Information card for entry 7017245

Structure parameters

• Formula: C114.5 H125.75 F24 N13.75 Ni2 O11.5 P4
• Calculated formula: C114.5 H125.25 F24 N13.75 Ni2 O11.5 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: 26.028 ± 0.002 Å
• b: 22.745 ± 0.0017 Å
• c: 21.466 ± 0.0016 Å
• α: 90°
• β: 113.663 ± 0.002°
• γ: 90°
• Cell volume: 11639.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.49594 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No