Information card for entry 7131847

Structure parameters

• Formula: C13 H25 B2 La O
• Calculated formula: C13 H25 B2 La O
• SMILES: [La]123456789%10%11%12([O]%13CCCC%13)([CH]%13=[CH]1[CH]4=[CH]8[CH]7=[CH]6C3[CH]5=[CH]2%13)([H][BH]([H]9)[H]%10)[H][BH]([H]%12)[H]%11
• Title of publication: Mono-cyclononatetraenyl lanthanide complexes.
• Authors of publication: Münzfeld, Luca; Hauser, Adrian; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 8.4353 ± 0.0005 Å
• b: 7.2384 ± 0.0003 Å
• c: 25.9862 ± 0.0015 Å
• α: 90°
• β: 93.184 ± 0.005°
• γ: 90°
• Cell volume: 1584.22 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No