Information card for entry 7707870

Structure parameters

• Formula: C84 H84 B F4 Fe2 K N8 O6 P6
• Calculated formula: C84 H84 B F4 Fe2 K N8 O6 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: 14.409 ± 0.002 Å
• b: 16.274 ± 0.002 Å
• c: 18.382 ± 0.003 Å
• α: 93.3944 ± 0.0019°
• β: 90.1241 ± 0.0018°
• γ: 95.9266 ± 0.0017°
• Cell volume: 4279.7 ± 1.1 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2882
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No