Information card for entry 2230149

Structure parameters

• Chemical name: Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'- bis[tetraaquaneodymium(III)] hexachloride tetrahydrate
• Formula: C28 H52 Cl6 N4 Nd2 O20
• Calculated formula: C28 H48 Cl6 N4 Nd2 O20
• Title of publication: Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate
• Authors of publication: Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m584 - m585
• a: 12.1717 ± 0.0001 Å
• b: 19.8544 ± 0.0001 Å
• c: 10.517 ± 0.0001 Å
• α: 90°
• β: 112.018 ± 0.001°
• γ: 90°
• Cell volume: 2356.19 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes