Information card for entry 2217155

Structure parameters

• Chemical name: Tetrakis(μ-propanoato-κ^2^O:O')bis[(1,10-phenanthroline- κ^2^N,N')(propanoato-κ^2^O,O')samarium(III)]
• Formula: C42 H46 N4 O12 Sm2
• Calculated formula: C42 H46 N4 O12 Sm2
• SMILES: c1ccc2c3[n]1[Sm]14567([n]8cccc(c38)cc2)([O]=C([O]1[Sm]123([O]=C(O5)CC)([n]5cccc8ccc9ccc[n]1c9c58)([O]=C([O]62)CC)([O]=C(O3)CC)OC(=[O]7)CC)CC)[O]=C(O4)CC
• Title of publication: Tetrakis(μ-propanoato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(propanoato-κ^2^<i>O</i>,<i>O</i>')samarium(III)]
• Authors of publication: Chun-Xiang Wang; Zhi-Feng Li; Shu-Hua Xiong; Ping Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m102 - m102
• a: 9.574 ± 0.0002 Å
• b: 18.3182 ± 0.0005 Å
• c: 12.7307 ± 0.0003 Å
• α: 90°
• β: 107.103 ± 0.001°
• γ: 90°
• Cell volume: 2133.96 ± 0.09 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• 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: 0.026
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes