Information card for entry 4338315

Structure parameters

• Chemical name: tetrammine(trifluoroacetato)nitrosyltechnetium(I) trifluoroacetate trifluoroacetic acid solvate
• Formula: C6 H13 F9 N5 O7 Tc
• Calculated formula: C6 H13 F9 N5 O7 Tc
• 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: 7.133 ± 0.001 Å
• b: 9.323 ± 0.001 Å
• c: 14.198 ± 0.001 Å
• α: 99.64 ± 0.01°
• β: 100.09 ± 0.01°
• γ: 98.18 ± 0.01°
• Cell volume: 902.01 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No