Information card for entry 2006895

Structure parameters

• Chemical name: (Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate
• Formula: C11 H27 Cl2 N5 Ni O8
• Calculated formula: C11 H27 Cl2 N5 Ni O8
• SMILES: [Ni]1234([NH]5CC[NH]1CC[NH]2CCC[NH]3CC[NH]4CC5)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: (1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate
• Authors of publication: Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; 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: 1778 - 1780
• a: 8.665 ± 0.003 Å
• b: 16.681 ± 0.002 Å
• c: 13.673 ± 0.004 Å
• α: 90°
• β: 98.49 ± 0.03°
• γ: 90°
• Cell volume: 1954.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.142
• Goodness-of-fit parameter for all reflections: 0.848
• Goodness-of-fit parameter for significantly intense reflections: 1.217
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No