Information card for entry 2234678

Structure parameters

• Chemical name: Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine- 2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate]
• Formula: C42 H63 Ca3 Eu2 N6 O46.5
• Calculated formula: C42 H54 Ca3 Eu2 N6 O46.5
• Title of publication: Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine-2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate]
• Authors of publication: Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m685 - m686
• a: 16.07 ± 0.004 Å
• b: 9.471 ± 0.002 Å
• c: 23.54 ± 0.006 Å
• α: 90°
• β: 107.685 ± 0.004°
• γ: 90°
• Cell volume: 3413.4 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes