Information card for entry 2241741

Structure parameters

• Common name: C6H8N2ZnCl2
• Chemical name: (Benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloroidozinc
• Formula: C6 H8 Cl2 N2 Zn
• Calculated formula: C6 H8 Cl2 N2 Zn
• SMILES: c12c(cccc1)[NH2][Zn]([NH2]2)(Cl)Cl
• Title of publication: Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt
• Authors of publication: Zick, Patricia L.; Geiger, David K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 1037 - 1042
• a: 8.4039 ± 0.0009 Å
• b: 7.5206 ± 0.0007 Å
• c: 14.1667 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 895.37 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes