Information card for entry 7714385

Structure parameters

• Formula: C14 H16 Cl6 N2 O2 S2 Tc
• Calculated formula: C14 H16 Cl6 N2 O2 S2 Tc
• Title of publication: Influence of organic cation on the formation of hexahalotechnetates: X-ray, thermal and comparative analysis of non-covalent interactions
• Authors of publication: Novikov, Anton P.; Zagidullin, Karim A.; Volkov, Mikhail A.; German, Konstantin E.; Nevolin, Iurii; Grigoriev , Mikhail
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.2136 ± 0.0005 Å
• b: 8.0612 ± 0.0006 Å
• c: 9.8742 ± 0.0007 Å
• α: 98.062 ± 0.003°
• β: 100.83 ± 0.003°
• γ: 92.071 ± 0.003°
• Cell volume: 557.23 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No