Information card for entry 4118895

Structure parameters

• Common name: (C5Me5)2Dy(BPh4)*C7H8
• Formula: C51 H58 B Dy
• Calculated formula: C51 H58 B Dy
• SMILES: [Dy]123456789([CH]%10=CC=CC=C%10[B](C%10=[CH]1C=CC=C%10)(c1ccccc1)c1ccccc1)([c]1([c]3(C)[c]7([c]8([c]41C)C)C)C)[c]1([c]2(C)[c]9([c]5([c]61C)C)C)C.c1ccccc1C
• Title of publication: Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes
• Authors of publication: Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18546 - 18549
• a: 11.1325 ± 0.0004 Å
• b: 28.0382 ± 0.0008 Å
• c: 13.2787 ± 0.0005 Å
• α: 90°
• β: 98.017 ± 0.001°
• γ: 90°
• Cell volume: 4104.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.016
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No