Information card for entry 7004217

Structure parameters

• Formula: C50 H77 Fe N3 O4.5
• Calculated formula: C50 H77 Fe N3 O4.5
• Title of publication: Synthesis, structures and catalytic properties of iron(iii) complexes with asymmetric N-capped tripodal NO3 ligands and a pentadentate N2O3 ligand
• Authors of publication: Tong, Lok H.; Wong, Yee-Lok; Pascu, Sofia I.; Dilworth, Jonathan R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4784 - 4791
• a: 14.3625 ± 0.0002 Å
• b: 13.6632 ± 0.0002 Å
• c: 26.7778 ± 0.0004 Å
• α: 90°
• β: 100.883 ± 0.0005°
• γ: 90°
• Cell volume: 5160.31 ± 0.13 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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: 0.1315
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No