Information card for entry 7036196

Structure parameters

• Chemical name: [(dmit)Cu(μ-BsemMe)2Cu(dmit)](BF4)2
• Formula: C28 H40 B2 Cu2 F8 N12 S2 Se4
• Calculated formula: C28 H40 B2 Cu2 F8 N12 S2 Se4
• SMILES: [B](F)(F)(F)[F-].C1(N(C)C=CN1C)=[S][Cu]123[Se]=C4N(C)C=CN4CN4C(N(C=C4)C)=[Se]3[Cu]31([S]=C1N(C)C=CN1C)[Se]2=C1N(CN2C(N(C)C=C2)=[Se]3)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: 8.1987 ± 0.0016 Å
• b: 11.198 ± 0.002 Å
• c: 12.935 ± 0.003 Å
• α: 65.68 ± 0.03°
• β: 84.17 ± 0.03°
• γ: 77.75 ± 0.03°
• Cell volume: 1057.4 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0658
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No