Information card for entry 7008234

Structure parameters

• Formula: C16 H18 Cu N6 O6 S
• Calculated formula: C16 H14 Cu N6 O6 S
• SMILES: [Cu](OS(=O)(=O)[O-])[n]1cn(c2cc(n3cncc3)cc(c2)Cn2cncc2)cc1.O.O
• Title of publication: Syntheses, crystal structures and properties of novel copper(II) complexes obtained by reactions of copper(II) sulfate pentahydrate with tripodal ligands.
• Authors of publication: Zhao, Wei; Fan, Jian; Song, You; Kawaguchi, Hiroyuki; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1509 - 1517
• a: 9.383 ± 0.004 Å
• b: 10.11 ± 0.005 Å
• c: 10.51 ± 0.006 Å
• α: 84.32 ± 0.02°
• β: 80.42 ± 0.02°
• γ: 70.61 ± 0.02°
• Cell volume: 926.3 ± 0.8 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No