Information card for entry 7017244

Structure parameters

• Formula: C94 H86.4 F24 N12 Ni2 O10.2 P4
• Calculated formula: C94 H80 F24 N12 Ni2 O10.2 P4
• Title of publication: Nickel(ii) and iron(ii) triple helicates assembled from expanded quaterpyridines incorporating flexible linkages.
• Authors of publication: Glasson, Christopher R. K.; Meehan, George V.; Motti, Cherie A.; Clegg, Jack K.; Turner, Peter; Jensen, Paul; Lindoy, Leonard F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12153 - 12159
• a: 23.08 ± 0.0016 Å
• b: 15.053 ± 0.0011 Å
• c: 32.656 ± 0.003 Å
• α: 90°
• β: 105.778 ± 0.004°
• γ: 90°
• Cell volume: 10918 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No