Information card for entry 7705182

Structure parameters

• Formula: C64 H86 Cl2 Fe2 N4 O
• Calculated formula: C64 H86 Cl2 Fe2 N4 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: 10.1107 ± 0.0007 Å
• b: 13.5638 ± 0.0009 Å
• c: 13.8531 ± 0.001 Å
• α: 61.794 ± 0.003°
• β: 68.888 ± 0.003°
• γ: 79.987 ± 0.004°
• Cell volume: 1561.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No