Information card for entry 4318751

Structure parameters

• Formula: C53 H50 Cl2 F6 O P5 Tc
• Calculated formula: C53 H50 Cl2 F6 O P5 Tc
• SMILES: [Tc]12(Cl)(Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Reduction of the Pertechnetate Anion with Bidentate Phosphine Ligands
• Authors of publication: Evan Freiberg; William M. Davis; Terrence Nicholson; Alan Davison; Alun G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5667 - 5674
• a: 12.1601 ± 0.0013 Å
• b: 12.9798 ± 0.0014 Å
• c: 17.2293 ± 0.0018 Å
• α: 87.726 ± 0.002°
• β: 80.318 ± 0.002°
• γ: 72.725 ± 0.002°
• Cell volume: 2559.6 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No