Information card for entry 7107619

Structure parameters

• Formula: C60 H104 Cl2 Dy4 N24 O29
• Calculated formula: C60 H62 Cl2 Dy4 N24 O8
• SMILES: [Dy]1234567[O]8[Dy]9%10%11%12([O]%13[Dy]%14%15%16%17([O]%18[Dy]%19%20%21([O]1C(=N[N]7=C(c1[n]6cccc1)C)N[N]%20=C(C)c1[n]%21cccc1)([OH]%14)([OH]3)[n]1ccccc1C(=[N]%19N=C%18[N-][N]%15=C(C)c1[n]%16cccc1)C)([OH]9)[N](NC%13=N[N]%12=C(c1[n]%11cccc1)C)=C(C)c1[n]%17cccc1)([OH]2)[N](N=C8[N-][N]5=C(c1[n]4cccc1)C)=C(C)c1[n]%10cccc1.[Cl-].[Cl-]
• 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: 17.7717 ± 0.0007 Å
• b: 22.2755 ± 0.0008 Å
• c: 27.8431 ± 0.0019 Å
• α: 110.343 ± 0.008°
• β: 95.225 ± 0.007°
• γ: 106.955 ± 0.008°
• Cell volume: 9655.4 ± 1.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No