Information card for entry 7003164

Structure parameters

• Formula: C22 H66 Cu2 K3 N4 O102.5 P2 W22
• Calculated formula: C22 H16 Cu2 K3 N4 O82 P2 W22
• SMILES: [K+].[K+].O=[W]12(O[W]3(=O)(=O)O[W]456([O]=P78[O]9[W]%10(O[W]%11(=O)(O6)O[W]6%12(O7)(O[W]7(O[W](O[W]9(=O)(O%10)(=O)O7)(O8)(=O)(O[W](O1)(=O)(O%12)O[W](O4)(O6)(=[O][Cu]14([n]6ccccc6c6cccc[n]16)[O]=C1C(=[O][Cu]6([n]7ccccc7c7cccc[n]67)(O1)[O]=[W]167O[W]89%10([O]=P%12%13[O]%14[W]%15(O[W]%16(=O)(O%10)O[W]%10(O1)(O%12)(O[W]1(O[W](O[W](=O)(=O)(O9)O6)(=O)(=O)O[W]6(O%13)(O[W]%14(=O)(O%15)(=O)O[W](O6)(O%10)(O%16)=O)(=O)O1)(=O)O7)=O)(O8)(=O)=O)=O)O4)O3)O2)(O%11)=O)=O)(O5)(=O)=O)=O)=O.[K+]
• Title of publication: Organic‒inorganic hybrids assembled by bis(undecatungstophosphate) lanthanates and dinuclear copper(ii)‒oxalate complexes
• Authors of publication: Cao, Jianfang; Liu, Shuxia; Cao, Ruige; Xie, Linhua; Ren, Yuanhang; Gao, Chaoying; Xu, Lin
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 115
• a: 15.1688 ± 0.0011 Å
• b: 20.2868 ± 0.0011 Å
• c: 38.63 ± 0.002 Å
• α: 90°
• β: 99.987 ± 0.002°
• γ: 90°
• Cell volume: 11707.3 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No