Information card for entry 7022515

Structure parameters

• Formula: C36 H63 Dy2 N13
• Calculated formula: C36 H63 Dy2 N13
• SMILES: [Dy]123456([N](=C([N]1=C(N(C)C)N(C)C)N(C)C)[Dy]1789%10%11%12%13%14([N]2=C(N(C)C)[N]1=C(N(C)C)N(C)C)([cH]1[cH]%10[cH]7[cH]8[cH]91)[cH]1[cH]%13[cH]%14[cH]%11[cH]%121)(N=C(N(C)C)N(C)C)[cH]1[cH]3[cH]6[cH]5[cH]41
• 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: 10.048 ± 0.004 Å
• b: 36.093 ± 0.013 Å
• c: 12.195 ± 0.004 Å
• α: 90°
• β: 107.66 ± 0.005°
• γ: 90°
• Cell volume: 4214 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No