Information card for entry 7714387

Structure parameters

• Formula: C8 H24 Br6 N2 Tc
• Calculated formula: C8 H24 Br6 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: 9.1485 ± 0.0005 Å
• b: 10.7497 ± 0.0006 Å
• c: 9.9767 ± 0.0005 Å
• α: 90°
• β: 92.386 ± 0.002°
• γ: 90°
• Cell volume: 980.29 ± 0.09 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: 0.0305
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No