Information card for entry 7054135

Structure parameters

• Formula: C8 H20 Cu2 I3 N
• Calculated formula: C8 H20 Cu2 I3 N
• Title of publication: Enantioselective catalysts for the Henry reaction: fine-tuning the catalytic components
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Woggon, Wolf-D.; Zampese, Jennifer A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2166
• a: 8.4552 ± 0.0002 Å
• b: 17.3368 ± 0.0004 Å
• c: 10.8328 ± 0.0002 Å
• α: 90°
• β: 95.462 ± 0.001°
• γ: 90°
• Cell volume: 1580.73 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0271
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for all reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0167
• Weighted residual factors for all reflections included in the refinement: 0.0162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No