Information card for entry 7025242

Structure parameters

• Formula: C80 H96 Lu2 N4 O4 Si4
• Calculated formula: C80 H96 Lu2 N4 O4 Si4
• SMILES: C[O]1c2ccccc2N2[Lu]345671([n]18[cH]9[cH]%10[cH]%11[c]1([C@H]2C[Si](C)(C)C)[Lu]1289%10%11(N(c8c(cccc8)[O]2C)[C@@H]([c]26[cH]5[cH]4[cH]3[n]712)C[Si](C)(C)C)OC(c1ccccc1)(c1ccccc1)C[Si](C)(C)C)OC(c1ccccc1)(c1ccccc1)C[Si](C)(C)C.c1ccccc1C.c1ccccc1C.C[O]1c2ccccc2N2[Lu]345671([n]18[cH]9[cH]%10[cH]%11[c]1([C@@H]2C[Si](C)(C)C)[Lu]1289%10%11(N(c8c(cccc8)[O]2C)[C@H]([c]26[cH]5[cH]4[cH]3[n]712)C[Si](C)(C)C)OC(c1ccccc1)(c1ccccc1)C[Si](C)(C)C)OC(c1ccccc1)(c1ccccc1)C[Si](C)(C)C.c1ccccc1C.c1ccccc1C
• 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: 25.9197 ± 0.0009 Å
• b: 14.7975 ± 0.0005 Å
• c: 21.2559 ± 0.0007 Å
• α: 90°
• β: 104.819 ± 0.001°
• γ: 90°
• Cell volume: 7881.5 ± 0.5 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No