Information card for entry 7715714

Structure parameters

• Formula: C24 H27 Cl2 Co N7 O10
• Calculated formula: C24 H27 Cl2 Co N7 O10
• SMILES: [Co]123([n]4c(C(=N2=O)C)cccc4N(c2ccccc2[NH+](C)C)c2[n]1c(ccc2)C(=[N]3O)C)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Exploring the effect of a pendent amine group poised over the secondary coordination sphere of a cobalt complex on the electrocatalytic hydrogen evolution reaction.
• Authors of publication: Ali, Afsar; Verma, Rajaneesh Kumar; Das, Avijit; Paria, Sayantan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8289 - 8297
• a: 22.7738 ± 0.0014 Å
• b: 8.1597 ± 0.0005 Å
• c: 15.4972 ± 0.0008 Å
• α: 90°
• β: 93.142 ± 0.002°
• γ: 90°
• Cell volume: 2875.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No