Information card for entry 1562986

Structure parameters

• Formula: C58 H41 Cd2 Cl2 N10 O40 P W12
• Calculated formula: C58 H40 Cd2 Cl2 N10 O40 P W12
• SMILES: [W]1234([O]56[W]78(O[W]9%10%11([O]=P%126[O]6%13[W]%14%15%16(O[W]%176(O[W](O2)(O[W]2(O[W]%13(O[W]6%13([O]%18%12[W](O[W]%18(O6)(O%15)(=O)O[W]5(O7)(O4)(O%16)=O)(O%13)(O8)(O9)=O)(O2)=O)(O%17)(O%14)=O)(O%10)=O)(O%11)=O)(O1)=O)=O)=O)(O3)=O)=O.[Cd]123([Cl][Cd]45([Cl]1)([n]1cccc6c1c1c(cc6)ccc[n]41)[n]1cccc4ccc6ccc[n]5c6c14)([n]1cccc4c1c1c(cc4)ccc[n]21)[n]1cccc2ccc4ccc[n]3c4c12.c1cc(ccn1)c1ccncc1
• Title of publication: First examples of hybrids based on polyoxometalates, metal halide clusters and organic ligands
• Authors of publication: Wang, La-Mei; Fan, Yong; Wang, Yan; Xiao, Li-Na; Hu, Yang-Yang; Peng, Yu; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 191
• Pages of publication: 257 - 262
• a: 11.567 ± 0.002 Å
• b: 12.931 ± 0.003 Å
• c: 13.907 ± 0.003 Å
• α: 85.52 ± 0.03°
• β: 80.98 ± 0.03°
• γ: 76.13 ± 0.03°
• Cell volume: 1992.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No