Information card for entry 4084117

Structure parameters

• Formula: C42 H64 P4 Tm
• Calculated formula: C42 H64 P4 Tm
• SMILES: [p]12c(c3[p](cc(c(c3)C)C)[Tm]3456789%102(P2[C]3(=[C]4([C]5(=[C]62C(C)(C)C)C)C)C(C)(C)C)P2[C]7(C(C)(C)C)=[C]8([C]%10(C)=[C]92C(C)(C)C)C)cc(c(c1)C)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: 18.1927 ± 0.0005 Å
• b: 11.5425 ± 0.0003 Å
• c: 20.4504 ± 0.0006 Å
• α: 90°
• β: 108.009 ± 0.002°
• γ: 90°
• Cell volume: 4084 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No