Information card for entry 2225970

Structure parameters

• Chemical name: Tetra-μ-benzoato-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>'-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')europium(III)] benzoic acid disolvate
• Formula: C80 H58 Eu2 N4 O16
• Calculated formula: C80 H58 Eu2 N4 O16
• SMILES: c12c3ccc[n]1[Eu]14567([n]8cccc(cc3)c28)([O]=C(O1)c1ccccc1)[O]=C([O]6[Eu]123([n]6c8c(ccc6)ccc6ccc[n]1c86)([O]=C(O2)c1ccccc1)([O]7C(=[O]3)c1ccccc1)([O]=C(O5)c1ccccc1)OC(=[O]4)c1ccccc1)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1
• Title of publication: Tetra-μ-benzoato-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>'-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')europium(III)] benzoic acid disolvate
• Authors of publication: Ooi, Ping Howe; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m597 - m598
• a: 9.6688 ± 0.0002 Å
• b: 12.826 ± 0.0002 Å
• c: 15.146 ± 0.0003 Å
• α: 75.244 ± 0.001°
• β: 78.605 ± 0.001°
• γ: 76.072 ± 0.001°
• Cell volume: 1744.26 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes