Information card for entry 2219352

Structure parameters

• Chemical name: Tetraethylammonium tricarbonylchlorido(isoquinoline-1-carboxylato-κ^2^N,O)technetate(I)
• Formula: C21 H26 Cl N2 O5 Tc
• Calculated formula: C21 H26 Cl N2 O5 Tc
• SMILES: [Tc]1(Cl)(C#[O])(C#[O])(C#[O])OC(=O)c2[n]1ccc1ccccc21.[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium tricarbonylchlorido(isoquinoline-1-carboxylato-κ^2^<i>N</i>,<i>O</i>)technetate(I)
• Authors of publication: Schmalle, Helmut W.; Alberto, Roger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1213 - m1214
• a: 11.7657 ± 0.0014 Å
• b: 12.7481 ± 0.0014 Å
• c: 17.1855 ± 0.0018 Å
• α: 102.878 ± 0.012°
• β: 109.624 ± 0.012°
• γ: 99.052 ± 0.013°
• Cell volume: 2290 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes