Information card for entry 7701733

Structure parameters

• Formula: C37 H23 Cl3 Fe N6 O2
• Calculated formula: C37 H23 Cl3 Fe N6 O2
• Title of publication: Ligand mixed-valence and electrical conductivity in coordination complexes containing a redox-active phenalenol-substituted ligand.
• Authors of publication: Dale, Sarah; Bonanno, Nico M.; Pelaccia, Mark; Lough, Alan J.; Miyawaki, Atsuhiro; Takahashi, Kazuyuki; Lemaire, Martin T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8053 - 8056
• a: 8.9729 ± 0.0016 Å
• b: 15.308 ± 0.003 Å
• c: 15.837 ± 0.003 Å
• α: 63.208 ± 0.005°
• β: 83.982 ± 0.005°
• γ: 77.463 ± 0.005°
• Cell volume: 1895.4 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No