Information card for entry 2219121

Structure parameters

• Chemical name: <i>catena</i>-Poly[[hexakis(μ-4-methylbenzoato)- κ^2^<i>O</i>,<i>O</i>';κ^15^<i>O</i>,<i>O</i>':<i>O</i>-trieuropium(III)]- tris(μ-4-methylbenzoato)- κ^2^<i>O</i>,<i>O</i>';κ^6^<i>O</i>,<i>O</i>':<i>O</i>]
• Formula: C72 H63 Eu3 O18
• Calculated formula: C72 H63 Eu3 O18
• SMILES: [Eu]123456([O]7[Eu]8([O]=C7c7ccc(cc7)C)(OC(=O)c7ccc(cc7)C)([O]=C(c7ccc(cc7)C)[O]18)[O]=C(c1ccc(cc1)C)O2)[O]1[Eu]2789([O]=C1c1ccc(cc1)C)([O]4C(c1ccc(cc1)C)=[O]3)([O]=C(c1ccc(C)cc1)[O]2[Eu]1234([O]=C(c%10ccc(cc%10)C)O7)([O]=C(c7ccc(cc7)C)[O]1[Eu]17%10%11([O]3C(c3ccc(cc3)C)=[O]2)([O]=C(c2ccc(cc2)C)O4)[O]2[Eu]3([O]=C2c2ccc(cc2)C)([O]7C(c2ccc(cc2)C)=[O]1)(OC(=[O]3)c1ccc(C)cc1)([O]%10C(c1ccc(cc1)C)=[O]%11)OC(=O)c1ccc(cc1)C)[O]8C(c1ccc(cc1)C)=[O]9)[O]5C(c1ccc(cc1)C)=[O]6
• Title of publication: <i>catena</i>-Poly[[hexakis(μ-4-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ^15^<i>O</i>,<i>O</i>':<i>O</i>-trieuropium(III)]-tris(μ-4-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ^6^<i>O</i>,<i>O</i>':<i>O</i>]
• Authors of publication: Zhang, Chao-Hua; Hong, Peng-Zhi; Song, Wen-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1059
• a: 13.8417 ± 0.0004 Å
• b: 22.4998 ± 0.0007 Å
• c: 21.817 ± 0.0007 Å
• α: 90°
• β: 96.49 ± 0.002°
• γ: 90°
• Cell volume: 6751 ± 0.4 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: 0.0635
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes