Information card for entry 7006213

Structure parameters

• Formula: C50 H71 Lu N5 O P Si
• Calculated formula: C50 H71 Lu N5 O P Si
• SMILES: [Lu]123([P](c4ccccc4)(c4ccccc4)C=C(N1c1c(cccc1C/C(=N\C(C)C)N3C(C)C)C)c1ccccc1)([O]1CCCC1)[N](=C(N2C(C)C)C[Si](C)(C)C)C(C)C
• Title of publication: C-H activation motivated by N,N'-diisopropylcarbodiimide within a lutetium complex stabilized by an amino-phosphine ligand.
• Authors of publication: Liu, Bo; Yang, Yi; Cui, Dongmei; Tang, Tao; Chen, Xuesi; Jing, Xiabin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4252 - 4254
• a: 11.4181 ± 0.0011 Å
• b: 12.6687 ± 0.0012 Å
• c: 19.722 ± 0.002 Å
• α: 106.954 ± 0.002°
• β: 102.899 ± 0.002°
• γ: 91.243 ± 0.002°
• Cell volume: 2648.4 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No