Information card for entry 4318750

Structure parameters

• Formula: C50 H44 Cl2 P4 Tc
• Calculated formula: C50 H44 Cl2 P4 Tc
• SMILES: C1[P]([Tc]2([P]1(c1ccccc1)c1ccccc1)(Cl)(Cl)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.0256 ± 0.0011 Å
• b: 11.2695 ± 0.0011 Å
• c: 11.7812 ± 0.0012 Å
• α: 92.771 ± 0.002°
• β: 104.474 ± 0.002°
• γ: 104.771 ± 0.002°
• Cell volume: 1360.7 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections: 0.1901
• Weighted residual factors for significantly intense reflections: 0.1767
• Goodness-of-fit parameter for all reflections: 1.182
• Goodness-of-fit parameter for significantly intense reflections: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No