Information card for entry 4072260

Structure parameters

• Formula: C23 H22 F12 N8 Ni2 O P2
• Calculated formula: C23 H22 F12 N8 Ni2 O P2
• SMILES: [Ni]123[OH][Ni]45[n]6n1c(CN1C=3N(C=C1)Cc1[n]2cccc1)cc6CN1C=4N(C=C1)Cc1[n]5cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 15.508 ± 0.002 Å
• b: 7.7234 ± 0.0016 Å
• c: 32.033 ± 0.003 Å
• α: 90°
• β: 114.543 ± 0.004°
• γ: 90°
• Cell volume: 3490.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No