Information card for entry 7207749

Structure parameters

• Formula: C28 H148 As4 Ce2 Cu7.5 N28 Na O172 W44
• Calculated formula: C28 H112 As4 Ce2 Cu7.5 N28 Na O172 W44
• SMILES: [W]1234(=O)O[W]567([O]8[W]9%10(O[W]%11%12([O]%133[W]3(O1)(O%12)(=O)O[W]1%12%14(O[W]%15%16(O3)(=O)O[W]3(O2)([O]2%15[W]%15(O%16)(O3)(=O)=[O][Ce]3%16%17([O]=%10)([O]=6)([O]=[W]6(O1)([O]%12([W](O%11)(O%14)(=O)(O6)O9)=[As]8%132)(O%15)=O)[O]=[W]126(O[W]89%10([O]%112[W]2(O1)(O%10)(O[W]1%10%12(=O))O[W]%13(O2)(=[O]%16)([O]2[W]%14(O[W]%15%16%18([O]%19%20[W](O6)(=O)(O[W]%19(O%18)(=O)(O[W]6(O9)([O]%10([W](O%16)(O%14)(=O)(O1)O6)=[As]%112%20)(=O)O%12)O8)(=[O]3)O%15)=O)(O%13)(=O)=[O]%17)=O)=O)=O)(=O)(O7)=O)=O)(O4)=O)(=O)O5)=O.[Na+].[W]1234(=O)O[W]567([O]82[W]2(O3)(O[W]39%10(O[W]%11%12(O4)(=O)O[W]4%13([O]3%11=[As]38[O]8%11[W]%14(O1)(O%12)(=O)O[W]1%11(O[W]8(O%14)(=O)(O[W]8%11(O%13)(O[W](O6)(O1)(=O)(=[O][Ce]16%12([O]=%10)([O]=2)([O]=%11)[O]=[W]2%10%11(=[O][Cu]([OH2])([OH2])([OH2])[OH2])O[W]%13%14%15([O]%16%10[W]%10(O2)(=O)(O[W]2%17(O[W]%18%19(O[W]%20%21%22([O]%23%24[W](O%11)(=O)(=[O]1)(O[W]%23(O%15)(=O)(O%21)O[W]1%11(O%14)(O[W]%14(O%10)(O%17)(=O)O[W](O%22)(O%18)([O]1%14=[As]%16%24[O]2%19)(=O)O%11)=O)O%20)=O)([O]=6)=O)(=[O]%12)=O)O%13)=O)[O]38)=O)O4)(O7)=O)(=O)O9)=O)(=O)O5)=O.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([OH2])([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals
• Authors of publication: Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3108
• a: 18.2072 ± 0.0018 Å
• b: 25.709 ± 0.002 Å
• c: 26.639 ± 0.003 Å
• α: 94.661 ± 0.002°
• β: 106.296 ± 0.002°
• γ: 108.962 ± 0.002°
• Cell volume: 11112.9 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No