Information card for entry 7707868

Structure parameters

• Formula: C44 H49 Fe N5 O3.5 P3
• Calculated formula: C43.9998 H45 Fe N5 O3.5 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: 17.252 ± 0.0006 Å
• b: 17.252 ± 0.0006 Å
• c: 8.2626 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2129.74 ± 0.13 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No