Information card for entry 4088164

Structure parameters

• Formula: C43 H34.5 Cl2 Cu2 F12 N8.5 O8 P2
• Calculated formula: C43 H34.5 Cl2 Cu2 F12 N8.5 O8 P2
• SMILES: [Cu]1234OCl(=O)(=O)=[O][Cu]56(OCl(=O)(=O)=[O]1)[n]1c7nc8[n]4c(c4[n]3c(c3[n]2cccc3)ccc4)ccc8c(c7ccc1c1[n]5c(ccc1)c1[n]6cccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.CCCCCC
• Title of publication: Dicopper Complexes with Anthyridine-Based Ligands: Coordination and Catalytic Activity
• Authors of publication: Huang, Da-wei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 151
• a: 17.3756 ± 0.0007 Å
• b: 17.7904 ± 0.0008 Å
• c: 18.7143 ± 0.0009 Å
• α: 72.24 ± 0.004°
• β: 71.999 ± 0.004°
• γ: 63.587 ± 0.004°
• Cell volume: 4831.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1328
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No