Information card for entry 7015938

Structure parameters

• Formula: C81 H86 Cl4 F3 Fe N15 O28
• Calculated formula: C81 H86 Cl4 F3 Fe N15 O28
• Title of publication: Discriminating octahedral transition metal ions: highly selective tripodal tris-(2,2'-bipyridine) functionalized piperazine cyclophane receptor for Cu(2+) ions.
• Authors of publication: Raatikainen, Kari; Huuskonen, Juhani; Rissanen, Kari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5706 - 5710
• a: 13.6922 ± 0.0014 Å
• b: 18.3992 ± 0.0014 Å
• c: 19.312 ± 0.002 Å
• α: 110.059 ± 0.004°
• β: 91.044 ± 0.006°
• γ: 94.961 ± 0.006°
• Cell volume: 4547 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1969
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.2774
• Weighted residual factors for all reflections included in the refinement: 0.3305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No