Information card for entry 4327968

Structure parameters

• Formula: C44 H46 Li N2 O2 P3
• Calculated formula: C44 H46 Li N2 O2 P3
• SMILES: [Li]1([N](P(c2ccccc2)c2ccccc2)=P(N1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: The Intramolecular Rearrangement of Phosphinohydrazides [R'2P-NR-NR-M] →[RN=PR'2-NR-M]: General Rules and Exceptions. Transformations of Bulky Phosphinohydrazines (R-NH-N(PPh2)2, R =tBu, Ph2P)
• Authors of publication: Alexander N. Kornev; Vyacheslav V. Sushev; Yulia S. Panova; Natalia V. Belina; Olga V. Lukoyanova; Georgy K. Fukin; Sergey Y. Ketkov; Gleb A. Abakumov; Peter Lönnecke; Evamarie Hey-Hawkins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 874 - 881
• a: 10.0645 ± 0.0003 Å
• b: 25.9844 ± 0.0009 Å
• c: 15.3793 ± 0.0005 Å
• α: 90°
• β: 101.985 ± 0.001°
• γ: 90°
• Cell volume: 3934.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No