Information card for entry 4348635

Structure parameters

• Formula: C73 H159 Br Cr Mo6 N5 O25
• Calculated formula: C73 H159 Br Cr Mo6 N5 O25
• SMILES: [Cr]12345[O]67[Mo]89(O[Mo]%106(=O)(=O)[OH]3[Mo]3(O[Mo]6%11(=O)(=O)O[Mo]%12(=O)(O[Mo](=O)([O]1%12CC(C7)(c1ccncc1)C[O]53%11)(=O)(O8)[OH]29)(=O)[OH]46)(=O)(=O)O%10)(=O)=O.[Br-].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• Title of publication: Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties.
• Authors of publication: Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8257 - 8259
• a: 16.2547 ± 0.0015 Å
• b: 26.168 ± 0.002 Å
• c: 22.5135 ± 0.0019 Å
• α: 90°
• β: 93.339 ± 0.001°
• γ: 90°
• Cell volume: 9559.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No