Information card for entry 4349162

Structure parameters

• Formula: C22 H16 Cl2 Cu3 N6 O2
• Calculated formula: C22 H16 Cl2 Cu3 N6 O2
• SMILES: c1cccc2[n]1[Cu]1345[Cu]67(N2C(=O)c2cccc[n]62)([Cl][Cu]17[Cl]5)[n]1ccccc1N3C(=O)c1cccc[n]41
• 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: 15.219 ± 0.004 Å
• b: 7.4337 ± 0.0019 Å
• c: 19.372 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2191.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No