Information card for entry 4321559

Structure parameters

• Common name: [Cu2(TBAN)(Ph3CCOO)(OTf)](OTf)
• Formula: C60.5 H52 Cl Cu2 F6 N4 O8 S2
• Calculated formula: C60.5 H51 Cl Cu2 F6 N4 O8 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: 22.5642 ± 0.0002 Å
• b: 22.3852 ± 0.0004 Å
• c: 23.5102 ± 0.0004 Å
• α: 90°
• β: 95.53 ± 0.001°
• γ: 90°
• Cell volume: 11819.8 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 8
• 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: 0.1512
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No