Information card for entry 7122750

Structure parameters

• Formula: C36 H60 Br3 Cd3 Co3 N6 O21 S6
• Calculated formula: C36 H60 Br3 Cd3 Co3 N6 O21 S6
• Title of publication: Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring
• Authors of publication: Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 11.0409 ± 0.0017 Å
• b: 24.93 ± 0.004 Å
• c: 22.688 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6244.9 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No