Information card for entry 7714871

Structure parameters

• Chemical name: Co(SS-cth)(phendiox)AsF6_78K
• Formula: C31 H47 As Co F6 N4 O2.5
• Calculated formula: C31 H44 As Co F6 N4 O2.5
• SMILES: [Co]1234([NH]5[C@H](CC([NH]2CC[NH]4[C@H](CC([NH]1CC5)(C)C)C)(C)C)C)Oc1c2c(cccc2)c2c(c1O3)cccc2.[As](F)(F)(F)([F-])(F)F.OCC
• Title of publication: Photo-induced valence tautomerism and polarization switching in mononuclear cobalt complexes with an enantiopure chiral ligand.
• Authors of publication: Xu, Wen-Huang; Huang, Yu-Bo; Zheng, Wen-Wei; Su, Sheng-Qun; Kanegawa, Shinji; Wu, Shu-Qi; Sato, Osamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2512 - 2516
• a: 9.51352 ± 0.0001 Å
• b: 11.92241 ± 0.00011 Å
• c: 30.335 ± 0.0003 Å
• α: 90°
• β: 93.7791 ± 0.0009°
• γ: 90°
• Cell volume: 3433.24 ± 0.06 ų
• Cell temperature: 78 K
• Ambient diffraction temperature: 78 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.4171 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No