Information card for entry 4338314

Structure parameters

• Chemical name: Fluoridotetrakis(pyridine)nitrosyltechnetium(I) hexafluorophosphate
• Formula: C20 H20 F7 N5 O P Tc
• Calculated formula: C20 H20 F7 N5 O P Tc
• SMILES: c1cccc[n]1[Tc](F)(N=O)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.
• Authors of publication: Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5117 - 5128
• a: 9.374 ± 0.001 Å
• b: 9.379 ± 0.001 Å
• c: 14.443 ± 0.002 Å
• α: 104.47 ± 0.01°
• β: 104.42 ± 0.01°
• γ: 98.24 ± 0.01°
• Cell volume: 1161.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No