Information card for entry 7030020

Structure parameters

• Formula: C26 H24 B2 F8 Fe N20
• Calculated formula: C26 H24 B2 F8 Fe N20
• Title of publication: Multiplying the electron storage capacity of a bis-tetrazine pincer ligand.
• Authors of publication: Benson, Christopher R.; Hui, Alice K.; Parimal, Kumar; Cook, Brian J.; Chen, Chun-Hsing; Lord, Richard L.; Flood, Amar H.; Caulton, Kenneth G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6513 - 6524
• a: 10.4576 ± 0.001 Å
• b: 10.4576 ± 0.001 Å
• c: 16.6823 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1824.4 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 134
• Hermann-Mauguin space group symbol: P 42/n n m :2
• Hall space group symbol: -P 4ac 2bc
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections: 0.4223
• Weighted residual factors for significantly intense reflections: 0.3845
• Weighted residual factors for all reflections included in the refinement: 0.4223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No