Information card for entry 4503262

Structure parameters

• Formula: C28 H42 Cu N6 O16 S2
• Calculated formula: C28 H42 Cu N6 O16 S2
• SMILES: c1ccc2c(ccc3c2[n]1[Cu]1(O3)[n]2cccc3c(ccc(c23)O1)S(=O)(=O)[O-])S(=O)(=O)[O-].[nH]1cc[n+](c1)CCCC[n+]1cc[nH]c1.O.O.O.O.O.O.O.O
• Title of publication: Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions
• Authors of publication: Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1250
• a: 8.583 ± 0.005 Å
• b: 8.705 ± 0.004 Å
• c: 12.119 ± 0.008 Å
• α: 97.08 ± 0.02°
• β: 93.54 ± 0.02°
• γ: 93.01 ± 0.02°
• Cell volume: 895.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No