Information card for entry 7048310

Structure parameters

• Formula: C30 H72 N6 Na2 O79 Re2 Te2 W20
• Calculated formula: C30 H72 N6 Na2 O79 Re2 Te2 W20
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O=[W]123O[W]4567=[O][Re]8([O]=[W]9%10%11(O[W]%12%13%14(=O)O[W]%15%16(O[W]%17%18(O[W]%19%20(O[W]%21([O]%22%19[Te]%19O[W]%23%24(O[W](=O)(O[W](O9)(=O)(O%15)([O]%10%13%19)O%14)(O[W]9%10(O2)([O]2%13[Te](O6)[O]6%14[W]%15%19(O[W](=O)(O5)(O[W]%22(O%17)(=O)(O%21)O%20)(O%23)=O)(O[W]5%176(O[W]%14(O[W](=O)(O4)(O1)O%15)(=O)(O[W]%13(O[W]2(=O)(=[O][Re]([O]=5)(C#[O])(C#[O])(C#[O])[O]=%24)(O9)O%17)(O3)(=O)O%10)O%19)=O)=O)=O)(O7)=O)(O%18)O%16)(=O)(O8)O%11)(=O)O%12)=O)=O)=O)(C#[O])(C#[O])C#[O].[Na+].O.O.C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O.[Na+]
• Title of publication: Synthesis, characterization and catalytic epoxidation properties of a new tellurotungstate(iv)-supported rhenium carbonyl derivative.
• Authors of publication: Lu, Jingkun; Ma, Xinyi; Wang, Ping; Feng, Junwei; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 628 - 634
• a: 16.3974 ± 0.0009 Å
• b: 19.6444 ± 0.0011 Å
• c: 17.5409 ± 0.001 Å
• α: 90°
• β: 93.055 ± 0.001°
• γ: 90°
• Cell volume: 5642.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No