Information card for entry 2224331

Structure parameters

• Chemical name: <i>catena</i>-Poly[diaquatris(μ~3~-biphenyl-2,2-dicarboxylato)disamarium(III)]
• Formula: C42 H28 O14 Sm2
• Calculated formula: C42 H28 O14 Sm2
• SMILES: [Sm]1234[O]=C5O[Sm]678([OH2])([OH2])([O]9[Sm]%10%11%12%13([O]=C%14O[Sm]%15([OH2])([OH2])(OC(=O)c%16ccccc%16c%16ccccc%16C([O]%10%15)=[O]%11)(OC(=O)c%10c(cccc%10)c%10c%14cccc%10)[O]=C(O%12)c%10ccccc%10c%10c(C(=[O]8)O%13)cccc%10)([O]=C(O6)c6ccccc6c6ccccc6C([O]17)=[O]3)[O]=C9c1c(c3c5cccc3)cccc1)[O]=C(O2)c1ccccc1c1c(cccc1)C(O4)=O
• Title of publication: <i>catena</i>-Poly[diaquatris(μ~3~-biphenyl-2,2-dicarboxylato)disamarium(III)]
• Authors of publication: Wei, Dan-Yi; Zhang, Yan-Guang; Wang, Mei-Li; Zhu, Zhen-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1553 - m1554
• a: 20.776 ± 0.004 Å
• b: 21.441 ± 0.004 Å
• c: 8.266 ± 0.0017 Å
• α: 90°
• β: 103.94 ± 0.03°
• γ: 90°
• Cell volume: 3573.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes