Information card for entry 4349160

Structure parameters

• Formula: C47 H38 Cu4 F6 N12 Na O5 P
• Calculated formula: C47 H38 Cu4 F6 N12 Na O5 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Na+].c1cccc2[n]1[Cu]13[Cu]4(N(C(c5cccc[n]45)=O)c4cccc[n]14)[n]1c([N]3C2=O)cccc1.c1cccc2C(N3[Cu]4([n]12)[n]1ccccc1[N]1C(=O)c2cccc[n]2[Cu]41[n]1ccccc31)=O.C(=O)(C)C
• 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: 15.031 ± 0.003 Å
• b: 27.899 ± 0.006 Å
• c: 11.378 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4771.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No