Information card for entry 7119717

Structure parameters

• Formula: C56 H68 Dy2 N2 O2
• Calculated formula: C56 H68 Dy2 N2 O2
• SMILES: [Dy]123456789([c]%10([c]2([c]3([c]4([c]5%10C)C)C)C)C)([c]2([c]6([c]7([c]8([c]92C)C)C)C)C)[O]=C2C3N(c4c2cccc4)[Dy]2456789%10([c]%11([c]4([c]5([c]6([c]2%11C)C)C)C)C)([c]2([c]8([c]9([c]%10([c]72C)C)C)C)C)[O]=C2c4c(N1C=32)cccc4
• Title of publication: Strong direct exchange coupling and single-molecule magnetism in indigo-bridged lanthanide dimers.
• Authors of publication: Guo, Fu-Sheng; Layfield, Richard A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 3130 - 3133
• a: 12.1568 ± 0.0003 Å
• b: 20.2075 ± 0.0004 Å
• c: 19.9643 ± 0.0005 Å
• α: 90°
• β: 98.553 ± 0.002°
• γ: 90°
• Cell volume: 4849.9 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No