Information card for entry 7044824

Structure parameters

• Chemical name: cluster-3
• Formula: C66 H102 N8 Nd4 O46 Zn4
• Calculated formula: C66 H102 N8 Nd4 O46 Zn4
• SMILES: c12c3c(ccc2)C=[N]2CCN4CC[N]5=Cc6c7[O]8[Nd]9%10%11%12([O](c7ccc6)C)(ON(=[O]9)=O)([O]=C(O%10)C)OC(C)=[O][Nd]679%10%13([O]1C)([O]3[Zn]24([O]9[Zn]58([O]%117)[O]=C(C)O[Nd]1234578[O](C)c9cccc%11c9[O]1[Zn]19([N](=C%11)CCN1CC[N]1=Cc%11cccc%14[O](C)[Nd]%15%16%17([O](c%11%14)[Zn]1([O]5%17)([O]79)[O]=C(O6)C)(ON(=[O]%15)=O)([O]=C(O%16)C)(OC(C)=[O]2)[O]3C(C)=[O]4)[O]=C(C)O8)[O]=C(O%10)C)[O]%12C(C)=[O]%13.CO.OC.OC.O.CO.CO.CO.O
• Title of publication: Construction of luminescent high-nuclearity Zn-Ln rectangular nanoclusters with flexible long-chain Schiff base ligands.
• Authors of publication: Wang, Shiqing; Yang, Xiaoping; Zhu, Ting; Bo, Le; Wang, Ruihu; Huang, Shaoming; Wang, Chengri; Jiang, Dongmei; Chen, Hongfen; Jones, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 53 - 57
• a: 14.087 ± 0.005 Å
• b: 14.64 ± 0.005 Å
• c: 14.997 ± 0.005 Å
• α: 62.231 ± 0.003°
• β: 87.122 ± 0.004°
• γ: 64.738 ± 0.004°
• Cell volume: 2431.9 ± 1.5 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No