Information card for entry 7701734

Structure parameters

• Formula: C37 H23 Cl3 Co N6 O2
• Calculated formula: C37 H23 Cl3 Co 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: 8.8117 ± 0.0004 Å
• b: 15.1002 ± 0.0008 Å
• c: 15.6455 ± 0.0008 Å
• α: 63.634 ± 0.001°
• β: 83.957 ± 0.002°
• γ: 78.009 ± 0.002°
• Cell volume: 1824.31 ± 0.16 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: 0.0848
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No