Information card for entry 7038680

Structure parameters

• Formula: C106 H137 Lu3 N6
• Calculated formula: C106 H137 Lu3 N6
• SMILES: [Lu]12345([CH3][Lu]678([CH3][Lu]9([N](=C(N9c9c(cccc9C(C)C)C(C)C)c9ccccc9)c9c(cccc9C(C)C)C(C)C)([CH3]36)([CH3]1)[C]48(C)=C5c1ccccc1)[N](=C(N7c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Small molecule activation by mixed methyl/methylidene rare earth metal complexes.
• Authors of publication: Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6641 - 6649
• a: 18.234 ± 0.006 Å
• b: 18.459 ± 0.006 Å
• c: 22.201 ± 0.007 Å
• α: 78.852 ± 0.004°
• β: 81.612 ± 0.005°
• γ: 60.927 ± 0.004°
• Cell volume: 6396 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No