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Information card for entry 1517696
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Coordinates | 1517696.cif |
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Chemical name | Ethyl 2-(3-(2-((bis(ethylthio)methylidene)hydrazono)methylbutylidene) hydrazinecarbodithioato-palladium(II) |
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Formula | C13 H22 N4 Pd S4 |
Calculated formula | C13 H22 N4 Pd S4 |
SMILES | CCSC1=NN2[Pd]3([N](=C(C=C2C)C)N=C(SCC)S3)[S]1CC |
Title of publication | Ring to open-chain transformation induced by selective metal coordination in a new dithiocarbazate ligand |
Authors of publication | Roberto Centore; Reza Takjoo; Amedeo Capobianco; Andrea Peluso |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 404 |
Pages of publication | 29 - 33 |
a | 9.187 ± 0.0009 Å |
b | 10.644 ± 0.0009 Å |
c | 11.177 ± 0.0005 Å |
α | 101.178 ± 0.005° |
β | 103.003 ± 0.004° |
γ | 112.164 ± 0.007° |
Cell volume | 938.01 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0632 |
Weighted residual factors for all reflections included in the refinement | 0.0699 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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