Information card for entry 2224301

Structure parameters

• Chemical name: Bis{μ-1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]-2-(5-bromo-2- oxidophenyl)-1,3-imidazolidine}dineodymium(III) <i>N</i>,<i>N</i>-dimethylformamide hexasolvate
• Formula: C72 H90 Br6 N14 Nd2 O12
• Calculated formula: C72 H90 Br6 N14 Nd2 O12
• SMILES: [N]12CCN3CC[N]45CC[N]6=Cc7c(ccc(c7)Br)O[Nd]78956[N](CCN5CCN6CC[N]%10[Nd]2(Oc2c(C=1)cc(Br)cc2)(Oc1c(cc(cc1)Br)C=%10)([O]8c1c(C34)cc(Br)cc1)[O]9c1c(C56)cc(Br)cc1)=Cc1c(O7)ccc(Br)c1.N(C=O)(C)C.N(C)(C)C=O.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Bis{μ-1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]-2-(5-bromo-2-oxidophenyl)-1,3-imidazolidine}dineodymium(III) <i>N</i>,<i>N</i>-dimethylformamide hexasolvate
• Authors of publication: Xie, Qing-Fan; Huang, Miao-Ling; Chen, Yan-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1660
• a: 14.624 ± 0.006 Å
• b: 22.46 ± 0.004 Å
• c: 13.663 ± 0.004 Å
• α: 90°
• β: 101.133 ± 0.006°
• γ: 90°
• Cell volume: 4403 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes