Information card for entry 7044632

Structure parameters

• Formula: C28 H36 Cl2 Co N3 O
• Calculated formula: C28 H36 Cl2 Co N3 O
• SMILES: [Co]12(O)N(C(c3[n]1c(ccc3)C(N2c1c(cccc1C)C)(C)C)(C)C)c1c(cccc1C)C.ClCCl
• Title of publication: Coordinatively- and Electronically-Unsaturated Square Planar Cobalt(III) Complexes of a Pyridine Dianionic Pincer Ligand
• Authors of publication: Hana, Faidh; Lough, Alan; Lavoie, Gino G.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 8.672 ± 0.0005 Å
• b: 14.1009 ± 0.0008 Å
• c: 22.5819 ± 0.0015 Å
• α: 90°
• β: 96.143 ± 0.002°
• γ: 90°
• Cell volume: 2745.5 ± 0.3 ų
• Cell temperature: 99.6 K
• Ambient diffraction temperature: 99.6 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0872
• 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: No
• Has Fobs: No