Information card for entry 7035913

Structure parameters

• Chemical name: 8
• Formula: C42 H48 B Cu F4 N4 Se2
• Calculated formula: C42 H48 B Cu F4 N4 Se2
• SMILES: [B](F)(F)(F)[F-].C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Se][Cu][Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.
• Authors of publication: Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15636 - 15644
• a: 19.9268 ± 0.0008 Å
• b: 8.3983 ± 0.0003 Å
• c: 24.7922 ± 0.001 Å
• α: 90°
• β: 100.413 ± 0.004°
• γ: 90°
• Cell volume: 4080.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043295
• Residual factor for significantly intense reflections: 0.039059
• Weighted residual factors for all reflections included in the refinement: 0.106102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05207
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No