Information card for entry 4308514

Structure parameters

• Chemical name: ditechnetium(I)-hexachloro-tetracarbonyl-dinitrosyl
• Formula: C4 Cl4 N2 O6 Tc2
• Calculated formula: C4 Cl4 N2 O6 Tc2
• SMILES: [Tc]1([Cl][Tc]([Cl]1)(Cl)(C#[O])(N=O)C#[O])(Cl)(N=O)(C#[O])C#[O]
• Title of publication: Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses
• Authors of publication: Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 683 - 690
• a: 18.82 ± 0.03 Å
• b: 6.103 ± 0.006 Å
• c: 12.151 ± 0.016 Å
• α: 90°
• β: 105.8 ± 0.17°
• γ: 90°
• Cell volume: 1343 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No