Information card for entry 7207750

Structure parameters

• Formula: C20 H110 As4 Cu5 N20 Na6 O168 Pr2 W44
• Calculated formula: C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C1[NH2][Cu]2([NH2]CC[NH2]2)[NH2]C1.O=[W]1234O[W]567(O[W]89([O]%10%11[As]%12%13=[O]%14%15[W]%16%17%18(O[W]%19%20([O]1%12[W]1(O%20)(O[W]%12%14(O%18)(O[W]%14%15(O%17)(=[O][Pr]%15%17%18([O]=5)([O]=[W](O%19)(O6)([O]7%13)(=O)O%16)([O]=[W]%10(O%14)(=O)(O[W]%11(O1)(=O)(O%12)O8)O9)[O]=[W]156(=O)O[W]789(O[W]%10%11(O1)([O]1%12[As]%13%14=[O]5[W]5(O6)(=O)(=[O]%15)O[W]6%15(O[W]%16%19(O5)(=O)O[W]5%20(O[W]([O]%13%16)(O%19)(=O)(=[O]%17)O[W]1(=O)(=[O]%18)(O[W]%12(O%11)(O5)(=O)O[W](O7)([O]8%146)(O%15)(O%20)=O)O%10)=O)(O9)=O)=O)=O)=O)=O)(O3)=O)(O2)=O)=O)(O4)=O)=O.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[W]1234(=O)O[W]567(=O)O[W]8(O1)(=O)O[W]19%10(O[W]%11%12(O[W]%13%14(O[W]%15%16(O[W]%17%18(O2)(=O)[O]3%15[As]2(=[O]3[W]%15(O[W](O9)([O]%102)(O8)(O%17)=O)(O%18)(=[O][Pr]289([O]=%12)([O]=1)([O]=[W]3(O%15)(O%14)(O%16)=O)[O]=[W]13%10(=O)O[W]%12%14(=[O]2)(=O)O[W]2%15%16(=O)O[W]%17%18(O[W]%19%20%21([O]%22%23[W]%24%25(=O)(O[W]%22(O%21)(=O)(O%15)O[W]%15(=O)(O%16)(O1)[O]13[W](O%25)(O%15)(=O)(O%10)O[W]3(O%24)(=O)(=[O]8)O[W](O%20)(O%18)([O]3[As]%231=[O]%142%17)(=O)=[O]9)O%19)=O)(=O)O%12)=O)[O]7%11%13)(O4)=O)(O5)=O)(O6)=O)=O.O.[Na+].[Na+].O.O.O.O.O.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.O.O.O.[Na+].O.O.[Na+].[Na+].[Na+].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: 15.9375 ± 0.0015 Å
• b: 18.2356 ± 0.0017 Å
• c: 21.056 ± 0.0019 Å
• α: 114.312 ± 0.001°
• β: 90.885 ± 0.002°
• γ: 94.344 ± 0.002°
• Cell volume: 5553.5 ± 0.9 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: 0.111
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No