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Information card for entry 1517695
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Coordinates | 1517695.cif |
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Chemical name | Ethyl 2-(3-(2-(bis(ethylthio)methylidene)hydrazono)methylbutylidene) hydrazinecarbodithioato-nickel(II) |
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Formula | C13 H22 N4 Ni S4 |
Calculated formula | C13 H22 N4 Ni S4 |
SMILES | CCSC1=NN2[Ni]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 | 9.226 ± 0.001 Å |
b | 10.887 ± 0.0009 Å |
c | 10.889 ± 0.0012 Å |
α | 101.86 ± 0.008° |
β | 103.053 ± 0.008° |
γ | 112.758 ± 0.007° |
Cell volume | 928.83 ± 0.19 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 | 0.0558 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0596 |
Weighted residual factors for all reflections included in the refinement | 0.0672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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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