Information card for entry 2223759

Structure parameters

• Chemical name: Bis[μ-<i>N</i>'-acetyl-1-oxidonaphthalene-2- carbohydrazidato(3-)]tetrapyridinetricopper(II)
• Formula: C46 H38 Cu3 N8 O6
• Calculated formula: C46 H38 Cu3 N8 O6
• SMILES: C12=[N]3[N](=C(O[Cu]3([n]3ccccc3)Oc3c1ccc1c3cccc1)C)[Cu]1([n]3ccccc3)(O2)([N]2=C(O[Cu]3([N]2=C(c2c(c4c(cc2)cccc4)O3)O1)[n]1ccccc1)C)[n]1ccccc1
• Title of publication: Bis[μ-<i>N</i>'-acetyl-1-oxidonaphthalene-2-carbohydrazidato(3{-})]tetrapyridinetricopper(II)
• Authors of publication: Gao, Jin-Ping; Zhang, Wen; 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: m1455
• a: 24.08 ± 0.003 Å
• b: 9.8572 ± 0.0011 Å
• c: 19.373 ± 0.002 Å
• α: 90°
• β: 111.371 ± 0.002°
• γ: 90°
• Cell volume: 4282.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1309
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1119
• 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