Information card for entry 4323990

Structure parameters

• Chemical name: Dichloro tris(μ-di-p-tolylformamidinate) ditechnetium (II,III)
• Formula: C45 H45 Cl2 N6 Tc2
• Calculated formula: C45 H45 Cl2 N6 Tc2
• SMILES: [Tc]123([Tc](Cl)([N](=CN1c1ccc(cc1)C)c1ccc(cc1)C)(N(C=[N]2c1ccc(cc1)C)c1ccc(cc1)C)[N](=CN3c1ccc(cc1)C)c1ccc(cc1)C)Cl
• Title of publication: Metal-Metal Multiply Bonded Complexes of Technetium. 5.1 Tris and Tetrakis(formamidinato) Complexes of Ditechnetium
• Authors of publication: F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 7350 - 7357
• a: 16.1853 ± 0.0015 Å
• b: 15.6371 ± 0.0015 Å
• c: 17.8116 ± 0.0011 Å
• α: 90°
• β: 110.142 ± 0.005°
• γ: 90°
• Cell volume: 4232.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.1171
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No