Information card for entry 7706651

Structure parameters

• Formula: C32 H44 Cl2 Dy N9 O7
• Calculated formula: C32 H44 Cl2 Dy N9 O7
• SMILES: [Dy]12(Cl)(Cl)(Oc3c(C=[N]1NC(N/N=C/c1c(O)cccc1)=[N]2/N=C/c1c(O)cccc1)cccc3)([O]=CN(C)C)[O]=CN(C)C.O=CN(C)C.OC
• Title of publication: A new class of Dy^III-SIMs associated with a guanidine-based ligand.
• Authors of publication: Ali, Basharat; Li, Xiao-Lei; Gendron, Frédéric; Le Guennic, Boris; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5146 - 5153
• a: 12.7035 ± 0.0003 Å
• b: 14.8054 ± 0.0003 Å
• c: 20.1007 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3780.55 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No