Information card for entry 4338312

Structure parameters

• Chemical name: Tetrammine(fluorido)nitrosyltechnetium(I) bifluoride x 1/2 RbF
• Formula: F7 H26 N10 O2 Rb Tc2
• Calculated formula: F7 H26 N10 O2 Rb Tc2
• SMILES: F[Tc](N=O)([NH3])([NH3])([NH3])[NH3].[F][H][F].[F-].[Rb+].[NH3][Tc]([NH3])(F)(N=O)([NH3])[NH3].[F][H][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: 16.454 ± 0.002 Å
• b: 16.454 ± 0.002 Å
• c: 6.938 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No