Information card for entry 4305447

Structure parameters

• Formula: C32 H76 Cl4 Li4 O4 P4
• Calculated formula: C32 H76 Cl4 Li4 O4 P4
• SMILES: [Li]12([O]=P(C(C)(C)C)C(C)(C)C)[Cl]3[Li]4([O]=P(C(C)(C)C)C(C)(C)C)[Cl]1[Li]1([O]=P(C(C)(C)C)C(C)(C)C)[Cl]2[Li]3([O]=P(C(C)(C)C)C(C)(C)C)[Cl]14
• Title of publication: Bulky N-Substituted 1,3-Benzazaphospholes: Access via Pd-Catalyzed C-N and C-P Cross Coupling, Lithiation, and Conversion to Novel P=C-PtBu2 Hybrid Ligands
• Authors of publication: Bhaskar Reddy Aluri; Markus K. Kindermann; Peter G. Jones; Ina Dix; Joachim Heinicke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6900 - 6912
• a: 13.7123 ± 0.0004 Å
• b: 26.3955 ± 0.0008 Å
• c: 26.7143 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9669.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No