Information card for entry 2210355

Structure parameters

• Chemical name: Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κO)lanthanum(III) diphosphatooctadecatungste dimethylformamide disolvate
• Formula: C48 H95 La N12 O72 P2 W18
• Calculated formula: C48 H95 La N12 O72 P2 W18
• SMILES: c1cc(cc[n+]1C)C.c1cc(cc[n+]1C)C.c1cc(cc[n+]1C)C.C(N(C)C)=[O][La](O[W]1234O[W]567([O]8=P9%10[O]%11[W]%12%13%14(O[W]%15%16%11(O[W]%11%17%18([O]%19=P%20%21[O]3[W]3(O%11)(O2)(O[W]8(O6)(O[W]26([O]8%10[W]%10(O[W]%11%22(O[W](O5)(O[W]8(O7)(O%10)(O2)=O)([O]9%22)(=O)O[W]25(O[W]7(O[W]89(O[W]%10(O1)(O2)([O]%208[W](O%18)(O3)(O9)(=O)O%10)=O)(O[W]%19(O%12)(O%17)(O7)=O)=O)(O%11)([O]%215)=O)(=O)O4)(O%14)=O)(O%13)(=O)O6)(O%16)=O)(O%15)=O)=O)=O)=O)=O)=O)([OH2])([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Tris(1,4-dimethylpyridinium) aquaheptakis(dimethylformamide-κ<i>O</i>)lanthanum(III) diphosphatooctadecatungsten dimethylformamide disolvate
• Authors of publication: Xue-Jie Tan; Si-Xiu Sun; Dian-Xiang Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2252 - m2254
• a: 38.97 ± 0.019 Å
• b: 14.804 ± 0.007 Å
• c: 18.441 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10639 ± 9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes