Information card for entry 1514807

Structure parameters

• Formula: C10 H20 Cl2 N4 Ni
• Calculated formula: C10 H20 Cl2 N4 Ni
• SMILES: [Ni](=C1N(CCN1C)C)(Cl)(Cl)=C1N(CCN1C)C
• 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: 8.0672 ± 0.0011 Å
• b: 13.6398 ± 0.0012 Å
• c: 12.88 ± 0.002 Å
• α: 90°
• β: 100.756 ± 0.013°
• γ: 90°
• Cell volume: 1392.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No