Information card for entry 7004968

Structure parameters

• Formula: C103 H89 F24 Fe2 N14 P4
• Calculated formula: C103 H89 F24 Fe2 N14 P4
• Title of publication: Enantiomeric resolution of supramolecular helicates with different surface topographies.
• Authors of publication: Kerckhoffs, Jessica M. C. A.; Peberdy, Jemma C.; Meistermann, Isabelle; Childs, Laura J.; Isaac, Christian J.; Pearmund, Christopher R.; Reudegger, Veronika; Khalid, Syma; Alcock, Nathaniel W.; Hannon, Michael J.; Rodger, Alison
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 734 - 742
• a: 27.1086 ± 0.0004 Å
• b: 10.4113 ± 0.0002 Å
• c: 17.4684 ± 0.0003 Å
• α: 90°
• β: 95.292 ± 0.002°
• γ: 90°
• Cell volume: 4909.19 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No