Information card for entry 2004045

Structure parameters

• Chemical name: Dichloro(O,O'-diethyldithiophosphato-S,S')- bis(dimethylphenylphosphine)technetium(III)
• Formula: C20 H32 Cl2 O2 P3 S2 Tc
• Calculated formula: C20 H32 Cl2 O2 P3 S2 Tc
• SMILES: [Tc]1(Cl)(Cl)([P](c2ccccc2)(C)C)([P](c2ccccc2)(C)C)[S]=P(S1)(OCC)OCC
• Title of publication: <i>trans</i>-Dichloro(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>,<i>S</i>')bis(dimethylphenylphosphine)technetium(III)
• Authors of publication: Abram, U.; Abram, S.; Dilworth, J. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 1983 - 1985
• a: 32.885 ± 0.003 Å
• b: 8.983 ± 0.002 Å
• c: 19.043 ± 0.002 Å
• α: 90°
• β: 101.49 ± 0.01°
• γ: 90°
• Cell volume: 5512.7 ± 1.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.0689
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No