Information card for entry 2021321

Structure parameters

• Formula: C18 H88 B3 Ba9 Co3 N6 O155 W33
• Calculated formula: C18 H12 B3 Ba8 Co3 N6 O154 W33
• Title of publication: Targeted synthesis of a polypyridyl polyoxometalate coordination complex using microwave-assisted reaction conditions
• Authors of publication: Xu, Jingjing; Gable, Robert W.; Ritchie, Chris
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 22.1764 ± 0.0011 Å
• b: 38.1422 ± 0.0019 Å
• c: 23.9668 ± 0.0015 Å
• α: 90°
• β: 114.657 ± 0.007°
• γ: 90°
• Cell volume: 18424 ± 2 ų
• Cell temperature: 129.97 ± 0.1 K
• Ambient diffraction temperature: 129.97 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1933
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.2947
• Weighted residual factors for all reflections included in the refinement: 0.3339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes