Information card for entry 7211148

Structure parameters

• Formula: C108 H146 N10 O32 P6 Zn7
• Calculated formula: C108 H146 N10 O32 P6 Zn7
• SMILES: C1[N]2(CC(=O)O[Zn]342[O]2P51=[O][Zn]167OP8(=[O]3)C[N]3(Cc9cccc%10c9cccc%10)CC(=O)O[Zn]9%103[O]=P3%11C[N]%12(CC(=O)O[Zn]%13%14%12[O]3[Zn]3%122([O]89)[O]2P(O%13)(=[O][Zn]89([N](CP(=[O]4)([O]38)O%10)(CC(=O)O9)Cc3cccc4ccccc34)O%11)C[N]3(CC(=O)O[Zn]23(O5)[O]=P(C[N]1(CC(=O)O7)Cc1cccc2ccccc12)([O]6%12)O%14)Cc1cccc2ccccc12)Cc1cccc2ccccc12)Cc1cccc2ccccc12.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O
• Title of publication: Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation
• Authors of publication: Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8937
• a: 15.8046 ± 0.001 Å
• b: 18.7688 ± 0.001 Å
• c: 20.6949 ± 0.0012 Å
• α: 90°
• β: 102.839 ± 0.003°
• γ: 90°
• Cell volume: 5985.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No