Information card for entry 4117726

Structure parameters

• Formula: C18 H22 Cl2 N2 P2
• Calculated formula: C18 H22 Cl2 N2 P2
• SMILES: P(Cl)(N(P1Cl)c2c(cc(cc2C)C)C)N1c1c(cc(cc1C)C)C
• Title of publication: Synthesis, Reactivity, and Computational Analysis of Halophosphines Supported by Dianionic Guanidinate Ligands
• Authors of publication: Allison L. Brazeau; Mikko M. Hänninen; Heikki M. Tuononen; Nathan D. Jones; Paul J. Ragogna
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 5398 - 5414
• a: 7.5319 ± 0.0015 Å
• b: 15.796 ± 0.003 Å
• c: 8.8077 ± 0.0018 Å
• α: 90°
• β: 109.64 ± 0.03°
• γ: 90°
• Cell volume: 986.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No