Information card for entry 7225180

Structure parameters

• Formula: C12 H97 Fe2 N8 O105 P2 Sm W20
• Calculated formula: C4 Fe2 O80 P2 Sm W20
• SMILES: C1(=O)[C@H]2[O]3[Fe]456(O1)[O]=[W]178(=[O][Sm]9%10%11%123([O]=[W]3%13(O[W]%14%15(=[O]9)(O[W]9(=[O]4)(O[W]4(=[O]5)(O[W]5%16(O1)(=O)O[W](O7)(O3)(=O)(O[W]1(O%13)(O[W](O5)(O4)(O[W](O%14)(O1)(O9)=O)=O)=O)[O]=P([O]68)(O%16)O%15)=O)=O)=O)=O)[O]1[C@@H]2C(=O)O[Fe]2341[O]=[W]15(=[O]%10)(=O)O[W]678(=O)O[W]9(=[O]3)(=O)O[W]3(=[O]2)(=O)O[W]2%10(=[O]%12)(=O)O[W]%12(=[O]%11)(=O)O[W](O1)(=O)(O6)(O[W]1(O%12)(O[W](O7)(O9)(O[W](O3)(O2)(O1)=O)=O)=O)[O]=P([O]45)(O8)O%10)=O.C1(=O)[C@@H]2[O]3[Fe]456(O1)[O]=[W]178(=[O][Sm]9%10%11%123([O]=[W]3%13(O[W]%14%15(=[O]9)(O[W]9(=[O]4)(O[W]4(=[O]5)(O[W]5%16(O1)(=O)O[W](O7)(O3)(=O)(O[W]1(O%13)(O[W](O5)(O4)(O[W](O%14)(O1)(O9)=O)=O)=O)[O]=P([O]68)(O%16)O%15)=O)=O)=O)=O)[O]1[C@H]2C(=O)O[Fe]2341[O]=[W]15(=[O]%10)(=O)O[W]678(=O)O[W]9(=[O]3)(=O)O[W]3(=[O]2)(=O)O[W]2%10(=[O]%12)(=O)O[W]%12(=[O]%11)(=O)O[W](O1)(=O)(O6)(O[W]1(O%12)(O[W](O7)(O9)(O[W](O3)(O2)(O1)=O)=O)=O)[O]=P([O]45)(O8)O%10)=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: 31.9258 ± 0.0011 Å
• b: 31.9258 ± 0.0011 Å
• c: 20.7484 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18314.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No