Information card for entry 7119716

Structure parameters

• Formula: C56 H68 Gd2 N2 O2
• Calculated formula: C56 H68 Gd2 N2 O2
• SMILES: [Gd]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]=C2c3ccccc3N3[Gd]456789%10%11([c]%12([c]4([c]5([c]6([c]7%12C)C)C)C)C)([c]4([c]8([c]9([c]%10([c]%114C)C)C)C)C)[O]=C4c5c(N1C4=C23)cccc5
• 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: 12.2316 ± 0.0003 Å
• b: 20.292 ± 0.0006 Å
• c: 19.8739 ± 0.0006 Å
• α: 90°
• β: 98.545 ± 0.002°
• γ: 90°
• Cell volume: 4878 ± 0.2 ų
• Cell temperature: 150.01 ± 0.11 K
• Ambient diffraction temperature: 150.01 ± 0.11 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: 0.0564
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No