Information card for entry 7707871

Structure parameters

• Formula: C62 H85 Cl4 Fe K N7 O9 P3
• Calculated formula: C62 H85 Cl4 Fe K N7 O9 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: 14.6635 ± 0.0007 Å
• b: 14.861 ± 0.0007 Å
• c: 18.8343 ± 0.0009 Å
• α: 101.951 ± 0.0007°
• β: 98.9294 ± 0.0007°
• γ: 118.787 ± 0.0007°
• Cell volume: 3360 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No