Information card for entry 7700863

Structure parameters

• Common name: feoetppsbcl6
• Formula: C61 H62 Cl9 Fe N4 Sb
• Calculated formula: C61 H62 Cl9 Fe N4 Sb
• Title of publication: Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations.
• Authors of publication: Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13820 - 13833
• a: 17.4501 ± 0.0008 Å
• b: 18.5354 ± 0.001 Å
• c: 21.6356 ± 0.0012 Å
• α: 90°
• β: 106.174 ± 0.002°
• γ: 90°
• Cell volume: 6720.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2894
• Weighted residual factors for all reflections included in the refinement: 0.3407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No