Information card for entry 4501899

Structure parameters

• Formula: C18 H31 Mo12 N24 Ni O40 P S6
• Calculated formula: C18 H30 Mo12 N24 Ni O40.04 P S6
• Title of publication: Influence of Transition Metal Coordination Nature on the Assembly of Multinuclear Subunits in Polyoxometalates-Based Compounds
• Authors of publication: Wang, Xiu-li; Hu, Hai-liang; Tian, Ai-xiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4786
• a: 11.666 ± 0.0006 Å
• b: 11.666 ± 0.0006 Å
• c: 41.825 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4929.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No