Information card for entry 2017821

Structure parameters

• Chemical name: (μ-dithionato-1:2κ^2^O:O')-bis[2,2':6',2''-terpyridyl-κ^3^N,N',N'')\ copper(II)] monohydrate
• Formula: C30 H24 Cl2 Cu2 N6 O7 S2
• Calculated formula: C30 H24 Cl2 Cu2 N6 O7 S2
• Title of publication: Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex
• Authors of publication: Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m343 - m347
• a: 8.1961 ± 0.0013 Å
• b: 8.6029 ± 0.0015 Å
• c: 12.2566 ± 0.0019 Å
• α: 107.927 ± 0.013°
• β: 99.171 ± 0.013°
• γ: 105.244 ± 0.013°
• Cell volume: 765.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes