Information card for entry 7705241

Structure parameters

• Formula: C23 H29 Cl2 Co N5 O4 S2
• Calculated formula: C23 H29 Cl2 Co N5 O4 S2
• SMILES: [Co]12(Cl)(Cl)[n]3c(C(=O)N1c1cc[n+](cc1)C)cccc3C(=O)N2c1cc[n+](cc1)C.S(=O)(C)C.S(=O)(C)C
• Title of publication: Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.
• Authors of publication: Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12662 - 12673
• a: 20.8421 ± 0.0001 Å
• b: 13.9804 ± 0.0001 Å
• c: 19.0077 ± 0.0001 Å
• α: 90°
• β: 95.099 ± 0.001°
• γ: 90°
• Cell volume: 5516.56 ± 0.06 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No