Information card for entry 4338316

Structure parameters

• Chemical name: Tetraphenylarsonium tetrachlorido(ethanol)nitrosyltechnetate(II) ethanol solvate
• Formula: C28 H32 As Cl4 N O3 Tc
• Calculated formula: C28 H32 As Cl4 N O3 Tc
• SMILES: [Tc](Cl)(Cl)(Cl)(Cl)([OH]CC)N=O.[As](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.OCC
• 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: 10.904 ± 0.001 Å
• b: 17.594 ± 0.001 Å
• c: 17.046 ± 0.001 Å
• α: 90°
• β: 103.16 ± 0.01°
• γ: 90°
• Cell volume: 3184.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No