Information card for entry 2200764

Structure parameters

• Chemical name: tris(2,4-pentadionato)(1,10-phenanthroline)samarium(III)
• Formula: C27 H29 N2 O6 Sm
• Calculated formula: C27 H29 N2 O6 Sm
• SMILES: [Sm]1234(OC(C)=CC(=[O]1)C)(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]3)C)C)[n]1cccc3c1c5c(cc3)ccc[n]45
• Title of publication: Low-temperature structure of a twinned crystal of tris(2,4-pentanedionato)(1,10-phenanthroline)samarium(III)
• Authors of publication: Urs, Usha K.; Shalini, K.; Cameron, T. S.; Shivashankar, S. A.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m457 - m458
• a: 9.432 ± 0.002 Å
• b: 20.957 ± 0.005 Å
• c: 14.728 ± 0.003 Å
• α: 90°
• β: 98.899 ± 0.009°
• γ: 90°
• Cell volume: 2876.2 ± 1.1 ų
• Cell temperature: 173 ± 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 significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes