Information card for entry 4318753

Structure parameters

• Formula: C34 H28 Cl2 F6 N2 O2 P3 Tc
• Calculated formula: C34 H28 Cl2 F6 N2 O2 P3 Tc
• SMILES: c12[n](cccc2)[Tc]2(Cl)([O]=P1(c1ccccc1)c1ccccc1)(Cl)[n]1c(cccc1)P(c1ccccc1)(=[O]2)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 28.813 ± 0.017 Å
• b: 7.859 ± 0.005 Å
• c: 15.229 ± 0.006 Å
• α: 90°
• β: 94.28 ± 0.03°
• γ: 90°
• Cell volume: 3439 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No