Information card for entry 4076747

Structure parameters

• Formula: C20 H24 Br2 N6 Ni O3
• Calculated formula: C20 H18 Br2 N6 Ni O3
• Title of publication: Synthesis and Characterization of a Saddle-Shaped Nickel−Carbene Complex Derived from an Imidazolium-Linkedmeta-Cyclophane
• Authors of publication: Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2674
• a: 7.795 ± 0.0007 Å
• b: 13.571 ± 0.001 Å
• c: 20.789 ± 0.002 Å
• α: 90°
• β: 94.538 ± 0.002°
• γ: 90°
• Cell volume: 2192.3 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• 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: 0.101
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections: 1.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No