Information card for entry 2203189

Structure parameters

• Chemical name: Di-μ-chloro-bis[(2,2':6,2"-terpyridine-κ^3^N)copper(II)] diperchlorate
• Formula: C30 H22 Cl4 Cu2 N6 O8
• Calculated formula: C30 H22 Cl4 Cu2 N6 O8
• SMILES: c1[n]2c(ccc1)c1cccc3c4cccc[n]4[Cu]42([n]13)[Cl][Cu]12([Cl]4)[n]3ccccc3c3cccc(c4cccc[n]24)[n]13.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Di-μ-chloro-bis[(2,2':6,2''-terpyridine-κ^3^<i>N</i>)copper(II)] diperchlorate: the triclinic polymorph
• Authors of publication: Gilles Gasser; Gaël Labat; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m244 - m246
• a: 6.9905 ± 0.0008 Å
• b: 9.8696 ± 0.0011 Å
• c: 23.782 ± 0.002 Å
• α: 91.431 ± 0.013°
• β: 93.524 ± 0.013°
• γ: 102.678 ± 0.014°
• Cell volume: 1596.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1491
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes