Information card for entry 7128413

Structure parameters

• Formula: C12 H15.33 Co1.67 N2 O9.33 S
• Calculated formula: C12 H8 Co1.66667 N2 O9.33317 S
• Title of publication: A pentanuclear {Co₅} cluster motif forming a capped breathing kagomé lattice.
• Authors of publication: Du, Shaowu; Cui, Meiyan; He, Zhangzhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 54
• Pages of publication: 6616 - 6619
• a: 15.469 ± 0.004 Å
• b: 15.469 ± 0.004 Å
• c: 14.15 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2932.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No