Information card for entry 4344533

Structure parameters

• Formula: C28 H44 Cl2 Co N4 O15
• Calculated formula: C28 H44 Cl2 Co N4 O15
• SMILES: [Co]123([O]=C(Nc4c(cccc4)OC)[C@H](C)[N]1(C)CC[N]2(C)[C@@H](C)C(=[O]3)Nc1ccccc1OC)([O]=C(C)OCC)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 8.8735 ± 0.0011 Å
• b: 23.381 ± 0.003 Å
• c: 8.9575 ± 0.0011 Å
• α: 90°
• β: 104.464 ± 0.003°
• γ: 90°
• Cell volume: 1799.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No