Information card for entry 4337125

Structure parameters

• Formula: C8 H15 F6 N3 O5 P Re S
• Calculated formula: C8 H15 F6 N3 O5 P Re S
• SMILES: [Re]12([NH2]CC[N]1(S(=O)(=O)C)CC[NH2]2)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Complexes Possessing Rare "Tertiary" Sulfonamide Nitrogen-to-Metal Bonds of Normal Length: fac-[Re(CO)3(N(SO2R)dien)]PF6 Complexes with Hydrophilic Sulfonamide Ligands.
• Authors of publication: Abhayawardhana, Pramuditha L.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1144 - 1155
• a: 12.822 ± 0.003 Å
• b: 8.8089 ± 0.0019 Å
• c: 14.026 ± 0.003 Å
• α: 90°
• β: 94.373 ± 0.01°
• γ: 90°
• Cell volume: 1579.6 ± 0.6 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 8
• 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: 0.02
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No