Information card for entry 7707872

Structure parameters

• Formula: C49 H49 Fe K N5 O3 P3
• Calculated formula: C49 H49 Fe K N5 O3 P3
• Title of publication: Investigation of iron-ammine and amido complexes within a C₃-symmetrical phosphinic amido tripodal ligand.
• Authors of publication: Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11197 - 11205
• a: 14.8454 ± 0.001 Å
• b: 17.4775 ± 0.0011 Å
• c: 19.4608 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5049.3 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No