Information card for entry 7032828

Structure parameters

• Formula: C41 H55 F6 Fe N7 O7 S2
• Calculated formula: C41 H55 F6 Fe N7 O7 S2
• Title of publication: Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.
• Authors of publication: Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 16992 - 16995
• a: 13.3678 ± 0.0005 Å
• b: 17.3124 ± 0.0007 Å
• c: 20.3828 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4717.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No