Information card for entry 7022517

Structure parameters

• Formula: C36 H56 N10 Y2
• Calculated formula: C36 H56 N10 Y2
• SMILES: [Y]123456789%10([N]([Y]%11%12%13%14%15%16%17%18%19([N]2=C([N]%19=C(N(C)C)N(C)C)N(C)C)([cH]2[cH]%11[cH]%12[cH]%13[cH]%142)[cH]2[cH]%17[cH]%16[cH]%18[cH]%152)=C([N]1=C(N(C)C)N(C)C)N(C)C)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]9[cH]8[cH]%10[cH]71
• 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: 15.003 ± 0.006 Å
• b: 12.179 ± 0.005 Å
• c: 21.055 ± 0.008 Å
• α: 90°
• β: 95.119 ± 0.005°
• γ: 90°
• Cell volume: 3832 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No