Information card for entry 4338309

Structure parameters

• Common name: Dipotassium pentafluoronitrosyltechnetate(II)monohydrate
• Chemical name: Dipotassium pentafluoronitrosyltechnetate(II) monohydrate
• Formula: F5 K2 N O2 Tc
• Calculated formula: F5 K2 N O2 Tc
• SMILES: F[Tc](F)(N=O)(F)(F)F.[K+].[K+].O
• 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: 6.203 ± 0.001 Å
• b: 18.654 ± 0.004 Å
• c: 6.301 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 729.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No