Information card for entry 2023084

Structure parameters

• Chemical name: (1<i>H</i>-Imidazole){tris[(1-benzyltriazol-4-yl-κ<i>N</i>^3^)methyl]amine-κ<i>N</i>}cobalt(II) bis(tetrafluoroborate)
• Formula: C33 H34 B2 Co F8 N12
• Calculated formula: C33 H34 B2 Co F8 N12
• Title of publication: Structure of the five-coordinate CoII complex (1H-imidazole){tris[(1-benzyltriazol-4-yl-κN 3)methyl]amine-κN}cobalt(II) bis(tetrafluoroborate)
• Authors of publication: Batra, Vipul; Reed, Garrett C.; Tierney, David L.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 10.6861 ± 0.0004 Å
• b: 13.0639 ± 0.0005 Å
• c: 15.7006 ± 0.0006 Å
• α: 96.304 ± 0.002°
• β: 107.142 ± 0.002°
• γ: 110.766 ± 0.002°
• Cell volume: 1901.24 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1178
• 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: Yes
• Has Fobs: No