Information card for entry 7111820

Structure parameters

• Formula: C90.21 H73.84 Cl4 Fe2 N15.97 O19.33
• Calculated formula: C90.211 H73.838 Cl4 Fe2 N15.965 O19.331
• Title of publication: Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates
• Authors of publication: Michael C. Young; Amber M. Johnson; Richard J. Hooley
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1378
• a: 10.9347 ± 0.0003 Å
• b: 19.6886 ± 0.0005 Å
• c: 22.396 ± 0.0006 Å
• α: 110.01 ± 0.001°
• β: 96.481 ± 0.001°
• γ: 104.184 ± 0.001°
• Cell volume: 4288.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No