Information card for entry 7025241

Structure parameters

• Formula: C40 H66 Lu2 N4 O2 Si4
• Calculated formula: C40 H66 Lu2 N4 O2 Si4
• SMILES: [Lu]1234567([N]89[Lu]%10%11%12%13%14(N(C([C]79=[CH]6[CH]5=[CH]48)C[Si](C)(C)C)c4ccccc4[O]%10C)([N]41[CH]%11=[CH]%12[CH]%13=[C]%144C(N2c1ccccc1[O]3C)C[Si](C)(C)C)C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: The behavior of pyrrolyl ligands within the rare-earth metal alkyl complexes. Insertion of C=N and C=O double bonds into Ln-sigma-C bonds.
• Authors of publication: Yang, Yi; Cui, Dongmei; Chen, Xuesi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3959 - 3967
• a: 11.3018 ± 0.0005 Å
• b: 35.7385 ± 0.0017 Å
• c: 12.1937 ± 0.0006 Å
• α: 90°
• β: 90.55 ± 0.001°
• γ: 90°
• Cell volume: 4924.9 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No