Information card for entry 2016660

Structure parameters

• Chemical name: Bis(4-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(4,5-diazafluorene-9- one-κ^2^N,N')copper(II)
• Formula: C42 H28 Cu N6 O8 S2
• Calculated formula: C42 H28 Cu N6 O8 S2
• SMILES: c1ccc2c([n]1[Cu]([n]1cccc3c1c1c(C3=O)cccn1)(OS(=O)(=O)c1ccc(N)c3c1cccc3)OS(=O)(=O)c1ccc(N)c3c1cccc3)c1c(C2=O)cccn1
• Title of publication: Two novel mixed-ligand complexes containing organosulfonate ligands
• Authors of publication: Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m250 - m253
• a: 14.8903 ± 0.0013 Å
• b: 13.9907 ± 0.0012 Å
• c: 17.1961 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3582.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes