Information card for entry 4316604

Structure parameters

• Common name: [(PY5Me2)4Cu4Re(CN)7](PF6)4
• Formula: C123 H100 Cu4 F24 N27 P4 Re
• Calculated formula: C123 H100 Cu4 F24 N27 P4 Re
• SMILES: [Re](C#[N][Cu]123[n]4c(C(c5[n]2c([C@@](c2ncccc2)(C)c2[n]3cccc2)ccc5)(C)c2[n]1cccc2)cccc4)(C#[N][Cu]123[n]4c(C(c5[n]3c([C@](c3ncccc3)(c3[n]2cccc3)C)ccc5)(C)c2[n]1cccc2)cccc4)(C#[N][Cu]123[n]4c(C(c5[n]2c([C@@](c2ncccc2)(C)c2[n]3cccc2)ccc5)(C)c2[n]1cccc2)cccc4)(C#[N][Cu]123[n]4c([C@](c5ncccc5)(C)c5[n]1cccc5)cccc4C(c1[n]2cccc1)(C)c1[n]3cccc1)(C#N)(C#N)C#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Slow Magnetic Relaxation and Charge-Transfer in Cyano-Bridged Coordination Clusters Incorporating [Re(CN)7]3-/4-
• Authors of publication: Joseph M. Zadrozny; Danna E. Freedman; David M. Jenkins; T. David Harris; Anthony T. Iavarone; Corine Mathonière; Rodolphe Clérac; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8886 - 8896
• a: 18.7657 ± 0.001 Å
• b: 19.3343 ± 0.001 Å
• c: 22.5562 ± 0.0012 Å
• α: 113.098 ± 0.001°
• β: 97.219 ± 0.001°
• γ: 110.376 ± 0.001°
• Cell volume: 6722.5 ± 0.6 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No