Information card for entry 2214011

Structure parameters

• Chemical name: catena-Poly[[aqua[(2,4-dichlorophenoxy)acetato]neodymium(III)]-di-μ-\ (2,4-dichlorophenoxy)acetato]
• Formula: C24 H17 Cl6 Nd O10
• Calculated formula: C24 H17 Cl6 Nd O10
• SMILES: [Nd]123(OC(=[O]1)COc1ccc(cc1Cl)Cl)([OH2])[O](C(COc1ccc(cc1Cl)Cl)=[O]2)[Nd]124([O]=C(COc5ccc(cc5Cl)Cl)[O]31)([O]=C(COc1ccc(cc1Cl)Cl)O2)([O]=C(COc1ccc(cc1Cl)Cl)O4)(OC(COc1ccc(cc1Cl)Cl)=O)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua[(2,4-dichlorophenoxy)acetato]neodymium(III)]-di-μ-(2,4-dichlorophenoxy)acetato]
• Authors of publication: Jian Guo; Wei-Jun Liang; Wen-Dong Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1595 - m1595
• a: 10.1801 ± 0.0002 Å
• b: 35.4768 ± 0.0006 Å
• c: 8.1456 ± 0.0002 Å
• α: 90°
• β: 97.144 ± 0.001°
• γ: 90°
• Cell volume: 2919.01 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes