Information card for entry 4501897

Structure parameters

• Formula: C18 H30 Cu3 Mo12 N24 O40 P S6
• Calculated formula: C18 H30 Cu3 Mo12 N24 O40 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: 18.9871 ± 0.0007 Å
• b: 21.7357 ± 0.0008 Å
• c: 15.74 ± 0.0006 Å
• α: 90°
• β: 96.366 ± 0.001°
• γ: 90°
• Cell volume: 6455.8 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No