Information card for entry 7225181

Structure parameters

• Formula: C12 H89 Fe2 N8 O101 P2 Tb W20
• Calculated formula: C8 Fe2 N4 O94.6667 P2 Tb W20
• SMILES: [Tb]1234567[O]=[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15(=O)(O%10)[O]%10%16[W]%17(=O)(=[O]2)(O%15)O[W]2%15(=O)(=[O]1)O[W]1%18%19(=O)O[W]%20%21(=O)(O%12)O[Fe]%12(O%18)(O8)([O]9=P8%10[O]%13%20[W]9(=O)(O%11)(O%21)O[W](=O)(O1)(O2)([O]8%15%19)O[W]%16(=O)(O9)(O%14)O%17)[O]3[C@@H](C(=O)O%12)[C@H]3[O]7[Fe]127(OC3=O)O[W]389(=O)O[W]%10%11(=O)(O1)O[W]1%12%13(=O)O[W]%14%15(=O)(O9)O[W]9%16(=O)(O3)O[W]3%17%18(=O)[O]%19%20[W](=O)(=[O]6)(O%17)(O[W]%19(O%15)(O3)(O%12)=O)O[W](O%10)(=[O]5)(O1)(=O)[O]%11%13P%20([O]8%14%16)=[O]7[W](=[O]4)(O9)(O2)(O%18)=O.NCCN.O.O.O.O.O.O.O.O.NCCN.O.O.O.O.O.O.O.[Tb]1234567[O]=[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15(=O)(O%10)[O]%10%16[W]%17(=O)(=[O]2)(O%15)O[W]2%15(=O)(=[O]1)O[W]1%18%19(=O)O[W]%20%21(=O)(O%12)O[Fe]%12(O%18)(O8)([O]9=P8%10[O]%13%20[W]9(=O)(O%11)(O%21)O[W](=O)(O1)(O2)([O]8%15%19)O[W]%16(=O)(O9)(O%14)O%17)[O]3[C@H](C(=O)O%12)[C@@H]3[O]7[Fe]127(OC3=O)O[W]389(=O)O[W]%10%11(=O)(O1)O[W]1%12%13(=O)O[W]%14%15(=O)(O9)O[W]9%16(=O)(O3)O[W]3%17%18(=O)[O]%19%20[W](=O)(=[O]6)(O%17)(O[W]%19(O%15)(O3)(O%12)=O)O[W](O%10)(=[O]5)(O1)(=O)[O]%11%13P%20([O]8%14%16)=[O]7[W](=[O]4)(O9)(O2)(O%18)=O.NCCN.O.O.O.O.O.O.O.O.NCCN.O.O.O.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: 31.9128 ± 0.001 Å
• b: 31.9128 ± 0.001 Å
• c: 20.7587 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18308.8 ± 1.1 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: 0.1124
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No