Information card for entry 1519256

Structure parameters

• Formula: C20 H19 Br Cl6 Cu D2 N3
• Calculated formula: C20 H19 Br Cl6 Cu D2 N3
• Title of publication: catena-((I(1/4)2-3-(Mesityl)-1-((pyrid-2-yl)methyl)imidazol-2-ylidene-C,N)- bromo-copper(i) deuterochloroform solvate)
• Authors of publication: Eastham, G.; Hursthouse, Michael B.; Light, Mark E.; Kleinhenz, S.; Danopoulos, A. A.; Tulloch, A. A. D.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 115
• a: 13.1826 ± 0.0002 Å
• b: 12.8268 ± 0.0002 Å
• c: 16.4122 ± 0.0003 Å
• α: 90°
• β: 105.964 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2668.12 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1755
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No