Information card for entry 7122747

Structure parameters

• Formula: C72 H120 Br6 Cd6 Co6 N12 O42 S12
• Calculated formula: C72 H120 Br6 Cd6 Co6 N12 O42 S12
• 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: 34.015 ± 0.013 Å
• b: 34.015 ± 0.013 Å
• c: 8.9339 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8952 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No