Information card for entry 7103231

Structure parameters

• Formula: C102 H116 N12 O22 Tb4
• Calculated formula: C102 H108 N12 O22 Tb4
• SMILES: c12ccccc1C=[N]1CC[N]3=Cc4c(O[Tb]567813[N](=Cc1c([O]7[Tb]379%10([N](=Cc%11c(O7)cccc%11)CC[N]3=Cc3ccccc3[O]9[Tb]379%11([N](=Cc%12c(O9)cccc%12)CC[N]3=Cc3ccccc3[O]%10%11)[O]3c9ccccc9C=[N]9CC[N]%10=Cc%11ccccc%11O[Tb]%11%12%1339%10[N](=Cc3c([O]7%12)cccc3)CC[N]%11=Cc3ccccc3O%13)[O]26)cccc1)CC[N]5=Cc1ccccc1O8)cccc4.OC.OC.OC.O.O.OC.OC.OC.O.O
• 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: 13.537 ± 0.002 Å
• b: 14.101 ± 0.003 Å
• c: 15.774 ± 0.003 Å
• α: 69.31 ± 0.03°
• β: 78.51 ± 0.02°
• γ: 63.05 ± 0.03°
• Cell volume: 2508.1 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No