Information card for entry 2214189

Structure parameters

• Chemical name: (μ-1,4-Dithiane-κ^2^S:S')bis[μ-3,3'-(naphthalene-2,7- diyldimethylene)bis(pentane-2,4-dionato)-κ^4^O,O':O'',O''']dicopper,
• Formula: C48 H52 Cu2 O8 S2
• Calculated formula: C48 H52 Cu2 O8 S2
• SMILES: C12=C(O[Cu]34([S]5CC[S](CC5)[Cu]56([O]=C(C)C(=C(O6)C)Cc6ccc7ccc(C1)cc7c6)[O]=C(C)C(=C(C)O5)Cc1ccc5ccc(CC(=C(O4)C)C(C)=[O]3)cc5c1)[O]=C2C)C
• Title of publication: A cofacial binuclear copper(II) complex with a bridging 1,4-dithiane ligand
• Authors of publication: Burton, Sylvester; Fronczek, Frank R.; Maverick, Andrew W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1977 - m1978
• a: 7.758 ± 0.002 Å
• b: 28.981 ± 0.007 Å
• c: 9.64 ± 0.003 Å
• α: 90°
• β: 97.84 ± 0.015°
• γ: 90°
• Cell volume: 2147.1 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes