Information card for entry 4349161

Structure parameters

• Formula: C22 H16 Cl Cu2 N6 O2
• Calculated formula: C22 H16 Cl Cu2 N6 O2
• SMILES: c1cccc2C(=O)N3c4cccc[n]4[Cu]456[Cl][Cu]34([n]12)[n]1c(cccc1)N6C(=O)c1cccc[n]51
• Title of publication: Synthesis and Characterization of Copper Complexes with Cu^ICu^I, Cu^1.5Cu^1.5m and Cu^IICu^II Core Structures Supported by a Flexible Dipyridylamide Ligand.
• Authors of publication: McMoran, Ethan P.; Powell, Douglas R.; Perez, Felio; Rowe, Gerard T.; Yang, Lei
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11462 - 11472
• a: 12.799 ± 0.004 Å
• b: 12.332 ± 0.004 Å
• c: 14.475 ± 0.005 Å
• α: 90°
• β: 113.998 ± 0.003°
• γ: 90°
• Cell volume: 2087.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No