Information card for entry 7024314

Structure parameters

• Common name: di-mu-sulphato-k4O,O'-bis(2,2'-dipyridylsulphide-k2N,N')- dicopper(ii) - water (1
• Chemical name: di-mu-sulphato-k4O,O'-bis(2,2'-dipyridylsulphide-k2N,N')-dicopper(II) - water (1/3)
• Formula: C20 H26 Cu2 N4 O13 S4
• Calculated formula: C20 H20 Cu2 N4 O13 S4
• Title of publication: Dynamic combinatorial chemistry in a solvothermal process of Cu(I,II) and organosulfur ligands.
• Authors of publication: Delgado, Salomé; Santana, Adriano; Castillo, Oscar; Zamora, Félix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2280 - 2287
• a: 7.1397 ± 0.0005 Å
• b: 9.3421 ± 0.0009 Å
• c: 11.5895 ± 0.0011 Å
• α: 113.487 ± 0.004°
• β: 93.318 ± 0.004°
• γ: 98.026 ± 0.004°
• Cell volume: 696.52 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No