Information card for entry 4346641

Structure parameters

• Formula: C6 H85 As2 Cs2.5 Na9.5 O108 Sb Ti2 W18
• Calculated formula: C6 H5 As2 Cs4 Na6.05 O90.5 Sb Ti2 W18
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W]%14%15%16(O[W]%17(O[W]%18(O2)(O[W]2%19(O[W](O%11)(O%14)([O]%12%16[As]([O]3%182)[O]69%17)(=O)=[O][Ti]2([O]=[W]369(O[W]%11%12%14(O[W]%16%17(O[W]%18%20%21(O[W]%22%23(O[W]%24%25%26(O[W]%27(O[W](O%11)(O3)(O%24)([O]9%12[As]([O]%23%26[W](O%25)(O6)(O%22)(=O)=[O]2)[O]%17%20%27)=O)(O%18)(O%16)=O)=O)(O[Sb](c2ccccc2)(O4)(O7)O%21)=O)=O)(=[O][Ti]([O]=%14)([O]=%13)([O]=%10)=O)=O)=O)=O)([O]=%19)=O)(O1)=O)(O%15)=O)(O5)(O8)=O)=O)=O)=O)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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: Ti2-Containing 18-Tungsto-2-Arsenate(III) Monolacunary Host and the Incorporation of a Phenylantimony(III) Guest.
• Authors of publication: Wang, Kai-Yao; Lin, Zhengguo; Bassil, Bassem S.; Xing, Xiaolin; Haider, Ali; Keita, Bineta; Zhang, Guangjin; Silvestru, Cristian; Kortz, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10530 - 10532
• a: 18.7957 ± 0.0004 Å
• b: 27.7898 ± 0.0007 Å
• c: 19.7359 ± 0.0005 Å
• α: 90°
• β: 91.775 ± 0.0012°
• γ: 90°
• Cell volume: 10303.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No