Information card for entry 7224666

Structure parameters

• Formula: C13 H72 As2 K7 N3 Na10 O115 Sn4 W22
• Calculated formula: C13 H22 As2 K7 N3 Na10 O115 Sn4 W22
• SMILES: [W]1234(O[Sn]567(O[W]89%10([O]1[W]1%11%12(=O)O[Sn]%13%14(O[W]%15%16%17(O[W]%18%19(O[W]%20%21(O[W]%22%23%24(O[Sn]%25(O[W]%26%27(O%22)(O[W]%22%28%29(O[W]%30(=O)(O[W](O%20)([O]%21%23[As]([O]%15%19%30)[O]%26%28[W](O%22)(O%13)(O%27)(=O)O%17)(O%24)(O%29)=O)(O%18)O%16)=O)=O)(O4)(O%12)OC(=O)CC%25)=O)(=O)=O)(=O)=O)=O)(O[W]([O]21)([O]38)([O]9%11)(=O)O[Sn]12(O[W]348(O[W]9%11%12(O[W]%13(=O)(O[W]%15%16(=O)([O]%17%18[W]%19(O[W]%17(O9)(O[W]9%17(O[W]%20([O]%17([W](O9)(O%19)(O%20)(=O)O6)[As]%18[O]8%11%13)(O4)(O1)=O)(=O)O%12)(O%15)=O)(O5)(=O)O%16)=O)(O3)=O)=O)=O)(O%10)OC(=O)CC2)OC(=O)CC%14)=O)OC(=O)CC7)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[NH2+]=C(N)N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A new boat-like tungstoarsenate functionalized by carboxyethyltin and its catalytic properties
• Authors of publication: Ji, Li-Ping; Du, Jing; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Yang, He; Cui, Hong-Juan; Zhu, Zai-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 34
• Pages of publication: 28956
• a: 11.9822 ± 0.0016 Å
• b: 22.5 ± 0.003 Å
• c: 25.497 ± 0.003 Å
• α: 69.912 ± 0.002°
• β: 82.904 ± 0.002°
• γ: 86.609 ± 0.002°
• Cell volume: 6405.3 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No