Information card for entry 2003166

Structure parameters

• Formula: C22 H48 Cl2 N6 Ni O8
• Calculated formula: C26.62 H58.08 Cl2.42 N7.26 Ni1.21 O10.292
• Title of publication: Four-component intergrowth structures of the metal-ion cage complexes <i>fac</i>-(1,5,9,13,20-pentamethyl-3,7,11,15,18,22-hexaazabicyclo[7.7.7]tricosane)<i>M</i>^II^ diperchlorate hydrate, [<i>M</i>(C~22~H~48~N~6~)](ClO~4~)~2~.<i>x</i>H~2~O, <i>M</i> = Ni, Zn
• Authors of publication: Haller, Kenneth J.; Rae, A. David; Bygott, Alexia M. T.; Hockless, David C. R.; Ralph, Stephen F.; Geue, Rodney J.; Sargeson, Alan M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 380 - 388
• a: 10.177 ± 0.001 Å
• b: 17.648 ± 0.002 Å
• c: 17.605 ± 0.002 Å
• α: 90°
• β: 99.7 ± 0.01°
• γ: 90°
• Cell volume: 3116.7 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.137
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for all reflections: 1.91
• Goodness-of-fit parameter for significantly intense reflections: 2.55
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes