Information card for entry 7122748

Structure parameters

• Formula: C48 H80 Cd2 Co4 N8 O26 S8
• Calculated formula: C48 H80 Cd2 Co4 N8 O26 S8
• 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: 14.7082 ± 0.0011 Å
• b: 15.4846 ± 0.0012 Å
• c: 15.6106 ± 0.0012 Å
• α: 90°
• β: 99.087 ± 0.007°
• γ: 90°
• Cell volume: 3510.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No