Information card for entry 7248241

Structure parameters

• Formula: C18 H29 Cl2 N4 O2 Tc
• Calculated formula: C18 H29 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: 6.8766 ± 0.0004 Å
• b: 7.6359 ± 0.0005 Å
• c: 21.635 ± 0.0013 Å
• α: 92.223 ± 0.002°
• β: 94.493 ± 0.002°
• γ: 107.672 ± 0.002°
• Cell volume: 1076.75 ± 0.12 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: 0.0496
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No