Information card for entry 4330793

Structure parameters

• Formula: C100 H136 Cl4 N8 Nd4 O24
• Calculated formula: C100 H134 Cl4 N8 Nd4 O24
• SMILES: C1=[N]2[C@@H]3CCCC[C@H]3[N]3=Cc4c5[O]6[Nd]789%1023[O]2[Nd]3%11%126([O](C)c6cccc(c6O3)C=[NH+][C@H]3CCCC[C@@H]3N=Cc3cccc6[O](C)[Nd]%13%14%15%16([N]%17=Cc%18cccc%19c%18[O]%15[Nd]%15%18%20([O]%19C)([O]%16c%16c(C=[N]%13[C@@H]%13[C@@H]%17CCCC%13)cccc%16[O]%15C)([O](C)c%13cccc(c%13O%18)C=[NH+][C@@H]%13CCCC[C@H]%13N=Cc%13cccc([O]9C)c%13[O]8%20)([O]7%14)Cl)([O]%11c36)[O]%10%12)([O](C)c3cccc1c23)([O](c5ccc4)C)Cl.C(C)O.C(C)O.C(C)O.[Cl-].C(C)O.C(C)O.C(C)O.[Cl-]
• Title of publication: Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)
• Authors of publication: Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11377 - 11386
• a: 18.5179 ± 0.0014 Å
• b: 16.197 ± 0.0012 Å
• c: 19.1175 ± 0.0014 Å
• α: 90°
• β: 95.482 ± 0.001°
• γ: 90°
• Cell volume: 5707.8 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No