Information card for entry 4338311

Structure parameters

• Chemical name: Tetrammine(fluorido)nitrosyltechnetium(I) hexafluorophosphate x 1/2 KPF6
• Formula: F20 H24 K N10 O2 P3 Tc2
• Calculated formula: F20 H24 K N10 O2 P3 Tc2
• SMILES: F[Tc](N=O)([NH3])([NH3])([NH3])[NH3].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[K+].F[Tc](N=O)([NH3])([NH3])([NH3])[NH3].[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: 12.304 ± 0.001 Å
• b: 12.304 ± 0.001 Å
• c: 8.488 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1285 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No