Information card for entry 7103234

Structure parameters

• Formula: C50 H52 Cl2 N6 Nd2 O8
• Calculated formula: C50 H52 Cl2 N6 Nd2 O8
• SMILES: c12c(cccc2)C=[N]2[Nd]3([N](=Cc4ccccc4O3)CC2)(O1)([OH]C)(Cl)[OH]c1ccccc1/C=N/CC/N=C/c1c(cccc1)[OH][Nd]123([N](=Cc4c(cccc4)O2)CC[N]1=Cc1ccccc1O3)([OH]C)Cl
• Title of publication: Anion dependant self-assembly and the first X-ray structure of a neutral homoleptic lanthanide salen complex Tb4(salen)6.
• Authors of publication: Yang, Xiaoping; Jones, Richard A; Wong, Wai-Kwok
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3266 - 3268
• a: 13.124 ± 0.003 Å
• b: 10.173 ± 0.002 Å
• c: 19.757 ± 0.004 Å
• α: 90°
• β: 104.76 ± 0.03°
• γ: 90°
• Cell volume: 2550.7 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No