Information card for entry 7718920

Structure parameters

• Formula: C45 H63 Fe K N4 O15
• Calculated formula: C45 H63 Fe K N4 O15
• Title of publication: Assessing structure and dynamics of iron complexes supported by tris(amidate)amine ligands.
• Authors of publication: Huffman, Lucy S. X.; Seshadri, Anjana; Hastings, Christopher D.; Brennessel, William W.; Franco, Ignacio; Barnett, Brandon R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 27
• Pages of publication: 10719 - 10724
• a: 10.52253 ± 0.00005 Å
• b: 20.51441 ± 0.00012 Å
• c: 21.90377 ± 0.00012 Å
• α: 90°
• β: 91.7336 ± 0.0004°
• γ: 90°
• Cell volume: 4726.06 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No