Information card for entry 7038678

Structure parameters

• Formula: C109 H145 N6 Si Y3
• Calculated formula: C109 H145 N6 Si Y3
• SMILES: [Y]1234([CH3][Y]567([CH3][Y]8([N](=C(N8c8c(cccc8C(C)C)C(C)C)c8ccccc8)c8c(cccc8C(C)C)C(C)C)([CH2]35)([CH3]1)[C]46#C[Si](C)(C)C)[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.Cc1ccccc1
• 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: 18.25 ± 0.006 Å
• b: 18.607 ± 0.007 Å
• c: 22.153 ± 0.008 Å
• α: 78.152 ± 0.006°
• β: 79.357 ± 0.005°
• γ: 62 ± 0.005°
• Cell volume: 6467 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No