Information card for entry 7003885

Structure parameters

• Formula: C44 H68 B3 Nd O5
• Calculated formula: C44 H68 B3 Nd O5
• SMILES: [Nd]12([H][BH2][H]1)([H][BH2][H]2)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cationic rare-earth metal bis(tetrahydridoborato) complexes: direct synthesis, structure and ring-opening polymerisation activity toward cyclic esters
• Authors of publication: Robert, Dominique; Kondracka, Małgorzata; Okuda, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2667 - 2669
• a: 13.033 ± 0.002 Å
• b: 13.516 ± 0.002 Å
• c: 24.968 ± 0.004 Å
• α: 90°
• β: 90.071 ± 0.009°
• γ: 90°
• Cell volume: 4398.2 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No