Information card for entry 2021375

Structure parameters

• Chemical name: benzene-1,3-diaminium tetrachloridozincate(II)
• Formula: C6 H10 Cl4 N2 Zn
• Calculated formula: C6 H10 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH3+]c1cc([NH3+])ccc1
• Title of publication: Charge-assisted hydrogen bonding in three diaminobenzene salts
• Authors of publication: Zick, Patricia L.; Geiger, David K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 14.007 ± 0.0011 Å
• b: 11.6085 ± 0.0009 Å
• c: 7.2286 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1175.37 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes