Information card for entry 4075888

Structure parameters

• Chemical name: Bis{(1,3-Diethyl-4,5-dimethyl)imidazolylyliden}- (1,1,3,3-tetramethyldisiloxane-1,3-diolato)nitridotechnetium(V)
• Formula: C22 H44 N5 O3 Si2 Tc
• Calculated formula: C22 H44 N5 O3 Si2 Tc
• SMILES: [Tc]1(#N)(=C2N(C(=C(N2CC)C)C)CC)(=C2N(C(=C(N2CC)C)C)CC)O[Si](O[Si](O1)(C)C)(C)C
• Title of publication: Nitridotechnetium(V) Complexes with N-Heterocyclic Carbenes and Unexpected (OSiMe2OSiMe2O)2-Coligands
• Authors of publication: Braband, Henrik; Abram, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3362
• a: 10.057 ± 0.002 Å
• b: 18.112 ± 0.003 Å
• c: 15.597 ± 0.003 Å
• α: 90°
• β: 95.44 ± 0.01°
• γ: 90°
• Cell volume: 2828.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0842
• 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