Information card for entry 4345223

Structure parameters

• Formula: C60 H48 Co2 Mo N12 O48 Si W11
• Calculated formula: C60 H48 Co2 Mo N12 O48 Si W11
• SMILES: [Co]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.[Co]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.[W]1234([O]56[W]78(O1)(O[W]15(O2)(O[W]259([O]%10%11[W]%12(O3)(O[W]3%13(O4)([O]4%14[W]%15(O7)(O3)(O[W]34(O%13)(O[W]%10(O%12)(O2)(O[Mo]247(O[W]%10([O]4([W]2(O%10)(O8)(O%15)(O7)=O)[Si]6%11%14)(O1)(O5)=O)(O3)=O)=O)=O)=O)=O)(O9)=O)=O)=O)=O)=O.O.O.O.O.O.O.O.O
• Title of publication: Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.
• Authors of publication: Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2481 - 2489
• a: 32.024 ± 0.007 Å
• b: 13.347 ± 0.003 Å
• c: 24.53 ± 0.005 Å
• α: 90°
• β: 119.695 ± 0.002°
• γ: 90°
• Cell volume: 9108 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No