Information card for entry 4086501

Structure parameters

• Formula: C42 H72 P3 Tm
• Calculated formula: C42 H72 P3 Tm
• SMILES: [Tm]12345678(P9[C]1(=[C]2([C]3(=[C]49C(C)(C)C)C)C)C(C)(C)C)(P1C(=C(C(=C1C(C)(C)C)C)C)C(C)(C)C)P1[C]8(=[C]7([C]6(=[C]51C(C)(C)C)C)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of 1,1′-Diphosphaplumbocenes: Oxidative Ligand Transfer Reactions with Divalent Thulium Complexes
• Authors of publication: Jaroschik, Florian; Momin, Aurélien; Martinez, Agathe; Harakat, Dominique; Ricard, Louis; Le Goff, Xavier Frédéric; Nocton, Grégory
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2032
• a: 19.54 ± 0.001 Å
• b: 11.751 ± 0.001 Å
• c: 18.521 ± 0.001 Å
• α: 90°
• β: 102.993 ± 0.001°
• γ: 90°
• Cell volume: 4143.8 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No