Information card for entry 4114667

Structure parameters

• Formula: C29 H65 F3 N4 O3 P2 S Si
• Calculated formula: C29 H65 F3 N4 O3 P2 S Si
• SMILES: C1([Si](C)(C)C)=P([P+]1(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(N(C(C)C)C(C)C)N(C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Rearrangement of Diphosphorus Analogues of Amidinium Salts
• Authors of publication: Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Wolfgang W. Schoeller; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2506 - 2512
• a: 15.031 ± 0.002 Å
• b: 10.218 ± 0.001 Å
• c: 24.906 ± 0.003 Å
• α: 90°
• β: 100.99 ± 0.01°
• γ: 90°
• Cell volume: 3755.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No