Information card for entry 7022516

Structure parameters

• Formula: C51 H120 N31 Y3
• Calculated formula: C51 H120 N31 Y3
• SMILES: C1(=[N]2[Y]3(N=C(N(C)C)N(C)C)([N]([Y]2([N]1=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C)=C(N(C)C)N(C)C)[N]1=C(N(C)C)[N](=C(N(C)C)N(C)C)[Y]1([N]3=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C)N(C)C
• Title of publication: Room temperature C-N bond cleavage of anionic guanidinate ligand in rare-earth metal complexes.
• Authors of publication: Zhang, Jie; Yi, Weiyin; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5826 - 5831
• a: 31.01 ± 0.012 Å
• b: 13.292 ± 0.005 Å
• c: 19.176 ± 0.007 Å
• α: 90°
• β: 101.978 ± 0.006°
• γ: 90°
• Cell volume: 7732 ± 5 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: 0.1375
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No