Information card for entry 4344539

Structure parameters

• Formula: C25 H33 Cl4 Co N4 O6 S2
• Calculated formula: C25 H33 Cl4 Co N4 O6 S2
• SMILES: [Co]12345N(c6c(cccc6)[S]4C)C(=O)[C@H](C)[N]1(C)CC[N]2(C)[C@@H](C)C(=O)N3c1ccccc1[S]5C.Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl
• 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: 14.1722 ± 0.0011 Å
• b: 14.4565 ± 0.0011 Å
• c: 15.2586 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3126.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No