Information card for entry 7023897

Structure parameters

• Formula: C12 H60 N9 Ni6 O66.5 P2 W15
• Calculated formula: C12 N9 Ni6 O66.5 P2 W15
• Title of publication: Hexa-substituted polyoxometalates made of trivacant Dawson {P2W15} fragments and {Ni6} clusters under hydrothermal conditions.
• Authors of publication: Liu, Yong-Chao; Fu, Chun-Hua; Zheng, Shou-Tian; Zhao, Jun-Wei; Yang, Guo-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16676 - 16679
• a: 14.85 ± 0.005 Å
• b: 17.906 ± 0.006 Å
• c: 28.881 ± 0.01 Å
• α: 90°
• β: 95.649 ± 0.005°
• γ: 90°
• Cell volume: 7642 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1242
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No