Information card for entry 7130669

Structure parameters

• Formula: C46 H81 Dy3 O3
• Calculated formula: C46 H81 Dy3 O3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Dy]1672345([CH3][Dy]234589([c]%10([c]2([c]3([c]4([c]5%10C)C)C)C)C)([CH3][Dy]2345([c]%10([c]4([c]3([c]2([c]5%10C)C)C)C)C)([CH3]6)([CH2]78)([O]2CCCC2)[H]19)[O]1CCCC1)[O]1CCCC1)C)C)C)C
• Title of publication: Rare-earth-metal half-sandwich complexes incorporating methyl, methylidene, and hydrido ligands.
• Authors of publication: Buschmann, Dennis A.; Schumacher, Lion; Anwander, Reiner
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 65
• Pages of publication: 9132 - 9135
• a: 11.3103 ± 0.0007 Å
• b: 11.9001 ± 0.0007 Å
• c: 21.1333 ± 0.0012 Å
• α: 97.942 ± 0.002°
• β: 91.931 ± 0.002°
• γ: 114.983 ± 0.002°
• Cell volume: 2540.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No