Information card for entry 7038677

Structure parameters

• Formula: C105 H136 N7 Y3
• Calculated formula: C105 H136 N7 Y3
• SMILES: [Y]123456([CH3][Y]789([CH3][Y]%10([N](=C(N%10c%10c(cccc%10C(C)C)C(C)C)c%10ccccc%10)c%10c(cccc%10C(C)C)C(C)C)([N]37[C]1(=[CH2]5)c1ccccc1)([CH3]48)[CH3]6)[N](=C(N9c1c(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: 59.812 ± 0.017 Å
• b: 15.628 ± 0.005 Å
• c: 23.955 ± 0.007 Å
• α: 90°
• β: 106.042 ± 0.004°
• γ: 90°
• Cell volume: 21520 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1311
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No