Information card for entry 4519392

Structure parameters

• Formula: C53 H59 Cl2 Co N4 O2 Zn
• Calculated formula: C53 H59 Cl2 Co N4 O2 Zn
• SMILES: [Zn]1(Oc2ccccc2)(N(N=C(c2ccc(C)cc2)N=[N]1c1ccccc1)c1ccccc1)Oc1ccccc1.[Co]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.ClCCl
• Title of publication: Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand
• Authors of publication: de Vries, Folkert; Otten, Edwin
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 4125 - 4130
• a: 10.7552 ± 0.0003 Å
• b: 11.5789 ± 0.0003 Å
• c: 21.0514 ± 0.0005 Å
• α: 103.464 ± 0.001°
• β: 93.118 ± 0.001°
• γ: 103.01 ± 0.001°
• Cell volume: 2468.27 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No