Information card for entry 4318018

Structure parameters

• Common name: Diphenylmethylphosphine chloro 2(N,N-dimethylamino)ethyltellurato palladium(II)
• Formula: C17 H23 Cl N P Pd Te
• Calculated formula: C17 H23 Cl N P Pd Te
• SMILES: [Pd]1([Te]CC[N]1(C)C)([P](C)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Structural Basis for Unusually Long Wavelength Charge Transfer Transitions in Complexes [MCl(ECH2CH2NMe2)(PR3)] (E = Te, Se; M = Pt, Pd): Experimental Results and TD-DFT Calculations
• Authors of publication: Sandip Dey; Vimal K. Jain; Axel Knödler; Axel Klein; Wolfgang Kaim; Stanislav Záliš
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2864 - 2870
• a: 11.627 ± 0.002 Å
• b: 13.388 ± 0.003 Å
• c: 11.859 ± 0.002 Å
• α: 90°
• β: 106.88 ± 0.03°
• γ: 90°
• Cell volume: 1766.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No