Information card for entry 2232460

Structure parameters

• Common name: [Pr(thd)2((CH3)3CCOO)(CH3OH)]2
• Chemical name: Di-μ-pivalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>, <i>O</i>'-bis[(methanol-κ<i>O</i>)bis(2,2,6,6-tetramethylheptane-3,5- dionato)praseodymium(III)]
• Formula: C56 H102 O14 Pr2
• Calculated formula: C56 H102 O14 Pr2
• SMILES: [O]1=C(C=C(O[Pr]2341([O]=C([O]4[Pr]145([O]=C(C=C(C(C)(C)C)O1)C(C)(C)C)(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)([O]=C([O]35)C(C)(C)C)[OH]C)C(C)(C)C)([OH]C)[O]=C(C=C(C(C)(C)C)O2)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Di-μ-pivalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(methanol-κ<i>O</i>)bis(2,2,6,6-tetramethylheptane-3,5-dionato)praseodymium(III)]
• Authors of publication: Meng, Qingguo; Cross, Ann M.; May, P. Stanley; Sykes, Andrew G.; Berry, Mary T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1514 - m1515
• a: 12.6248 ± 0.0014 Å
• b: 16.5113 ± 0.0018 Å
• c: 15.5218 ± 0.0017 Å
• α: 90°
• β: 94.372 ± 0.001°
• γ: 90°
• Cell volume: 3226.1 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes