Information card for entry 4084118

Structure parameters

• Formula: C38 H56 N2 P2 Tm
• Calculated formula: C38 H56 N2 P2 Tm
• SMILES: [Tm]123456789(P%10[C]2(=[C]3([C]4(=[C]5%10C(C)(C)C)C)C)C(C)(C)C)(P2[C]9(=[C]8([C]7(=[C]62C(C)(C)C)C)C)C(C)(C)C)[n]2ccccc2c2[n]1cccc2
• 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: 10.669 ± 0.001 Å
• b: 16.178 ± 0.001 Å
• c: 21.32 ± 0.001 Å
• α: 90°
• β: 101.734 ± 0.001°
• γ: 90°
• Cell volume: 3603 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No