Information card for entry 4324427

Structure parameters

• Formula: C22 H32 F6 N12 O6 Re2 S2
• Calculated formula: C22 H32 F6 N12 O6 Re2 S2
• SMILES: C1CN2C3=[N]1[Re]145(OS(=O)(=O)C(F)(F)F)[N]6=C7N(CCN7CC6)[Re]5([N]5=C6N1CCN6CC5)([N]1=C5N4CCN5CC1)(N3CC2)OS(=O)(=O)C(F)(F)F
• Title of publication: Tuning the Electrochemistry of Re26+ Species with Divergent Bicyclic Guanidinate Ligands and by Modification of Axial π Interactions
• Authors of publication: Gina M. Chiarella; F. Albert Cotton; Carlos A. Murillo; Mark D. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1258 - 1264
• a: 8.637 ± 0.004 Å
• b: 15.902 ± 0.007 Å
• c: 14.255 ± 0.005 Å
• α: 90°
• β: 119.5 ± 0.02°
• γ: 90°
• Cell volume: 1704 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No