Information card for entry 7022667

Structure parameters

• Common name: (Et3NH)(Dy6(L4)6(OAc)6)*9CH3OH*7H2O
• Formula: C93 H150 Dy6 N19 O53
• Calculated formula: C85 H104 Dy6 N19 O38
• SMILES: [Dy]1234567[O]8[Dy]9%10%11%12%13%14([O]%15[Dy]%16%17%18%19([O]%20[Dy]%21%22%23%24%25([O]([Dy]%26%27%28%29%15([O]=C%20C)([O]([Dy]%15%20%30%31([O]%10C(=[O]%26)C)(Oc%10c(OC)cccc%10C=[N]%30N=C([O]%27%15)C(=[N]%28O)C)Oc%10c(OC)cccc%10C=[N]%31N=C([O]%12%20)C(=[N]%13O)C)C(=[O]9)C)[O]%23C(=N[N]%25=Cc9cccc(OC)c9O%22)C(=[N]%29O)C)C(=[O]%16)C)Oc9c(OC)cccc9C=[N]%24N=C([O]%17%21)C(=[N]%18O)C)([O]=C8C)([O]1C(=[O]%11)C)[O]5C(=N[N]7=Cc1cccc(OC)c1O4)C(=[N]%19O)C)[O]3C(=N[N]6=Cc1cccc(OC)c1O2)C(=[N]%14O)C.OC.[NH+](CC)(CC)CC
• 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: 17.738 ± 0.0017 Å
• b: 18.4019 ± 0.0017 Å
• c: 20.0747 ± 0.0019 Å
• α: 79.481 ± 0.001°
• β: 68.918 ± 0.001°
• γ: 76.306 ± 0.001°
• Cell volume: 5905.9 ± 1 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No