Information card for entry 7705184

Structure parameters

• Formula: C60 H76 Fe N4
• Calculated formula: C60 H76 Fe N4
• Title of publication: Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.
• Authors of publication: Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12287 - 12297
• a: 18.114 ± 0.002 Å
• b: 20.701 ± 0.002 Å
• c: 33.7 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12637 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No