Information card for entry 2203293

Structure parameters

• Chemical name: bis[(3-Amino-5-methyl-isoxazole)-N-]zinc(II)dichloride
• Formula: C8 H12 Cl2 N4 O2 Zn
• Calculated formula: C8 H12 Cl2 N4 O2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1c(cc(C)o1)N)[n]1c(cc(C)o1)N
• Title of publication: Bis(3-amino-5-methylisoxazole-κ<i>N</i>)dichlorozinc(II)
• Authors of publication: Liang Shen; Mei Chao Li; Zhi Min Jin; Mao Lin Hu; Ri Cheng Xuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m330 - m331
• a: 13.105 ± 0.003 Å
• b: 14.054 ± 0.003 Å
• c: 14.344 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2641.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes