Information card for entry 4088165

Structure parameters

• Formula: C33 H35 Cl8 Cu2 N7 O20
• Calculated formula: C33 H35 Cl8 Cu2 N7 O20
• SMILES: [Cu]1([OH2])([OH2])([n]2c3nc4[n]([Cu]5([OH2])([OH2])[N]#CC)c(c6[n]5cccc6)ccc4c(c3ccc2c2[n]1cccc2)c1ccccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl
• 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: 12.533 ± 0.0004 Å
• b: 14.6328 ± 0.0006 Å
• c: 15.9142 ± 0.0006 Å
• α: 109.641 ± 0.004°
• β: 97.363 ± 0.003°
• γ: 113.854 ± 0.004°
• Cell volume: 2392.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No