Information card for entry 4330796

Structure parameters

• Formula: C56 H68 Er4 N4 O22
• Calculated formula: C56 H66 Er4 N4 O22
• SMILES: C[O]1c2cccc3c2[O]2[Er]45678([N](=C3)[C@@H]3[C@@H]([N]4=Cc4cccc9[O](C)[Er]%10%11%12%13([O]5c49)([O](C)c4cccc5c4[O]%10[Er]49%10%14([N](=C5)[C@@H]5CCCC[C@H]5[N]4=Cc4cccc5[O]([Er]12([O]=C(O6)C)([O]9c45)([O]8%11)([O]%12%10)OC(C)=[O]%14)C)([O]=C(O%13)C)OC(=O)C)[O]=C(O7)C)CCCC3)OC(=O)C
• 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: 11.824 ± 0.003 Å
• b: 12.126 ± 0.003 Å
• c: 12.717 ± 0.003 Å
• α: 104.693 ± 0.005°
• β: 91.462 ± 0.005°
• γ: 95.205 ± 0.005°
• Cell volume: 1754.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No