Information card for entry 4117150

Structure parameters

• Chemical name: Technetium(ii) hexakis(acetonitrile) bis tetrafluoroborate
• Formula: C12 H18 B2 F8 N6 Tc
• Calculated formula: C12 H18 B2 F8 N6 Tc
• SMILES: [B](F)(F)(F)[F-].C(C)#[N][Tc]([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Metal-Metal Multiply-Bonded Complexes of Technetium. 4.1Photodissociation of the Tc\τbTc Triple Bond in [Tc2(CH3CN)10][BF4]4
• Authors of publication: F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 5486 - 5487
• a: 8.175 ± 0.0009 Å
• b: 8.3775 ± 0.0007 Å
• c: 16.256 ± 0.002 Å
• α: 90°
• β: 92.058 ± 0.005°
• γ: 90°
• Cell volume: 1112.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1422
• Weighted residual factors for significantly intense reflections: 0.1345
• Goodness-of-fit parameter for all reflections: 1.139
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No