Information card for entry 7036198

Structure parameters

• Chemical name: [(BmmMe)Cu(μ-dmit)]n(BF4)n
• Formula: C28 H40 B2 Cu2 F8 N12 S6
• Calculated formula: C28 H40 B2 Cu2 F8 N12 S6
• 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: 9.4763 ± 0.0019 Å
• b: 27.97 ± 0.006 Å
• c: 7.8016 ± 0.0016 Å
• α: 90°
• β: 99.89 ± 0.03°
• γ: 90°
• Cell volume: 2037.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No