Information card for entry 7707869

Structure parameters

• Formula: C96 H108 Fe2 K2 N8 O9 P6
• Calculated formula: C96 H108 Fe2 K2 N8 O9 P6
• 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: 14.8465 ± 0.0013 Å
• b: 14.8465 ± 0.0013 Å
• c: 85.868 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16391 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No