Information card for entry 4321556

Structure parameters

• Common name: [Cu2(TBAN)(1-Me-BzIm)2](OTf)2
• Formula: C57 H54 Cl2 Cu2 F6 N8 O6 S2
• Calculated formula: C57 H52 Cl2 Cu2 F6 N8 O6 S2
• Title of publication: Synthesis and Characterization of Several Dicopper(I) Complexes and a Spin-Delocalized Dicopper(I,II) Mixed-Valence Complex Using a 1,8-Naphthyridine-Based Dinucleating Ligand
• Authors of publication: Chuan He; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5225 - 5231
• a: 12.8261 ± 0.0005 Å
• b: 15.0676 ± 0.0006 Å
• c: 16.2679 ± 0.0006 Å
• α: 85.814 ± 0.001°
• β: 83.829 ± 0.001°
• γ: 69.974 ± 0.001°
• Cell volume: 2934.5 ± 0.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No