Information card for entry 4072261

Structure parameters

• Formula: C23 H21 F12 N9 Ni2 O P2
• Calculated formula: C23 H21 F12 N9 Ni2 O P2
• SMILES: [Ni]123=C4N(Cc5n2[n]2[Ni]6(=C7N(Cc2c5)C=CN7c2[n]6cccc2)[OH]1)C=CN4c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides
• Authors of publication: Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5911
• a: 8.0204 ± 0.001 Å
• b: 13.7196 ± 0.0015 Å
• c: 14.9468 ± 0.0018 Å
• α: 109.605 ± 0.009°
• β: 96.764 ± 0.001°
• γ: 101.033 ± 0.01°
• Cell volume: 1491 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No