Information card for entry 7044633

Structure parameters

• Formula: C34 H40 Cl2 Co N3 O
• Calculated formula: C34 H40 Cl2 Co N3 O
• SMILES: [Co]12(Oc3ccccc3)[n]3c(cccc3C(N2c2c(cccc2C)C)(C)C)C(N1c1c(cccc1C)C)(C)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: 12.7562 ± 0.0008 Å
• b: 18.4663 ± 0.0014 Å
• c: 14.9532 ± 0.001 Å
• α: 90°
• β: 98.221 ± 0.002°
• γ: 90°
• Cell volume: 3486.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0883
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No