Information card for entry 2232488

Structure parameters

• Chemical name: Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide- κ<i>O</i>)europium(III)]
• Formula: C48 H48 Eu2 N2 O16
• Calculated formula: C48 H48 Eu2 N2 O16
• SMILES: c1(ccccc1)C1=[O][Eu]234(O1)([O]=C(c1ccccc1)[O]2[Eu]125([O]3C(c3ccccc3)=[O]5)([O]=C(O1)c1ccccc1)([O]=C(O2)c1ccccc1)([OH2])[O]=CN(C)C)([O]=C(O4)c1ccccc1)([OH2])[O]=CN(C)C
• Title of publication: Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide-κ<i>O</i>)europium(III)]
• Authors of publication: Wang, Zhiliang; Zhou, Xianju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1579 - m1580
• a: 11.6395 ± 0.0002 Å
• b: 8.3692 ± 0.0001 Å
• c: 25.5235 ± 0.0004 Å
• α: 90°
• β: 101.46 ± 0.002°
• γ: 90°
• Cell volume: 2436.76 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes