Information card for entry 4316809

Structure parameters

• Formula: C17 H12 F3 N4 O6 Re S
• Calculated formula: C17 H12 F3 N4 O6 Re S
• SMILES: [Re]1(C#[O])([n]2ccccc2c2cccc[n]12)([n]1c[nH]cc1)(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Organometallic Complexes with Terminal Imidazolato Ligands and Their Use as Metalloligands
• Authors of publication: Eva Gómez; Miguel Ángel Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9527 - 9534
• a: 11.86078 ± 0.00012 Å
• b: 6.8182 ± 0.0001 Å
• c: 25.4623 ± 0.0003 Å
• α: 90°
• β: 102.233 ± 0.001°
• γ: 90°
• Cell volume: 2012.36 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No