Information card for entry 7032824

Structure parameters

• Formula: C31 H43 Cl2 Fe N5
• Calculated formula: C31 H43 Cl2 Fe N5
• 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: 14.5749 ± 0.0007 Å
• b: 16.7758 ± 0.0009 Å
• c: 12.7588 ± 0.0008 Å
• α: 90°
• β: 93.857 ± 0.002°
• γ: 90°
• Cell volume: 3112.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No