Information card for entry 1517695

Structure parameters

• Chemical name: Ethyl 2-(3-(2-(bis(ethylthio)methylidene)hydrazono)methylbutylidene) hydrazinecarbodithioato-nickel(II)
• 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 ų
• 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