Information card for entry 2230322

Structure parameters

• Chemical name: Tetrakis(μ-4-<i>tert</i>-butylbenzoato)-κ^4^<i>O</i>:<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[aqua(4-<i>tert</i>-butylbenzoato-κ^2^<i>O</i>,<i>O</i>')(4-<i>tert</i>- butylbenzoic acid-κ<i>O</i>)neodymium(III)]
• Formula: C88 H110 Nd2 O18
• Calculated formula: C88 H110 Nd2 O18
• Title of publication: Tetrakis(μ-4-<i>tert</i>-butylbenzoato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aqua(4-<i>tert</i>-butylbenzoato-κ^2^<i>O</i>,<i>O</i>')(4-<i>tert</i>-butylbenzoic acid-κ<i>O</i>)neodymium(III)]
• Authors of publication: Yang, Juan; Dai, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m666 - m667
• a: 35.261 ± 0.002 Å
• b: 9.3563 ± 0.0006 Å
• c: 27.9406 ± 0.0018 Å
• α: 90°
• β: 107.303 ± 0.001°
• γ: 90°
• Cell volume: 8800.8 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes