Information card for entry 2012058

Structure parameters

• Chemical name: catena-poly[europium(III)-tri-μ-4-methylbenzoato-O:O,O';O:O,O';O,O':O']
• Formula: C24 H21 Eu O6
• Calculated formula: C24 H21 Eu O6
• SMILES: [Eu]1234567([O](C(=[O]1)c1ccc(C)cc1)[Eu]189%10%11([O]%12[Eu]%13%14%15([O]%16[Eu]%17%18([O]=C(O%17)c%17ccc(C)cc%17)([O]=C%16c%16ccc(C)cc%16)([O]=C([O]%13%18)c%13ccc(C)cc%13)[O]=C(O%14)c%13ccc(C)cc%13)([O]=C%12c%12ccc(C)cc%12)([O]=C([O]1%15)c1ccc(C)cc1)[O]8C(=[O]9)c1ccc(C)cc1)([O]=C([O]6%10)c1ccc(C)cc1)[O]=C([O]7%11)c1ccc(C)cc1)[O]=C([O]2[Eu]1267([O]4C(=[O]3)c3ccc(C)cc3)([O]=C(O5)c3ccc(C)cc3)[O]=C([O]1[Eu]134([O]6C(=[O]2)c2ccc(C)cc2)([O]7C(=[O]1)c1ccc(C)cc1)(OC(=[O]3)c1ccc(C)cc1)[O]=C(O4)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: <i>catena</i>-Poly[europium-tri-μ-4-methylbenzoato]
• Authors of publication: Jin, Qiong-Hua; Li, Xia; Zou, Ying-Quan; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 676 - 677
• a: 12.988 ± 0.001 Å
• b: 21.823 ± 0.002 Å
• c: 23.542 ± 0.004 Å
• α: 90°
• β: 90.84 ± 0.01°
• γ: 90°
• Cell volume: 6672 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No