Information card for entry 7111821

Structure parameters

• Formula: C162 H132 Cl7 Fe4 N24 O34
• Calculated formula: C162 H132 Cl7 Fe4 N24 O34
• 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: 20.7761 ± 0.0016 Å
• b: 40.516 ± 0.003 Å
• c: 41.967 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35326 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 39
• Hermann-Mauguin space group symbol: A b m 2
• Hall space group symbol: A 2 -2b
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No