Information card for entry 7241654

Structure parameters

• Formula: C32 H36 Co N2 O4 P2 S4
• Calculated formula: C32 H36 Co N2 O4 P2 S4
• SMILES: [Co]123([S]=P(S1)(OC(C)C)c1ccc(OC)cc1)([S]=P(S2)(OC(C)C)c1ccc(OC)cc1)[n]1c2c4[n]3cccc4ccc2ccc1
• Title of publication: Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies
• Authors of publication: Yusuf, Tunde L.; Quadri, Taiwo W.; Tolufashe, Gideon F.; Olasunkanmi, Lukman O.; Ebenso, Eno E.; van Zyl, Werner E.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 69
• Pages of publication: 41967 - 41982
• a: 10.8831 ± 0.0002 Å
• b: 12.4185 ± 0.0002 Å
• c: 14.1718 ± 0.0003 Å
• α: 91.535 ± 0.001°
• β: 97.539 ± 0.001°
• γ: 109.807 ± 0.001°
• Cell volume: 1781.23 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0346
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No