Information card for entry 4306046

Structure parameters

• Formula: C11 H18 N7 Nd O12
• Calculated formula: C11 H18 N7 Nd O12
• SMILES: [Nd]1234(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([OH]C)([OH]C)[n]1c(nccc1)c1[n]4cccn1.OC
• Title of publication: Structural Diversity in Neodymium Bipyrimidine Compounds with Near Infrared Luminescence: from Mono- and Binuclear Complexes to Metal-Organic Frameworks
• Authors of publication: Gaël Zucchi; Olivier Maury; Pierre Thuéry; Michel Ephritikhine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10398 - 10406
• a: 8.3511 ± 0.0007 Å
• b: 15.6224 ± 0.0009 Å
• c: 16.0769 ± 0.0013 Å
• α: 90°
• β: 105.005 ± 0.004°
• γ: 90°
• Cell volume: 2025.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No