Information card for entry 7704007

Structure parameters

• Formula: C49 H89 B2 Cl2 Co4.5 N17 O6 S6 W2
• Calculated formula: C49 H89 B2 Cl2 Co4.5 N17 O6 S6 W2
• Title of publication: Templated syntheses of heterometal tungsten-cobalt-sulfur clusters with different nuclearities.
• Authors of publication: Guo, Jia-Ting; Chen, Xu-Dong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5523 - 5530
• a: 11.9709 ± 0.0003 Å
• b: 17.0437 ± 0.0003 Å
• c: 20.5403 ± 0.0004 Å
• α: 112.024 ± 0.002°
• β: 95.703 ± 0.002°
• γ: 100.406 ± 0.002°
• Cell volume: 3756.37 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No