Information card for entry 2007326

Structure parameters

• Chemical name: Chloro(1,4,8,12- tetraazacyclopentadecane-N,N',N'',N''')zinc(II) Perchlorate
• Formula: C11 H26 Cl2 N4 O4 Zn
• Calculated formula: C11 H26 Cl2 N4 O4 Zn
• SMILES: [Zn]123(Cl)[NH]4CCC[NH]1CCC[NH]2CCC[NH]3CC4.Cl(=O)(=O)(=O)[O-]
• Title of publication: Chloro(1,4,8,12-tetraazacyclopentadecane-κ^4^<i>N</i>)zinc(II) Perchlorate
• Authors of publication: Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Pariya, Chandi; Liao, Fen-Ling; Chung, Chung-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 712 - 714
• a: 9.8504 ± 0.0007 Å
• b: 15.1177 ± 0.001 Å
• c: 11.9574 ± 0.0008 Å
• α: 90°
• β: 95.831 ± 0.001°
• γ: 90°
• Cell volume: 1771.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.112
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No