Information card for entry 1552337

Structure parameters

• Chemical name: [Tm(Ntt)2][BArF]
• Formula: C61 H86 B Cl2 F20 N2 Si4 Tm
• Calculated formula: C61 H86 B Cl2 F20 N2 Si4 Tm
• Title of publication: Electronic Structures of Bent Lanthanide(III) Complexes with Two N-Donor Ligands
• Authors of publication: Nicholas, Hannah; Vonci, Michele; Goodwin, Conrad Alexander Phillip; Loo, Song Wei; Murphy, Siobhan; Cassim, Daniel; Winpenny, Richard E. P.; McInnes, Eric J. L.; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 16.3084 ± 0.0003 Å
• b: 16.802 ± 0.0004 Å
• c: 25.4751 ± 0.0005 Å
• α: 89.3578 ± 0.0018°
• β: 88.4783 ± 0.0016°
• γ: 88.0167 ± 0.0016°
• Cell volume: 6973.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No