Information card for entry 7705183

Structure parameters

• Formula: C35 H43 Cl Fe N3
• Calculated formula: C35 H43 Cl Fe N3
• 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: 16.7942 ± 0.0019 Å
• b: 12.0222 ± 0.0013 Å
• c: 35.531 ± 0.005 Å
• α: 90°
• β: 91.82 ± 0.007°
• γ: 90°
• Cell volume: 7170.2 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No