Information card for entry 4075434

Structure parameters

• Common name: kjc0410
• Formula: C54 H62 N4 Ni2 O9
• Calculated formula: C54 H62 N4 Ni2 O9
• Title of publication: Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior
• Authors of publication: Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4155
• a: 10.7764 ± 0.0001 Å
• b: 16.4619 ± 0.0002 Å
• c: 29.9743 ± 0.0003 Å
• α: 90°
• β: 90.571 ± 0.001°
• γ: 90°
• Cell volume: 5317.18 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No