Information card for entry 4345633

Structure parameters

• Common name: Tmtrenovan
• Formula: C30 H33 N4 O6 Tm
• Calculated formula: C30 H33 N4 O6 Tm
• Title of publication: Electronic Structure and Magnetic Anisotropy in Lanthanoid Single-Ion Magnets with C3 Symmetry: The Ln(trenovan) Series.
• Authors of publication: Lucaccini, Eva; Baldoví, José J; Chelazzi, Laura; Barra, Anne-Laure; Grepioni, Fabrizia; Costes, Jean-Pierre; Sorace, Lorenzo
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4729 - 4739
• a: 14.0011 ± 0.0001 Å
• b: 14.0011 ± 0.0001 Å
• c: 8.3472 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1417.08 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Goodness-of-fit parameter for all reflections: 1.95
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54175 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No