Information card for entry 7718918

Structure parameters

• Formula: C39 H52 Cl6 Fe N5 O10
• Calculated formula: C39 H52 Cl6 Fe N5 O10
• 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: 12.5162 ± 0.0002 Å
• b: 13.9489 ± 0.0003 Å
• c: 26.6627 ± 0.0004 Å
• α: 90°
• β: 95.12 ± 0.002°
• γ: 90°
• Cell volume: 4636.39 ± 0.14 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No