Information card for entry 7017246

Structure parameters

• Formula: C98.7 H97.05 F24 N13.95 Ni2 O9 P4
• Calculated formula: C98.7 H93.45 F24 N13.95 Ni2 O9 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: 14.9978 ± 0.0006 Å
• b: 15.0666 ± 0.0006 Å
• c: 25.7786 ± 0.0011 Å
• α: 91.398 ± 0.002°
• β: 104.152 ± 0.002°
• γ: 99.563 ± 0.002°
• Cell volume: 5556.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1094
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No