Information card for entry 2200858

Structure parameters

• Chemical name: 2,6,12,16-Tetraaza-1,7,11,17-tetraoxacycloicosane-diaquanickel(II) dichloride
• Formula: C12 H32 Cl2 N4 Ni O6
• Calculated formula: C12 H32 Cl2 N4 Ni O6
• Title of publication: Further refinement of diaqua(1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-<i>N,N</i>',<i>N</i>'',<i>N</i>''')nickel(II) dichloride
• Authors of publication: Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m74 - m76
• a: 7.4288 ± 0.0003 Å
• b: 13.1426 ± 0.0005 Å
• c: 10.2527 ± 0.0003 Å
• α: 90°
• β: 102.248 ± 0.0018°
• γ: 90°
• Cell volume: 978.23 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes