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Information card for entry 2102685
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Coordinates | 2102685.cif |
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Original IUCr paper | HTML |
Common name | Palladium diethylphenylazothioformaide |
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Chemical name | Trans-(di(N,N-diethyl-(2-phenyldiazenyl)thioformamide-κS,κN^2^))palladium |
Formula | C22 H30 N6 Pd S2 |
Calculated formula | C22 H30 N6 Pd S2 |
SMILES | c1ccccc1[N]1[Pd]2([S]=C(N=1)N(CC)CC)[S]=C(N=[N]2c1ccccc1)N(CC)CC |
Title of publication | Structural study of four complexes of the <i>M</i>-N~2~S~2~ type derived from diethylphenylazothioformamide and the metals palladium, platinum, copper and nickel |
Authors of publication | Nielsen, Kim T.; Harris, Pernille; Bechgaard, Klaus; Krebs, Frederik C. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | 151 - 156 |
a | 16.036 ± 0.0016 Å |
b | 12.4564 ± 0.0013 Å |
c | 12.3311 ± 0.0012 Å |
α | 90° |
β | 100.952 ± 0.002° |
γ | 90° |
Cell volume | 2418.3 ± 0.4 Å3 |
Cell temperature | 118 K |
Ambient diffraction temperature | 118 K |
Number of distinct elements | 5 |
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 | 0.0604 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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