Information card for entry 4318149

Structure parameters

• Formula: C50 H42 F12 N4 O2 P4 Tc
• Calculated formula: C50 H54 F12 N4 O2 P4 Tc
• SMILES: CC#[N][Tc]([N]#CC)([N]#CC)([N]#CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Synthesis and Characterization of Technetiumtetrakis(acetonitrile)bis(triphenylphosphine) Cationic Complexes
• Authors of publication: Evan Freiberg; William M. Davis; Alan Davison; Alun G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3337 - 3339
• a: 16.6859 ± 0.0019 Å
• b: 16.5534 ± 0.0018 Å
• c: 20.086 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5547.9 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No