Information card for entry 4084119

Structure parameters

• Formula: C41 H48 N4 P Tm
• Calculated formula: C41 H48 N4 P Tm
• SMILES: [C]12(=[C]3([C]4(=[C]5(P2[Tm]261345([n]1ccccc1c1[n]2cccc1)[n]1c(c2[n]6cccc2)cccc1)C(C)(C)C)C)C)C(C)(C)C.c1(ccccc1)C
• Title of publication: Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium
• Authors of publication: Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4100
• a: 10.7289 ± 0.0003 Å
• b: 19.5591 ± 0.0004 Å
• c: 17.042 ± 0.0005 Å
• α: 90°
• β: 92.742 ± 0.001°
• γ: 90°
• Cell volume: 3572.13 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No