Information card for entry 7107620

Structure parameters

• Formula: C60 H108 Dy4 N36 O30
• Calculated formula: C60 H58 Dy4 N36 O5
• SMILES: [Dy]12345678[O]9[Dy]%10%11%12%13%14([O]%15[Dy]%16%17%18%19%20([O]%21[Dy]%22%23%24([O]1C(=N[N]6=C(c1[n]5cccc1)C)[N-][N]%23=C(C)c1[n]%24cccc1)([O]2%10%16)([n]1ccccc1C(=[N]%22N=C%21N[N]%17=C(C)c1[n]%18cccc1)C)([N]%20=N#N)[N]8=N#N)([N]([N-]C%15=N[N]%13=C(c1[n]%12cccc1)C)=C(C)c1[n]%19cccc1)[N]%14=N#N)([N](NC9=N[N]4=C(c1[n]3cccc1)C)=C(C)c1[n]%11cccc1)[N]7=N#N
• Title of publication: Predictable self-assembled [2 ? 2] Ln(III)4 square grids (Ln = Dy,Tb)-SMM behaviour in a new lanthanide cluster motif
• Authors of publication: Muhammad Usman Anwar; Laurence Kenneth Thompson; Louise Nicole Dawe; Fatemah Habib; Muralee Murugesu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4576
• a: 19.806 ± 0.009 Å
• b: 20.037 ± 0.009 Å
• c: 27.326 ± 0.015 Å
• α: 84.31 ± 0.03°
• β: 86.78 ± 0.02°
• γ: 71.967 ± 0.018°
• Cell volume: 10257 ± 9 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: 0.1357
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.3069
• Weighted residual factors for all reflections included in the refinement: 0.3419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No