Information card for entry 1542488

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethan-1-aminium}dichloridozinc(II)
• Formula: C6 H16 Cl2 N2 O2 S2 Zn
• Calculated formula: C6 H16 Cl2 N2 O2 S2 Zn
• SMILES: [Zn](Cl)(Cl)([NH2]CCSSCC[NH3+])OC(=O)C
• Title of publication: (Acetato-κ<i>O</i>){2-[(2-aminoethyl-κ<i>N</i>)disulfanyl]ethanaminium}dichloridozinc(II)
• Authors of publication: Kuwamura, Naoto; Laskar, Payel; Konno, Takumi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160105
• a: 6.907 ± 0.004 Å
• b: 10.32 ± 0.007 Å
• c: 10.707 ± 0.007 Å
• α: 68.331 ± 0.014°
• β: 81.936 ± 0.015°
• γ: 71.917 ± 0.012°
• Cell volume: 673.9 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes