Information card for entry 7720155

Structure parameters

• Formula: C4 H7 Br3 N2 Tc0.5
• Calculated formula: C4 H7 Br3 N2 Tc0.5
• Title of publication: Crystallographic insights into (ImHR)₂[TcBr₆] (Im = imidazole, R = H, Me, Et): non-covalent interactions and mass spectrometry.
• Authors of publication: Novikov, Anton P.; Volkov, Mikhail A.; Grigoriev, Mikhail S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 3990 - 3999
• a: 7.7095 ± 0.0008 Å
• b: 7.9065 ± 0.0008 Å
• c: 8.0783 ± 0.0008 Å
• α: 79.107 ± 0.005°
• β: 86.065 ± 0.005°
• γ: 66.969 ± 0.005°
• Cell volume: 444.99 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No