Information card for entry 4076717

Structure parameters

• Formula: C8 H20 Cl3 Nd O4
• Calculated formula: C8 H20 Cl3 Nd O4
• SMILES: [Nd]12([O](C)CC[O]1C)([O](CC[O]2C)C)(Cl)(Cl)Cl
• Title of publication: Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†
• Authors of publication: Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1136
• a: 11.6525 ± 0.0005 Å
• b: 8.9999 ± 0.0004 Å
• c: 15.7359 ± 0.0007 Å
• α: 90°
• β: 105.304 ± 0.001°
• γ: 90°
• Cell volume: 1591.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No