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Information card for entry 4318017
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Coordinates | 4318017.cif |
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Original paper (by DOI) | HTML |
Common name | Dimethylaminoethyltellurolato-chloro-(tris(n-propyl)phophine)palladium(II) |
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Formula | C13 H31 Cl N P Pd Te |
Calculated formula | C13 H31 Cl N P Pd Te |
SMILES | [Pd]1([Te]CC[N]1(C)C)(Cl)[P](CCC)(CCC)CCC |
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 | 8.413 ± 0.002 Å |
b | 10.709 ± 0.003 Å |
c | 11.406 ± 0.003 Å |
α | 74.096 ± 0.017° |
β | 85.768 ± 0.018° |
γ | 72.795 ± 0.019° |
Cell volume | 944 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4318017.html
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Users of the data should acknowledge the original authors of the
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