Information card for entry 4080184

Structure parameters

• Formula: C26 H54 La2 N8
• Calculated formula: C26 H54 La2 N8
• SMILES: [CH2]1=[CH]2[La]34561(C2)[N]1(CC[N]4(CCN5CC[N]6(CC1)C)C)[La]12456([CH2]=[CH]1C2)[N]13CC[N]4(CCN5CC[N]6(CC1)C)C
• Title of publication: Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand
• Authors of publication: Cui, Peng; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1176
• a: 17.8105 ± 0.0018 Å
• b: 17.8105 ± 0.0018 Å
• c: 9.7851 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No