Information card for entry 7718917

Structure parameters

• Formula: C48 H63 F Fe K N6 O15
• Calculated formula: C48 H63 F Fe K N6 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: 15.9303 ± 0.0003 Å
• b: 12.0821 ± 0.0003 Å
• c: 26.5119 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5102.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No