Information card for entry 7036197

Structure parameters

• Chemical name: [(dmise)Cu(μ-BsemMe)2Cu(dmise)](BF4)2
• Formula: C28 H40 B2 Cu2 F8 N12 Se6
• Calculated formula: C28 H40 B2 Cu2 F8 N12 Se6
• SMILES: [B](F)(F)(F)[F-].C1(N(C)C=CN1C)=[Se][Cu]123[Se]=C4N(C)C=CN4CN4C(N(C)C=C4)=[Se]3[Cu]31([Se]2=C1N(C)C=CN1CN1C(N(C)C=C1)=[Se]3)[Se]=C1N(C)C=CN1C.[B](F)(F)(F)[F-]
• Title of publication: Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies.
• Authors of publication: Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16313 - 16324
• a: 8.1868 ± 0.0016 Å
• b: 11.247 ± 0.002 Å
• c: 12.904 ± 0.003 Å
• α: 66.67 ± 0.03°
• β: 84.64 ± 0.03°
• γ: 77.72 ± 0.03°
• Cell volume: 1066 ± 0.5 ų
• Cell temperature: 168.15 K
• Ambient diffraction temperature: 168.15 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: 0.0796
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No