Information card for entry 4324355

Structure parameters

• Formula: C13 H15 N2 O3 S2 Tc
• Calculated formula: C13 H15 N2 O3 S2 Tc
• SMILES: [Tc]1([S]=C(S1)N(CC)CC)([n]1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Technetium(I) Carbonyl Dithiocarbamates and Xanthates
• Authors of publication: A. E. Miroslavov; G. V. Sidorenko; D. N. Suglobov; A. A. Lumpov; V. V. Gurzhiy; M. S. Grigor'ev; V. A. Mikhalev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1098 - 1104
• a: 11.5981 ± 0.0009 Å
• b: 10.7273 ± 0.0008 Å
• c: 13.3522 ± 0.0011 Å
• α: 90°
• β: 95.615 ± 0.002°
• γ: 90°
• Cell volume: 1653.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No