Information card for entry 7705187

Structure parameters

• Formula: C34 H48 Cl2 Fe N2 O
• Calculated formula: C34 H48 Cl2 Fe N2 O
• 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: 10.2114 ± 0.0004 Å
• b: 17.4996 ± 0.0009 Å
• c: 10.215 ± 0.0006 Å
• α: 90°
• β: 110.721 ± 0.002°
• γ: 90°
• Cell volume: 1707.3 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No