Information card for entry 7008576

Structure parameters

• Common name: nickel(ii)3-hydroxypropylcyclam diperchlorate
• Chemical name: nickel(II)3-hydroxypropylcyclam diperchlorate
• Formula: C23 H50 Cl5 N4 Ni O12.5
• Calculated formula: C23 H49 Cl5 N4 Ni O12.5
• Title of publication: Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.
• Authors of publication: Channa, Asif; Steed, Jonathan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2455 - 2461
• a: 9.714 ± 0.0011 Å
• b: 10.3555 ± 0.0007 Å
• c: 18.0585 ± 0.0013 Å
• α: 101.519 ± 0.005°
• β: 104.52 ± 0.005°
• γ: 100.024 ± 0.005°
• Cell volume: 1674.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No