Information card for entry 4122981

Structure parameters

• Formula: C36 H56 Cl N2 P
• Calculated formula: C36 H56 Cl N2 P
• SMILES: C(C(=N\c1c(C(C)C)cccc1C(C)C)/C(C)(C)C)P(C/C(=N\c1c(C(C)C)cccc1C(C)C)C(C)(C)C)Cl
• Title of publication: Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.
• Authors of publication: Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141119074650008
• a: 15.829 ± 0.008 Å
• b: 12.119 ± 0.006 Å
• c: 19.547 ± 0.01 Å
• α: 90°
• β: 113.612 ± 0.006°
• γ: 90°
• Cell volume: 3436 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No