Information card for entry 1552335

Structure parameters

• Formula: C36 H84 Cl N2 Si4 Tm
• Calculated formula: C36 H84 Cl N2 Si4 Tm
• SMILES: [Tm](Cl)(N([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
• 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: 15.8309 ± 0.0004 Å
• b: 13.1077 ± 0.0003 Å
• c: 22.5379 ± 0.0006 Å
• α: 90°
• β: 109.043 ± 0.003°
• γ: 90°
• Cell volume: 4420.8 ± 0.2 ų
• Cell temperature: 100 ± 0.02 K
• Ambient diffraction temperature: 100 ± 0.02 K
• Number of distinct elements: 6
• 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: 0.021
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No