Information card for entry 7126094

Structure parameters

• Formula: C26 H48 Co8 K N8 O12 S2
• Calculated formula: C26 H54 Co8 N8 O12 S3
• Title of publication: Tetrahedral μ₄-chloride and in situ generated octahedral μ₆-sulfide templating Co₈ complexes with different distortions of the cube.
• Authors of publication: Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 30
• Pages of publication: 4236 - 4239
• a: 13.4577 ± 0.0003 Å
• b: 13.4577 ± 0.0003 Å
• c: 20.3224 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3187.48 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No