Information card for entry 7122495

Structure parameters

• Formula: C20 H20 Cl I N4
• Calculated formula: C20 H20 Cl I N4
• Title of publication: Site-selective metallation of dicarbene precursors.
• Authors of publication: Bente, Stefanie; Kampert, Florian; Tan, Tristan T. Y.; Hahn, F. Ekkehardt
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 91
• Pages of publication: 12887 - 12890
• a: 14.0786 ± 0.0002 Å
• b: 11.8861 ± 0.0002 Å
• c: 11.9437 ± 0.0002 Å
• α: 90°
• β: 96.767 ± 0.001°
• γ: 90°
• Cell volume: 1984.73 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No