Information card for entry 7117277

Structure parameters

• Formula: C38 H28 Co N4 O4
• Calculated formula: C38 H28 Co N4 O4
• SMILES: [Co]123n4c5=Cc6c(c(c(=Cc7n1c(cc7)C(=c1[n]2c(C(=c4cc5)c2ccccc2)cc1)c1ccccc1)[n]36)C(=O)OCC)C(=O)OCC
• Title of publication: Tuning the thermodynamic onset potential of electrocatalytic O2 reduction reaction by synthetic iron-porphyrin complexes
• Authors of publication: Sk Amanullah; Pradip Kumar Das; Subhra Samanta; Abhishek Dey
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10010
• a: 9.3634 ± 0.0015 Å
• b: 21.379 ± 0.003 Å
• c: 15.2 ± 0.002 Å
• α: 90°
• β: 101.912 ± 0.002°
• γ: 90°
• Cell volume: 2977.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No