Information card for entry 2218507

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')heptakis(μ- 4-methylbenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)trisamarium(III)]
• Formula: C72 H63 O18 Sm3
• Calculated formula: C72 H63 O18 Sm3
• SMILES: [Sm]123456([O]7[Sm]8([O]=C(c9ccc(cc9)C)O8)([O]=C7c7ccc(cc7)C)([O]3C(c3ccc(cc3)C)=[O]2)([O]4C(c2ccc(cc2)C)=[O]5)OC(=O)c2ccc(cc2)C)[O]=C(c2ccc(cc2)C)O[Sm]2345([O]7C(c8ccc(cc8)C)=[O][Sm]89%10%117([O]4C(c4ccc(cc4)C)=[O]8)([O]=C(c4ccc(cc4)C)[O]9[Sm]4789([O]=C(c%12ccc(cc%12)C)O[Sm]%12%13(OC(=O)c%14ccc(cc%14)C)([O]=C(c%14ccc(cc%14)C)[O]4%12)[O]9C(c4ccc(cc4)C)=[O]%13)([O]=C(c4ccc(cc4)C)[O]7%10)[O]%11C(c4ccc(cc4)C)=[O]8)[O]=C(c4ccc(cc4)C)O5)([O]=C(c4ccc(cc4)C)[O]12)[O]6C(c1ccc(cc1)C)=[O]3
• Title of publication: <i>catena</i>-Poly[bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')heptakis(μ-4-methylbenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)trisamarium(III)]
• Authors of publication: Feng, Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m816
• a: 13.8527 ± 0.0002 Å
• b: 22.5008 ± 0.0007 Å
• c: 21.8191 ± 0.0008 Å
• α: 90°
• β: 96.58 ± 0.003°
• γ: 90°
• Cell volume: 6756.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes