Information card for entry 1517694

Structure parameters

• Chemical name: Ethyl 5-(2-(bis(ethylthio)methylidene)hydrazino)-3,5-dimethyl- 2-pyrazoline-1-carbodithioate
• Formula: C13 H24 N4 S4
• Calculated formula: C13 H24 N4 S4
• SMILES: CCSC(=N\NC1(C)CC(=NN1C(=S)SCC)C)/SCC
• 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: 9.818 ± 0.003 Å
• b: 9.927 ± 0.0013 Å
• c: 10.167 ± 0.0017 Å
• α: 95.328 ± 0.014°
• β: 107.362 ± 0.016°
• γ: 91.174 ± 0.015°
• Cell volume: 940.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No