Information card for entry 2221360

Structure parameters

• Chemical name: Bis[μ-<i>N</i>'-isobutyryl-1-oxidonaphthalene-2- carbohydrazidato(3-)]dipyridinetricopper(II)
• Formula: C40 H36 Cu3 N6 O6
• Calculated formula: C40 H36 Cu3 N6 O6
• SMILES: C12=[N]3[N](=C(O[Cu]3([n]3ccccc3)Oc3c1ccc1c3cccc1)C(C)C)[Cu]1(O2)[N]2=C(O[Cu]3([N]2=C(c2c(c4c(cc2)cccc4)O3)O1)[n]1ccccc1)C(C)C
• Title of publication: Bis[μ-<i>N</i>'-isobutyryl-1-oxidonaphthalene-2-carbohydrazidato(3-)]dipyridinetricopper(II)
• Authors of publication: Shi, Xue-Feng; Li, Dacheng; Li, Pi-Yong; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m435
• a: 23.661 ± 0.002 Å
• b: 13.0521 ± 0.0018 Å
• c: 13.3142 ± 0.0015 Å
• α: 90°
• β: 113.684 ± 0.002°
• γ: 90°
• Cell volume: 3765.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes