Information card for entry 2223699

Structure parameters

• Chemical name: [μ-4-Benzoyl-1-(1-oxido-2- naphthylcarbonyl)thiosemicarbazidato(4-)]bis[pyridinecopper(II)]
• Formula: C29 H21 Cu2 N5 O3 S
• Calculated formula: C29 H21 Cu2 N5 O3 S
• SMILES: [Cu]12(SC3N=C(O[Cu]4(OC(c5c(O2)c2c(cc5)cccc2)=[N]1[N]=34)[n]1ccccc1)c1ccccc1)[n]1ccccc1
• Title of publication: [μ-4-Benzoyl-1-(1-oxido-2-naphthylcarbonyl)thiosemicarbazidato(4{-})]bis[pyridinecopper(II)]
• Authors of publication: Zhang, Wen; Gao, Jin-Ping; Shi, Xue-Feng; Li, Da-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1363
• a: 12.7621 ± 0.0014 Å
• b: 9.2609 ± 0.0011 Å
• c: 21.683 ± 0.002 Å
• α: 90°
• β: 92.168 ± 0.002°
• γ: 90°
• Cell volume: 2560.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1096
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes