Information card for entry 7248237

Structure parameters

• Formula: C14 H21 Cl2 N4 O2 Tc
• Calculated formula: C14 H21 Cl2 N4 O2 Tc
• Title of publication: The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine
• Authors of publication: Novikov, Anton P.; Volkov, Mikhail A.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 1747 - 1755
• a: 9.0399 ± 0.0005 Å
• b: 14.145 ± 0.0008 Å
• c: 14.986 ± 0.0008 Å
• α: 69.993 ± 0.002°
• β: 84.129 ± 0.002°
• γ: 83.815 ± 0.002°
• Cell volume: 1785.73 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No