Information card for entry 2243077

Structure parameters

• Chemical name: Diamminedichloridozinc
• Formula: Cl2 H6 N2 Zn
• Calculated formula: Cl2 H6 N2 Zn
• SMILES: [NH3][Zn](Cl)(Cl)[NH3]
• Title of publication: New refinement of the crystal structure of Zn(NH~3~)~2~Cl~2~ at 100K
• Authors of publication: Ivšić, Trpimir; Bi, David Wenhua; Magrez, Arnaud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• Pages of publication: 1386 - 1388
• a: 7.7077 ± 0.0002 Å
• b: 8.0226 ± 0.0002 Å
• c: 8.4526 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 522.67 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes