Information card for entry 7004333

Structure parameters

• Formula: C20.4 H47.6 N13.6 Ni O46.2 Si W11
• Calculated formula: C20.4 H33.2 N13.6 Ni O46.2 Si W11
• Title of publication: 3D-transition metal mono-substituted Keggin polyoxotungstate with an antenna molecule: synthesis, structure and characterization
• Authors of publication: Liu, Hongsheng; Gómez-García, Carlos J.; Peng, Jun; Sha, Jingquan; Li, Yangguang; Yan, Yechao
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6211 - 6218
• a: 12.117 ± 0.002 Å
• b: 12.745 ± 0.003 Å
• c: 21.917 ± 0.004 Å
• α: 82.21 ± 0.03°
• β: 77.22 ± 0.03°
• γ: 70.75 ± 0.03°
• Cell volume: 3109.1 ± 1.2 ų
• Cell temperature: 466 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No