Information card for entry 7220611

Structure parameters

• Formula: C47 H60 N8 Nd3 O19.5
• Calculated formula: C46.5 H58 N8 Nd3 O19
• SMILES: [Nd]1234567([O]=C(C)[O]1[Nd]189%10%11([O]=C(C)O8)([O]=C(C)[O]1[Nd]18%12%13%14([O]=C(C)O1)([O]=C(C)[O]89)[n]1c[nH]cc1CC[N]%12=Cc1ccc9cccc(c9[n]%141)[O]%11%13)([O]=C(C)[O]6%10)[O]5c1cccc5ccc(C=[N]4CCc4c[nH]c[n]24)[n]3c15)[O]=C(C)O7.CO.CO.CO.O
• Title of publication: Anion-dependent assembly of Dy complexes: structures and magnetic behaviors
• Authors of publication: Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5066
• a: 17.0393 ± 0.0006 Å
• b: 17.8176 ± 0.0006 Å
• c: 20.2468 ± 0.0007 Å
• α: 112.788 ± 0.003°
• β: 97.045 ± 0.003°
• γ: 90.308 ± 0.003°
• Cell volume: 5614.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No