Information card for entry 1514808

Structure parameters

• Formula: C6 H13 Cl2 N2 P
• Calculated formula: C6 H13 Cl2 N2 P
• SMILES: C1(N(CCN1C)C)=P(C)(Cl)Cl
• Title of publication: (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
• Authors of publication: Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 77
• a: 7.768 ± 0.002 Å
• b: 12.985 ± 0.003 Å
• c: 19.423 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1959.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No