Information card for entry 7713392

Structure parameters

• Formula: C40 H36 Cl Co N4 O8.5
• Calculated formula: C40 H33 Cl Co N4 O8.5
• SMILES: [Co]1234(OC5C(=[O]1)c1c(OC=5c5ccccc5)cccc1)[n]1ccccc1C[N]2(Cc1ccccc1)Cc1[n]3c(c2[n]4c(C)ccc2)ccc1.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Flavonol dioxygenation catalysed by cobalt(II) complexes supported with 3N(COO) and 4N donor ligands: a comparative study to assess the carboxylate effects on quercetin 2,4-dioxygenase-like reactivity
• Authors of publication: Podder, Nirmalya; Saha, Anannya; Barman, Suman K.; Mandal, Sukanta
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.329 ± 0.009 Å
• b: 12.326 ± 0.01 Å
• c: 15.02 ± 0.012 Å
• α: 93.25 ± 0.02°
• β: 104.03 ± 0.02°
• γ: 105.307 ± 0.018°
• Cell volume: 1946 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No