Information card for entry 2208132

Structure parameters

• Chemical name: Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]
• Formula: C20 H12 Nd2 O12
• Calculated formula: C20 H12 Nd2 O12
• SMILES: [Nd+3].[Nd+3].C(=O)(c1ccc(C(=O)[O-])cc1)[O-].C(=O)([O-])CCC(=O)[O-].C(=O)(c1ccc(C(=O)[O-])cc1)[O-]
• Title of publication: Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]
• Authors of publication: Zhi-Feng Li; Chun-Xiang Wang; Yong Li; Ding-Jian Cai; You-Jun Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m251 - m252
• a: 14.0586 ± 0.0003 Å
• b: 6.9445 ± 0.0001 Å
• c: 21.9664 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2144.58 ± 0.07 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes