Information card for entry 7705756

Structure parameters

• Formula: C78 H129 Co11 N16 O56 S8
• Calculated formula: C78 H129 Co11 N16 O56 S8
• Title of publication: The dominance of sulfate over two organic ligands in the solvothermal assembly of an undecanuclear cobaltous cluster: crystallography and mass spectrometry.
• Authors of publication: Jiang, Li-Ping; Kurmoo, Mohamedally; Zeng, Ming-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17683 - 17688
• a: 24.5656 ± 0.0012 Å
• b: 20.2178 ± 0.0006 Å
• c: 27.3542 ± 0.0013 Å
• α: 90°
• β: 119.282 ± 0.006°
• γ: 90°
• Cell volume: 11849.8 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No