Information card for entry 4308943

Structure parameters

• Formula: C33 H58 Cl2 N4 Ni2 O2
• Calculated formula: C33 H58 Cl2 N4 Ni2 O2
• Title of publication: Oxygen-Induced Ligand Dehydrogenation of a Planar Bis-μ-Chloronickel(I) Dimer Featuring an NHC Ligand
• Authors of publication: Benjamin R. Dible; Matthew S. Sigman; Atta M. Arif
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3774 - 3776
• a: 20.2751 ± 0.0003 Å
• b: 17.5959 ± 0.0002 Å
• c: 21.3441 ± 0.0003 Å
• α: 90°
• β: 94.136 ± 0.0007°
• γ: 90°
• Cell volume: 7594.86 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0689
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No