Information card for entry 7022666

Structure parameters

• Formula: C84 H112 N19 O43 Tb6
• Calculated formula: C78 H84 N18 O37 Tb6
• SMILES: [Tb]1234567Oc8c(OC)cccc8C=[N]6N=C6[O]1[Tb]189%10%11%12([O]%13[Tb]%14%15%16%17%18(Oc%19c(OC)cccc%19C=N%17N=C%17[O]%14[Tb]%14%19%20%21([O]%22[Tb]%23%24%25%26%27(Oc%28c(OC)cccc%28C=[N]%26N=C%26[O]%23[Tb]%23([O]3C(=N[N]7=Cc3cccc(OC)c3O2)C(=[N]%23O)C)([O]=C([O]41)C)([O]5C(=[O]8)C)([O]=C([O]%14%24)C)([O]%25C(=[O]%19)C)([O]%11%20)[N](=C%26C)O)Oc1c(OC)cccc1C=[N]%27N=C%22C(=[N]%21O)C)([O]%15C(=[O]9)C)([O]=C([O]%10%16)C)[N](=C%17C)O)Oc1c(OC)cccc1C=[N]%18N=C%13C(=[N]%12O)C)[N](=C6C)O
• Title of publication: Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.
• Authors of publication: Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7781 - 7794
• a: 17.8354 ± 0.0013 Å
• b: 18.4624 ± 0.0014 Å
• c: 20.2003 ± 0.0014 Å
• α: 79.794 ± 0.006°
• β: 68.816 ± 0.005°
• γ: 76.342 ± 0.005°
• Cell volume: 5995.7 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No