Information card for entry 7225179

Structure parameters

• Formula: C10 H57 Fe2 La N6 O89 P2 W20
• Calculated formula: C10 Fe2 La N6 O84 P2 W20
• SMILES: [W]1234(O[La]56789%10[O]%11[Fe]%12%13%14(OC(=O)[C@H]%11[C@H]%11[O]5[Fe]5%15%16(OC%11=O)O[W]%11%17(O6)([O]%15=P6%15[O]%18%19[W]%20%21(O%16)(O[W]%16%19(O%17)(O[W]%17%19(O%11)(O[W]%11%22(O7)(O[W]7%23(O8)(O[W]8(O5)(O%20)(=O)[O]67[W]5(O8)(O%23)(O[W]([O]%15%17%11)(O%22)(O%19)(O[W]%18(O%16)(O%21)(O5)=O)=O)=O)=O)=O)=O)=O)=O)=O)O[W]567([O]8%11[W]%15%16(O[W]%17(O%10)(O[W]%10%18([O]%19[W](O9)(O%10)(=O)(O3)O[W]3(O%18)(O[W](O4)(O[W](O%12)([O]1=P%11%19[O]%14%17)(O2)(=O)O5)(O[W]8(O7)(O%16)(O3)=O)=O)=O)(O%15)=O)(O%13)=O)(O6)=O)=O)=O.C(CN)N.C(CN)N.C(CN)N.O.O.O.O.[W]1234(O[La]56789%10[O]%11[Fe]%12%13%14(OC(=O)[C@@H]%11[C@@H]%11[O]5[Fe]5%15%16(OC%11=O)O[W]%11%17(O6)([O]%15=P6%15[O]%18%19[W]%20%21(O%16)(O[W]%16%19(O%17)(O[W]%17%19(O%11)(O[W]%11%22(O7)(O[W]7%23(O8)(O[W]8(O5)(O%20)(=O)[O]67[W]5(O8)(O%23)(O[W]([O]%15%17%11)(O%22)(O%19)(O[W]%18(O%16)(O%21)(O5)=O)=O)=O)=O)=O)=O)=O)=O)=O)O[W]567([O]8%11[W]%15%16(O[W]%17(O%10)(O[W]%10%18([O]%19[W](O9)(O%10)(=O)(O3)O[W]3(O%18)(O[W](O4)(O[W](O%12)([O]1=P%11%19[O]%14%17)(O2)(=O)O5)(O[W]8(O7)(O%16)(O3)=O)=O)=O)(O%15)=O)(O%13)=O)(O6)=O)=O)=O.C(CN)N.C(CN)N.C(CN)N.O.O.O.O
• Title of publication: Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers
• Authors of publication: Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4643
• a: 24.4846 ± 0.0014 Å
• b: 21.2236 ± 0.0013 Å
• c: 35.6854 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18544 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2144
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No