Information card for entry 4344535

Structure parameters

• Formula: C30 H44 Co F3 N4 O10 S
• Calculated formula: C30 H44 Co F3 N4 O10 S
• SMILES: [Co]12345N(c6c(ccc(c6)OC)[O]4C)C(=O)[C@H](C)[N]1(C)CC[N]2(C)[C@@H](C)C(=O)N3c1cc(ccc1[O]5C)OC.S(=O)(=O)([O-])C(F)(F)F.OC(C)C
• Title of publication: Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.
• Authors of publication: Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 633 - 643
• a: 9.3116 ± 0.0013 Å
• b: 14.853 ± 0.0019 Å
• c: 12.8247 ± 0.0019 Å
• α: 90°
• β: 106.387 ± 0.003°
• γ: 90°
• Cell volume: 1701.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0326
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No