Information card for entry 7714386

Structure parameters

• Formula: C8 H24 Cl6 N2 Tc
• Calculated formula: C8 H24 Cl6 N2 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: 8.8583 ± 0.0007 Å
• b: 10.434 ± 0.0008 Å
• c: 9.6725 ± 0.0008 Å
• α: 90°
• β: 92.915 ± 0.003°
• γ: 90°
• Cell volume: 892.85 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No