Information card for entry 2006897

Structure parameters

• Chemical name: Chloro (1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''') Zinc(II) Perchlorate
• Formula: C10 H24 Cl2 N4 O4 Zn
• Calculated formula: C10 H24 Cl2 N4 O4 Zn
• SMILES: [Zn]123(Cl)[NH]4CCC[NH]1CC[NH]2CC[NH]3CCC4.Cl(=O)(=O)(=O)[O-]
• Title of publication: Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate
• Authors of publication: Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1780 - 1782
• a: 13.716 ± 0.001 Å
• b: 14.969 ± 0.003 Å
• c: 15.925 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3269.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.137
• Goodness-of-fit parameter for all reflections: 0.936
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No