Information card for entry 7703688

Structure parameters

• Formula: C18 H11 Cl3 Co N4
• Calculated formula: C18 H11 Cl3 Co N4
• SMILES: [Co]12(Cl)(Cl)[n]3c(N=[N]1c1ccc(Cl)cc1)ccc1c3c3[n]2cccc3cc1
• Title of publication: Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.
• Authors of publication: Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8448 - 8459
• a: 8.9454 ± 0.0009 Å
• b: 9.7562 ± 0.0009 Å
• c: 10.7268 ± 0.001 Å
• α: 89.496 ± 0.004°
• β: 87.482 ± 0.005°
• γ: 71.661 ± 0.004°
• Cell volume: 887.74 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No