(=O)(=O)O4)cccc2)c1c(cc3)cccc1)([n]1ccccc1)[O]=S1(=O)O[Cu]2([N]3=C(O[Cu]4([N]3=Cc3c(O4)ccc4c3cccc4)[n]3ccccc3)c3[n]2cccc3)([n]2ccccc2)O1.OCC.OCC
• Title of publication: <i>catena</i>-Poly[[[pyridinecopper(II)]-(μ-2-oxidonaphthalene-1-carbaldehyde picolinoylhydrazonato)-[pyridinecopper(II)]-μ-sulfato] diethyl ether hemisolvate]
• Authors of publication: Wang, Quanchang; Li, Dacheng; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m520
• a: 26.484 ± 0.002 Å
• b: 14.0374 ± 0.0015 Å
• c: 16.8083 ± 0.0017 Å
• α: 90°
• β: 108.404 ± 0.002°
• γ: 90°
• Cell volume: 5929.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes