Information card for entry 7002761

Structure parameters

• Formula: C29 H43 N P Tl
• Calculated formula: C29 H43 N P Tl
• SMILES: [Tl]P(C(=N\c1c(cccc1C(C)C)C(C)C)/C(C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Azaphosphaallyl anion lithium [ArNC(But)PAr]−Li+(THF)4 and its monomeric potassium and thallium complexes (Ar = 2, 6-iPr2C6H3)
• Authors of publication: Li, Xiaofei; Song, Haibin; Cui, Chunming
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9728 - 9730
• a: 14.442 ± 0.003 Å
• b: 10.787 ± 0.002 Å
• c: 18.31 ± 0.004 Å
• α: 90°
• β: 103.105 ± 0.004°
• γ: 90°
• Cell volume: 2778.2 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No