Information card for entry 4324354

Structure parameters

• Formula: C16 H20 N2 O6 S4 Tc2
• Calculated formula: C16 H20 N2 O6 S4 Tc2
• SMILES: N(C1[S]2[Tc]3(C#[O])(C#[O])(C#[O])[S](C(N(CC)CC)=[S]3)[Tc]2([S]=1)(C#[O])(C#[O])C#[O])(CC)CC
• 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: 15.5131 ± 0.0009 Å
• b: 12.0442 ± 0.001 Å
• c: 13.5538 ± 0.0008 Å
• α: 90°
• β: 103.368 ± 0.005°
• γ: 90°
• Cell volume: 2463.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No